https://icme.hpc.msstate.edu/mediawiki/api.php?action=feedcontributions&user=Ddrake&feedformat=atomEVOCD - User contributions [en]2020-01-20T10:10:20ZUser contributionsMediaWiki 1.19.1https://icme.hpc.msstate.edu/mediawiki/index.php/ICME_2017_HW4ICME 2017 HW42017-04-23T15:55:21Z<p>Ddrake: /* Overview */ Group 1 Contribution. The acronym was not defined for ISV.</p>
<hr />
<div>[[ICME 2017|< Back to ICME 2017 Course Overview]]<br />
<br />
=Overview=<br />
<br />
In this homework, we will bridge information from grains to the continuum point, ie. from the [[:Category:Mesoscale|mesoscale]] to the [[:Category:Macroscale|macroscale]]. There are two parts:<br />
<br />
* Crystal Plasticity (CP) using Abaqus or Calculix and a user developed Crystal Plasticity Finite Element Method (CPFEM)<br />
* MSU Internal State Variable (ISV) Plasticity-Damage Model via [[Code: DMG|DMGfit]] and Abaqus or Calculix<br />
<br />
We will get the polycrystal stress-strain response from the crystal plasticity code, and use that to calibrate the continuum model. <br />
<br />
All necessary input files and scripts are provided on the website, except the MSU ISV Plasticity-Damage model which will be provided via email. Move these files to your own directory (and make a backup copy) before trying to perform any simulations.<br />
<br />
Use /scratch/"Your Directory" for best results.<br />
<br />
Write a full report that follows a journal article manuscript format (include figures and tables in the text). '''Please double-space your document'''<br />
<br />
Upon completion, submit via email a .pdf and .doc(x) file. Be sure to also include the requested files and plots from each section of the homework.<br />
<br />
=Part 1 - Crystal Plasticity Virtual Experiment=<br />
<br />
==Objectives==<br />
* Run a multigrain crystal plasticity single finite element simulation<br />
<br />
==Environment Setup==<br />
<br />
The setup for CPFEM is the same as in the [[ICME 2017 HW3|previous homework]] with one exception. Instead of using a single grain as previously, you will want to use at least 180 grains. You will need to modify the <code>test.xtali</code> and <code>texture.txti</code> input files, as well as the <code>*DEPVAR</code> variable in the single-element input deck appropriately.<br />
<br />
==Homework Assignment==<br />
<br />
:a. Run a one element finite element simulation in compression, tension, and torsion using crystal plasticity. Use a minimum of 180 grains to plot the stress-strain curves that will be used for calibrating the macroscale model.<br />
<br />
:b. Plot stress-strain curves for compression, tension, and torsion using an average of the polycrystalline aggregate from the three hardening sets determined in HW3.<br />
<br />
:c. Report your results.<br />
<br />
=Part 2 - Internal State Variable Model=<br />
<br />
==Objectives==<br />
<br />
* Calibrate the macroscale Internal State Variable (ISV) model<br />
* Run a one element finite simulation to verify the calibration<br />
<br />
==Environment Setup==<br />
<br />
* You will need the calibration software: [[DMGfit 55p v1p1 |DMGfit]].<br />
* You will also need the DMG UMAT (similar to the crystal plasticity umat). You should receive this from me by email.<br />
<br />
<br />
==ISV Model Calibration using DMGfit==<br />
<br />
Calibrate the ISV model to the stress-strain data you obtained from Part 1.<br />
<br />
* Use the compression, tension, and torsion curves<br />
* You should only need the parameters for yield, isotropic hardening, and stress state dependence on the hardening.<br />
<br />
There is a tutorial video [https://www.youtube.com/watch?v=6VMMCSZVyXo here], and tutorial files [[File:DMGfit-Tutorial.zip |here]].<br />
<br />
<br />
==Single Element Simulation with the ISV Model==<br />
<br />
Once you have your model constants, transfer them into your single element Abaqus input file. <br />
You can use the same input file as in Part 1, except change the material section to something like the following:<br />
<pre><br />
*** Material Definition ***<br />
*Material, Name=DMG_Cu<br />
*Depvar<br />
25,<br />
** G, a, Bulk, b, Tmelt, C1, C2, C3 <br />
** C4, C5, C6, C7, C8, C9, C10, C11 <br />
** C12, C13, C14, C15, C16, C17, C18, C19 <br />
** C20, Ca, Cb, Tinit, heat, nv, r0, an <br />
** bn, cn, Ccoef, Kic, dn, fn, cd1, cd2 <br />
** dcs0, dcs, Z, volF, C21, C22, C23, C24 <br />
** C25, C26, NTD, CTD, vvfr4, CAcon, beta <br />
*USER MATERIAL, CONSTANTS=55<br />
40953.1, 0, 116773, 0, 1360, 0, 0, 33.3 <br />
0, 1e-05, 0, 0.0502077, 809.219, 476.789, 0.582468, 1e-05 <br />
0, 0.0587402, 0, 1596.01, 0, 4.99468e-05, 0, 0 <br />
0, 0, 0, 298.15, 0.26, 0.3, 0, 0 <br />
0, 0, 0, 790, 0, 0.001, 0, 0 <br />
30, 30, 0, 0, 0, 0, 0, 0 <br />
0, 0, 0, 0, 0.0001, 0.5, 0 <br />
*Solid Section, Elset=Eall, Material=DMG_Cu<br />
</pre><br />
<br />
The lines beginning with <code>**</code> are comments and show you what each constant refers to in the list below.<br />
<br />
Run the ISV simulation similarly to the crystal plasticity simulation,<br />
<pre><br />
abaqus job=single_element user=umat_dmg_55p_v1p1.f <br />
</pre><br />
<br />
==Homework Assignment==<br />
<br />
:a. Use [[Code: DMG|DMGfit]] to calibrate the MSU ISV Plasticity-Damage Model to the mesoscale polycrystalline plasticity stress-strain curve for your material (see Figure 9.17 pg 401 in textbook). Plot all three stress-strain curves comparing the crystal plasticity results to the plasticity-damage ISV calibration results.<br />
<br />
:b. Run a one element simulation in ABAQUS with the DMG UMAT to verify the results from Part 1. <br />
::* Modify the input decks for compression, tension, and shear to reflect the calibrated parameters determined using DMGfit<br />
<br />
:c. Compare stress-strain results from the plasticity-damage ISV calibration to the verification results from the ABAQUS single finite element simulation.<br />
<br />
:d. Show the macroscale ISV constants and uncertainty values in the optimization of the calibration.<br />
<br />
:e. Report your results.<br />
<br />
=3. Room for Improvement=<br />
As with the previous homeworks, improve the tutorial(s) by adding/modifying the ICME website for:<br />
:1. Crystal Plasticity<br />
:2. MSU ISV Plasticity-Damage Model</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/Creep_characterization_of_vapor-grown_carbon_nanofiber/vinyl_ester_nanocomposites_using_a_response_surface_methodologyCreep characterization of vapor-grown carbon nanofiber/vinyl ester nanocomposites using a response surface methodology2017-04-12T15:43:14Z<p>Ddrake: </p>
<hr />
<div>{{template:Research_Paper<br />
<br />
|abstract= <br />
[[Image:CCD_Design.jpg|thumb|300px|right| Central Composite Design. ]]<br />
The effects of selected factors such as vapor-grown carbon nanofiber (VGCNF) weight fraction, applied stress, and temperature<br />
on the viscoelastic responses (creep strain and creep compliance) of VGCNF/vinyl ester (VE) nanocomposites were studied<br />
using a central composite design (CCD). Nanocomposite test articles were fabricated by high-shear mixing, casting, curing, and post curing in an open-face mold under a nitrogen environment. Short-term creep/creep recovery experiments were conducted at prescribed combinations of temperature (23.8–69.2C), applied stress (30.2–49.8 MPa), and VGCNF weight fraction (0.00–1.00 parts of VGCNF per hundred parts of resin) determined from the CCD. Response surface models (RSMs) for predicting these viscoelastic responses were developed using the least squares method and an analysis of variance procedure. The response surface estimates indicate that increasing the VGCNF weight fraction marginally increases the creep resistance of the VGCNF/VE nanocomposite at low temperatures (i.e., 23.8–46.5C). However, increasing the VGCNF weight fraction decreased the creep resistance of these nanocomposites for temperatures greater than 50C. The latter response may be due to a decrease in the nanofiber-to-matrix adhesion as the temperature is increased. The RSMs for creep strain and creep compliance revealed the interactions between the VGCNF weight fraction, stress, and temperature on the creep behavior of thermoset polymer nanocomposites. The design of experiments approach is useful in revealing interactions between selected factors, and thus can facilitate the development of more physics-based models.<br />
<br />
|authors= Daniel A. Drake, Rani W. Sullivan, Thomas E. Lacy, Charles U. Pittman, Jr., Hossein Toghiani, Janice L. DuBien, Sasan Nouranian, Jutima Simsiriwong<br />
<br />
Corresponding Author: [Sullivan@ae.msstate.edu Rani W. Sulivan, Ph.D.]<br />
<br />
|material model= Use a central composite design of experiments approach ([[Metamodeling]]) to determine the viscoelastic behavior of vinyl ester nanocomposites.<br />
<br />
|input deck= Simulations are not required as this paper is purely experimental.<br />
<br />
|animation=<br />
<br />
|images=<br />
{{paper_figure|image=Stages_Of_Creep.jpg|image caption=Figure 1. Stages of Creep.}}<br />
<br />
|methodology= To model the viscoelastic behavioral response of the nanocomposites, creep experiments were performed at varying stress levels and temperatures. The creep strain and compliance were modeled using a Prony series representation in conjunction with the Boltzmann superposition principle (BSP). Creep strains and creep compliances were selected at varying times and modeled using a central composite design of experiments approach. This design of experiments approach allowed for the development of response surface models of the creep compliance and creep strain. These are seen in the images below<br />
<br />
|results= <br />
<table width="100%" cellspacing="3" cellpadding="5"><br />
<tr><br />
<td colspan="2"> The creep strain and creep compliance as a function of the vapor-grown carbon nanofiber (VGCNF) weight fraction and temperature are shown below.<br />
</td><br />
</tr><br />
<tr><br />
<td align="center"><br />
<table><br />
<tr><br />
<td> [[Image:Creep_Strain_3D.jpg|thumb|500px| Creep Compliance as a Function of Temperature and VGCNF Weight Fraction.]]</td><br />
<td> [[Image:Creep_Compliance_3D.jpg|thumb|500px| Creep Strain as a Function of Temperature and VGCNF Weight Fraction.]]</td><br />
</tr><tr><br />
</tr><br />
</table><br />
</td><br />
<td valign="top"><br />
</td><br />
</tr><br />
</table><br />
<br />
<br />
<br />
<br />
|acknowledgement=Support from the Center for Advanced Vehicular Systems at Mississippi State University is gratefully acknowledged <br />
<br />
|references=<br />
<br />
D. Drake, R.W. Sullivan, H. Toghiani, S. Nouranian, T.E. Lacy, C. U. Pittman, Jr., J.L. DuBien, J. Simsiriwong. “Creep Compliance Characterization of Vapor-Grown Carbon Nanofiber/Vinyl Ester Nanocomposites Using a Central Composite Design of Experiments,” J. Appl. Polym. Sci., 132, 42162, doi: 10.1002/app.42162.<br />
<br />
<br />
<br />
}}<br />
<br />
<br />
[[Category: Research Paper]]<br />
[[Category: macroscale]]<br />
[[Category: Metamodeling]]<br />
[[Category: Polymers]]</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/ICME_Student_Contributions_2017_-_MsStateICME Student Contributions 2017 - MsState2017-04-12T15:41:18Z<p>Ddrake: /* Student 1 */</p>
<hr />
<div>[[CME 8373 Student Contributions (Spring 2017)|< ICME 2017 Student Contributions]]<br />
<br />
=Student Contributions=<br />
<br />
===Student 1===<br />
Student Contribution 1<br />
<br />
* Added the following paper to the ICME website [[Creep characterization of vapor-grown carbon nanofiber/vinyl ester nanocomposites using a response surface methodology]]<br />
<br />
Student Contribution 2<br />
<br />
* Added “Modeling Uncertainty” page ([[Modeling Uncertainty]])<br />
<br />
Student Contribution 3<br />
<br />
* Added the following categories to [[Composite Overview]]: Polymers, Materials, and Nanoscale.<br />
* Added the following categories to [[Animation]]: Dislocation Dynamics, Metals, Microscale, and Nanoscale.<br />
* Added the following categories to [[Cast Iron: Compacted Graphite Iron]]: Crystal Plasticity, Microscale, Metals.<br />
* Added the following categories to [[Ca.library.meam]]: Electronic Scale, MPC, and Metals.<br />
<br />
Student Contribution 4<br />
<br />
Added Installation Video to [[LAMMPS tutorials]] and [[Nanoscale]]<br />
* [[https://www.youtube.com/watch?v=UgmABjwrra0 Installation]]<br />
<br />
Student Contribution 5<br />
<br />
Added the following page to the ICME website: "[[A proposal to Investigate Stitched Composites Undergoing Delamination Using Multiscale Modeling Approach]]"<br />
<br />
===Student 2===<br />
<br />
Student Contribution 1<br />
<br />
* Added the following paper to the ICME website [[Multiscale structure-property relationships of ultra-high performance concrete]]<br />
<br />
Student Contribution 2<br />
<br />
* Added “Reinforced Concrete” page ([[Reinforced Concrete]])<br />
<br />
Student Contribution 3<br />
<br />
* Added the following categories to [[Reinforced Concrete]] page: Geomaterials "[[Mesoscale]]"<br />
* Added the following categories to [[A mesomechanics parametric finite element study of damage growth and coalescence in polymers using an Elastoviscoelastic-Viscoplastic internal state variable model]]: "[[Research Paper]]"<br />
* Added the following link to [[Mesoscale]] and Geomaterials: "[[Reinforced Concrete]]"<br />
<br />
Student Contribution 4<br />
<br />
Added Installation Video to [[Reinforced Concrete]]<br />
* [[https://www.youtube.com/watch?v=MIM4r59y4bQ]]<br />
<br />
Student Contribution 5<br />
<br />
* [[ICME Multi-scale Modelling of Ultra High Performance Concrete (UHPC)]]<br />
<br />
===Student 3===<br />
Contribution 1<br />
*Added ([[Optimization|An Efficient Non-dominated Sorting Method<br />
for Evolutionary Algorithms]]) to ([[Optimization]])<br />
<br />
Contribution 2<br />
*Added ([[Civil Engineering Materials]])<br />
<br />
Contribution 3<br />
*Categorized ([[Polymeric Composite Overwrap Pressure Vessel (COPV) Multiscale Modeling]]) by adding Metals and Materials categories<br />
*Categorized ([[ICME Overview for Steel Reinforced Concrete]]) by adding Geomaterials categories<br />
<br />
Contribution 4<br />
*Added Multiscale Modeling of Chromatin and Nucleosomes Video [[https://www.youtube.com/watch?v=4Z4KwuUfh0A]] to ([[Microscale]])<br />
<br />
Contribution 5<br />
*Added ([[Composite Carbon Fiber Reinforced Polymer Concrete Beams]])<br />
<br />
===Student 4===<br />
Contribution 2<br />
<br />
*Created page for the [[Makerbot Replicator 2X]] 3D printer<br />
Contribution 3<br />
<br />
* Linked the CAVS equipment webpage to [[Equipment|Equipment page]]<br />
<br />
* Linked 3 pages to the [[Multistage Fatigue|Multistage Fatigue page]]<br />
<br />
* Added categories to [[ICME Overview for Wrought Magnesium Alloys]] "Nanoscale" "Microscale" "Mesoscale"<br />
<br />
* Cross-linked [[Metals|Metals->Magnesium->Electronic Structure links]] to the [[Electronic Scale|Electronic Scale->Magnesium category]]<br />
<br />
* Added categories to [[MSF Uncertainty]] "Fatigue" "Uncertainty"<br />
Contribution 4<br />
<br />
*Added tutorial video for the [[Makerbot Replicator 2X]] 3D printer<br />
Contribution 5 <br />
<br />
* Added the following page to the ICME website [[Multistage Fatigue of a Cast Magnesium Subframe]]<br />
<br />
===Student 5===<br />
===Student 6===<br />
===Student 7===<br />
<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br><br />
Added the following journal articles:<br />
* [[Structure–property quantification of corrosion pitting under immersion and salt-spray environments on an extruded AZ61 magnesium alloy]]<br />
* [[Comparison of corrosion pitting under immersion and salt-spray environments on an as-cast AE44 magnesium alloy]]<br />
<br />
Contribution 2<br />
<br><br />
Created the following page:<br />
* [[Corrosion]]<br />
<br />
Contribution 3<br />
<br><br />
1. Added the following categories to * [[Quantification of corrosion mechanisms on an extruded AZ31 magnesium alloy]]: "Metals", "Macroscale", and "Microscale".<br />
<br><br />
2. Added the following categories to * [[Corrosion Behaviour of Extruded AM30 Magnesium Alloy]]: "Metals", "Macroscale", and "Microscale".<br />
<br><br />
3. Added the following categories to * [[Corrosion Fatigue Behavior of Extruded AM30 Magnesium Alloy]]: "Metals", "Macroscale", "Microscale", and "Research Paper".<br />
<br><br />
4. Crosslinked * [[Corrosion]] to the * [[Macroscale]] page.<br />
<br><br />
5. Crosslinked * [[Corrosion]] to "Metals".<br />
<br><br />
<br />
Contribution 4<br />
<br><br />
Added Corrosion Video to [[Corrosion]] and [[Microscale]]<br />
* [[https://www.youtube.com/watch?v=meBLy8hF1JU]]<br />
Added Q Fog Tutorial<br />
* [[https://icme.hpc.msstate.edu/mediawiki/images/c/ca/Q_Fog_Tutorial.pdf]]<br />
<br />
Contribution 5<br />
<br><br />
* [[ICME Multiscale Modeling of Corrosion Damage]]<br />
<br />
===Student 8===<br />
<br />
Contribution 1<br />
<br><br />
Added the following journal article:<br />
* [[Fatigue crack growth in magnesium single crystals under cyclic loading: Molecular dynamics simulation]]<br />
Contribution 2 <br />
* Filled in [[Scanning Electron Microscopes]] page<br />
Contribution 3<br />
<br> <br />
* Added the following categories to * [[ICME Overview for Alligator Gar Fish Scale]]: "Biomaterials", "Microscale", and "Nanoscale".<br />
* Added the following categories to * [[ICME Overview of Polymer Solar Cell Active Layer]]: "Polymers" ,Macroscale", "Microscale", and "Nanoscale".<br />
<br />
Contribution 4<br />
* Added a tutorial video about SEM Sample Preparation to the [[Scanning Electron Microscopes]] page<br />
<br />
Contribution 5<br />
* [[ICME Multiscale Modeling of MEMs Pressure Sensors Operating at High Temperature]]<br />
<br />
===Student 9===<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br><br />
Added the following journal articles:<br />
* [[Damage and stress state influence on the Bauschinger effect in aluminum alloys]]<br />
<br />
Contribution 2<br />
<br><br />
* Added Overview, Specimen Preparation, and EDS sections to the [[Transmission Electron Microscopy]] page. Added Biomaterials, Metal, and Microscale categorization. Added "similar to [[Scanning Electron Microscopes|SEM]]" crosslink.<br />
<br />
Contribution 3<br />
<br><br />
* Added Nanoscale and VASP categorization to [[Code: VASP compilation]] page.<br />
* Added VASP categorization to [[Cleanvaspfiles]] page.<br />
<br />
Contribution 4<br />
<br><br />
* Added a tutorial video for ABAQUS about a technique for adding a uniform mesh to a cylinder and performing a mesh convergence study to the [[Structural Scale]] and [[code: ABAQUS FEM]] pages. <br />
<br />
Contribution 5<br />
<br><br />
* [[ICME Overview of predicting the Specific Strength of Aluminum-Lithium Alloys]]<br />
<br />
===Student 10===<br />
CLAIMED <br><br />
Contribution 1<br><br />
Contribution 2<br><br />
Contribution 3<br><br />
Contribution 4<br><br />
Contribution 5<br><br />
<br />
===Student 11===<br />
CLAIMED<br />
<br />
Contribution 1<br />
<br><br />
*Added the following article to the ICME website [[Using a micromechanical finite element parametric study to motivate a phenomenological macroscale model for void/crack nucleation in aluminum with a hard second phase]]<br />
Contribution 2<br />
<br><br />
*filled in page for [[Code: CALCULIX|CALCULIX]] like that for [[Code: LAMMPS|LAMMPS]]<br />
Contribution 3<br />
<br><br />
*Created Category: [[Code: VCSG|VCSG]]<br />
*Added VCSG categorization to [[Code: VCSG]]<br />
<br />
Contribution 4<br />
<br><br />
*Added a tutorial for CalculiX about Thermal Conductance through a Flat Plate to the [[Structural Scale]].<br />
<br />
Contribution 5<br />
*[[ICME Overview of Carbon Nanotube Reinforced Concrete Fracture Analysis]]<br />
<br />
===Student 12===<br />
CLAIMED<br><br />
Contribution 1<br><br />
* Added the following article to the ICME website [[Quantitative fractographic analysis of variability in the tensile ductility of high-pressure die-cast AE44 Mg-alloy]]<br />
Contribution 2<br><br />
* Added page [[Sensitivity Analysis]]<br />
Contribution 3<br><br />
* Linked 4 pages to [[Microscale]]/Microscale Research/Metals section from [[Metals]]<br />
* Added the following categories to [[Code: VASP]] "Electronic Scale"<br />
* Added the following categories to [[Code: Quantum Espresso]] "Electronic Scale"<br />
* Added the following categories to [[Uncertainty of a Physically Motivated Internal State Variable Plasticity and Damage Model]] "Macroscale"<br />
* Added the following categories to [[Sensitivity Analysis]] "Uncertainty", "DMG", "Metamodeling"<br />
* Added the following categories to [[ICME Multi-scale Modeling of Copper-Tantalum Nanocrystalline Material]] "Metals", "Nanoscale", "Copper"<br />
Contribution 4<br><br />
* Added LAMMPS tutorial for installation with parallel processing capabilities in [[Nanoscale]]<br />
Contribution 5<br><br />
[[ICME Multi-scale Modeling of Copper-Tantalum Nanocrystalline Material]]<br />
<br />
===Student 13===<br />
===Student 14===<br />
===Student 15===<br />
<br />
CLAIMED<br />
<br />
Contribution 1<br />
<br><br />
* [[Nanostructurally small cracks (NSC): A review on atomistic modeling of fatigue|Nanostructurally small cracks (NSC): A review on atomistic modeling of fatigue]]<br />
<br />
Contribution 2<br />
<br><br />
* [[Additive Manufacturing]]<br />
<br />
Contribution 3<br />
<br><br />
* Added the following categories to LAMMPS and Nanoscale to [[Ca.log.lammps]]<br />
* Added the following categories to Aluminum and Metals to [[Properties of Aluminum]]<br />
* Added the following categories to LAMMPS, Metals and Aluminum to [[Making Atomistic Movies using AtomEye]]<br />
<br />
* Crosslinked to [[MTEX]] page from [[Microscale|Microscale]] page.<br />
* Crosslinked to [[Casting]] and [[Metals]] page from [[Process Modeling|Process Modeling]] page.<br />
* Crosslinked to [[Biomaterials]], [[Polymers]] and [[Ceramics]] page from [[Macroscale|Macroscale]] page<br />
* Crosslinked to [[MPC]], [[Polymers]], [[Ceramics]] and [[Equipment]] page from [[Nanoscale|Nanoscale]] page<br />
<br />
Contribution 4<br />
<br><br />
* Added a tutorial for MTEX [[MTEX]]<br />
<br />
Contribution 5<br />
<br><br />
*[[ICME Overview of Multiscale Structure-Property Relations for Cyclic Loading on Nitinol (NiTi) Procured from Additive Manufacturing (Laser Enhanced Net Shaping – LENS)]]<br />
<br />
===Student 16===<br />
===Student 17===<br />
===Student 18===<br />
===Student 19===<br />
===Student 20===<br />
CLAIMED<br />
<br />
Contribution 1<br />
<br />
[[A study on the structure and mechanical behavior of the ''Terrapene caroline'' carapace:A pathway to design bio-inspired syntheitic composites]]<br />
<br />
Contribution 2<br />
<br />
[[Code: Stabix]]<br />
<br />
Contribution 3<br />
<br>Add 3140 Steel to Category:Steel<br />
<br>Add 3104 Steel Stress-Strain Curve to Category:Steel<br />
<br />
Contribution 4<br />
<br />
Linked video to website about Using Matlab for the First Time by MIT OpenCourseWare<br />
<li> [[https://www.youtube.com/watch?v=jTS5ZmrrzMs Using Matlab for the First Time]]<br />
<br />
<br><br />
<br><br />
Contribution 5<br />
<br />
[[Research Proposal for Multistage Fatigue Model of AlMg Alloy using ICME]]<br />
<br />
===Student 21===<br />
===Student 22===<br />
===Student 23===<br />
===Student 24===<br />
===Student 25===<br />
===Student 26===<br />
===Student 27===<br />
===Student 28===<br />
===Student 29===<br />
===Student 30===<br />
===Student 31===<br />
===Student 32===<br />
===Student 33===<br />
Contribution 1<br />
*Added ([[First principles calculations of doped MnBi compounds]]) to ([[Electronic Scale]])<br />
<br><br />
<br />
Contribution 2<br />
*Added ([[VASP Example: Calculate Energy-Lattice Parameter curve for MnBiNi ]])to ([[Code: VASP ]]) <br />
<br><br />
<br />
Contribution 3<br />
*Categorized [[Raptor PBS]] by adding "VASP", "LAMMPS", and "Electronic scale".<br />
*Categorized [[VASP Example Run for Calcium: Input files]] by adding "VASP", "DFT", "Electronic Scale", "Calcium".<br />
<br />
<br><br />
<br />
Contribution 4<br />
*Added Video Fatigue Failure Analysis .[[https://youtu.be/ywDsB3umK2Y]] to ([[Fatigue ]])<br />
<br><br />
<br />
Contribution 5<br />
*Added ([[Miniaturization of electronic component Copper- Copper Oxide]])to ([[ICME]])<br />
<br />
===Student 34===<br />
===Student 35===</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/ICME_Student_Contributions_2017_-_MsStateICME Student Contributions 2017 - MsState2017-04-12T15:32:57Z<p>Ddrake: /* Student 1 */</p>
<hr />
<div>[[CME 8373 Student Contributions (Spring 2017)|< ICME 2017 Student Contributions]]<br />
<br />
=Student Contributions=<br />
<br />
===Student 1===<br />
Student Contribution 1<br />
<br />
* Added the following paper to the ICME website [[Creep characterization of vapor-grown carbon nanofiber/vinyl ester nanocomposites using a response surface methodology]]<br />
<br />
Student Contribution 2<br />
<br />
* Added “Modeling Uncertainty” page ([[Modeling Uncertainty]])<br />
<br />
Student Contribution 3<br />
<br />
* Added the following categories to [[Composite Overview]]: "[[Polymers]], [[Materials]], and [[Nanoscale]]".<br />
* Added the following categories to [[Animation]]: "[[Dislocation Dynamics]], [[Metals]], [[Microscale]], and [[Nanoscale]]".<br />
* Added the following categories to [[Cast Iron: Compacted Graphite Iron]]: "[[Crystal Plasticity]]", [[Microscale]], [[Metals]].<br />
* Added the following categories to [[Ca.library.meam]]: "[[Electronic Scale]],", [[MPC]], [[Metals]].<br />
<br />
Student Contribution 4<br />
<br />
Added Installation Video to [[LAMMPS tutorials]] and [[Nanoscale]]<br />
* [[https://www.youtube.com/watch?v=UgmABjwrra0 Installation]]<br />
<br />
Student Contribution 5<br />
<br />
Added the following page to the ICME website: "[[A proposal to Investigate Stitched Composites Undergoing Delamination Using Multiscale Modeling Approach]]"<br />
<br />
===Student 2===<br />
<br />
Student Contribution 1<br />
<br />
* Added the following paper to the ICME website [[Multiscale structure-property relationships of ultra-high performance concrete]]<br />
<br />
Student Contribution 2<br />
<br />
* Added “Reinforced Concrete” page ([[Reinforced Concrete]])<br />
<br />
Student Contribution 3<br />
<br />
* Added the following categories to [[Reinforced Concrete]] page: Geomaterials "[[Mesoscale]]"<br />
* Added the following categories to [[A mesomechanics parametric finite element study of damage growth and coalescence in polymers using an Elastoviscoelastic-Viscoplastic internal state variable model]]: "[[Research Paper]]"<br />
* Added the following link to [[Mesoscale]] and Geomaterials: "[[Reinforced Concrete]]"<br />
<br />
Student Contribution 4<br />
<br />
Added Installation Video to [[Reinforced Concrete]]<br />
* [[https://www.youtube.com/watch?v=MIM4r59y4bQ]]<br />
<br />
Student Contribution 5<br />
<br />
* [[ICME Multi-scale Modelling of Ultra High Performance Concrete (UHPC)]]<br />
<br />
===Student 3===<br />
Contribution 1<br />
*Added ([[Optimization|An Efficient Non-dominated Sorting Method<br />
for Evolutionary Algorithms]]) to ([[Optimization]])<br />
<br />
Contribution 2<br />
*Added ([[Civil Engineering Materials]])<br />
<br />
Contribution 3<br />
*Categorized ([[Polymeric Composite Overwrap Pressure Vessel (COPV) Multiscale Modeling]]) by adding Metals and Materials categories<br />
*Categorized ([[ICME Overview for Steel Reinforced Concrete]]) by adding Geomaterials categories<br />
<br />
Contribution 4<br />
*Added Multiscale Modeling of Chromatin and Nucleosomes Video [[https://www.youtube.com/watch?v=4Z4KwuUfh0A]] to ([[Microscale]])<br />
<br />
Contribution 5<br />
*Added ([[Composite Carbon Fiber Reinforced Polymer Concrete Beams]])<br />
<br />
===Student 4===<br />
Contribution 2<br />
<br />
*Created page for the [[Makerbot Replicator 2X]] 3D printer<br />
Contribution 3<br />
<br />
* Linked the CAVS equipment webpage to [[Equipment|Equipment page]]<br />
<br />
* Linked 3 pages to the [[Multistage Fatigue|Multistage Fatigue page]]<br />
<br />
* Added categories to [[ICME Overview for Wrought Magnesium Alloys]] "Nanoscale" "Microscale" "Mesoscale"<br />
<br />
* Cross-linked [[Metals|Metals->Magnesium->Electronic Structure links]] to the [[Electronic Scale|Electronic Scale->Magnesium category]]<br />
<br />
* Added categories to [[MSF Uncertainty]] "Fatigue" "Uncertainty"<br />
Contribution 4<br />
<br />
*Added tutorial video for the [[Makerbot Replicator 2X]] 3D printer<br />
Contribution 5 <br />
<br />
* Added the following page to the ICME website [[Multistage Fatigue of a Cast Magnesium Subframe]]<br />
<br />
===Student 5===<br />
===Student 6===<br />
===Student 7===<br />
<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br><br />
Added the following journal articles:<br />
* [[Structure–property quantification of corrosion pitting under immersion and salt-spray environments on an extruded AZ61 magnesium alloy]]<br />
* [[Comparison of corrosion pitting under immersion and salt-spray environments on an as-cast AE44 magnesium alloy]]<br />
<br />
Contribution 2<br />
<br><br />
Created the following page:<br />
* [[Corrosion]]<br />
<br />
Contribution 3<br />
<br><br />
1. Added the following categories to * [[Quantification of corrosion mechanisms on an extruded AZ31 magnesium alloy]]: "Metals", "Macroscale", and "Microscale".<br />
<br><br />
2. Added the following categories to * [[Corrosion Behaviour of Extruded AM30 Magnesium Alloy]]: "Metals", "Macroscale", and "Microscale".<br />
<br><br />
3. Added the following categories to * [[Corrosion Fatigue Behavior of Extruded AM30 Magnesium Alloy]]: "Metals", "Macroscale", "Microscale", and "Research Paper".<br />
<br><br />
4. Crosslinked * [[Corrosion]] to the * [[Macroscale]] page.<br />
<br><br />
5. Crosslinked * [[Corrosion]] to "Metals".<br />
<br><br />
<br />
Contribution 4<br />
<br><br />
Added Corrosion Video to [[Corrosion]] and [[Microscale]]<br />
* [[https://www.youtube.com/watch?v=meBLy8hF1JU]]<br />
Added Q Fog Tutorial<br />
* [[https://icme.hpc.msstate.edu/mediawiki/images/c/ca/Q_Fog_Tutorial.pdf]]<br />
<br />
Contribution 5<br />
<br><br />
* [[ICME Multiscale Modeling of Corrosion Damage]]<br />
<br />
===Student 8===<br />
<br />
Contribution 1<br />
<br><br />
Added the following journal article:<br />
* [[Fatigue crack growth in magnesium single crystals under cyclic loading: Molecular dynamics simulation]]<br />
Contribution 2 <br />
* Filled in [[Scanning Electron Microscopes]] page<br />
Contribution 3<br />
<br> <br />
* Added the following categories to * [[ICME Overview for Alligator Gar Fish Scale]]: "Biomaterials", "Microscale", and "Nanoscale".<br />
* Added the following categories to * [[ICME Overview of Polymer Solar Cell Active Layer]]: "Polymers" ,Macroscale", "Microscale", and "Nanoscale".<br />
<br />
Contribution 4<br />
* Added a tutorial video about SEM Sample Preparation to the [[Scanning Electron Microscopes]] page<br />
<br />
Contribution 5<br />
* [[ICME Multiscale Modeling of MEMs Pressure Sensors Operating at High Temperature]]<br />
<br />
===Student 9===<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br><br />
Added the following journal articles:<br />
* [[Damage and stress state influence on the Bauschinger effect in aluminum alloys]]<br />
<br />
Contribution 2<br />
<br><br />
* Added Overview, Specimen Preparation, and EDS sections to the [[Transmission Electron Microscopy]] page. Added Biomaterials, Metal, and Microscale categorization. Added "similar to [[Scanning Electron Microscopes|SEM]]" crosslink.<br />
<br />
Contribution 3<br />
<br><br />
* Added Nanoscale and VASP categorization to [[Code: VASP compilation]] page.<br />
* Added VASP categorization to [[Cleanvaspfiles]] page.<br />
<br />
Contribution 4<br />
<br><br />
* Added a tutorial video for ABAQUS about a technique for adding a uniform mesh to a cylinder and performing a mesh convergence study to the [[Structural Scale]] and [[code: ABAQUS FEM]] pages. <br />
<br />
Contribution 5<br />
<br><br />
* [[ICME Overview of predicting the Specific Strength of Aluminum-Lithium Alloys]]<br />
<br />
===Student 10===<br />
CLAIMED <br><br />
Contribution 1<br><br />
Contribution 2<br><br />
Contribution 3<br><br />
Contribution 4<br><br />
Contribution 5<br><br />
<br />
===Student 11===<br />
CLAIMED<br />
<br />
Contribution 1<br />
<br><br />
*Added the following article to the ICME website [[Using a micromechanical finite element parametric study to motivate a phenomenological macroscale model for void/crack nucleation in aluminum with a hard second phase]]<br />
Contribution 2<br />
<br><br />
*filled in page for [[Code: CALCULIX|CALCULIX]] like that for [[Code: LAMMPS|LAMMPS]]<br />
Contribution 3<br />
<br><br />
*Created Category: [[Code: VCSG|VCSG]]<br />
*Added VCSG categorization to [[Code: VCSG]]<br />
<br />
Contribution 4<br />
<br><br />
*Added a tutorial for CalculiX about Thermal Conductance through a Flat Plate to the [[Structural Scale]].<br />
<br />
Contribution 5<br />
*[[ICME Overview of Carbon Nanotube Reinforced Concrete Fracture Analysis]]<br />
<br />
===Student 12===<br />
CLAIMED<br><br />
Contribution 1<br><br />
* Added the following article to the ICME website [[Quantitative fractographic analysis of variability in the tensile ductility of high-pressure die-cast AE44 Mg-alloy]]<br />
Contribution 2<br><br />
* Added page [[Sensitivity Analysis]]<br />
Contribution 3<br><br />
* Linked 4 pages to [[Microscale]]/Microscale Research/Metals section from [[Metals]]<br />
* Added the following categories to [[Code: VASP]] "Electronic Scale"<br />
* Added the following categories to [[Code: Quantum Espresso]] "Electronic Scale"<br />
* Added the following categories to [[Uncertainty of a Physically Motivated Internal State Variable Plasticity and Damage Model]] "Macroscale"<br />
* Added the following categories to [[Sensitivity Analysis]] "Uncertainty", "DMG", "Metamodeling"<br />
* Added the following categories to [[ICME Multi-scale Modeling of Copper-Tantalum Nanocrystalline Material]] "Metals", "Nanoscale", "Copper"<br />
Contribution 4<br><br />
* Added LAMMPS tutorial for installation with parallel processing capabilities in [[Nanoscale]]<br />
Contribution 5<br><br />
[[ICME Multi-scale Modeling of Copper-Tantalum Nanocrystalline Material]]<br />
<br />
===Student 13===<br />
===Student 14===<br />
===Student 15===<br />
<br />
CLAIMED<br />
<br />
Contribution 1<br />
<br><br />
* [[Nanostructurally small cracks (NSC): A review on atomistic modeling of fatigue|Nanostructurally small cracks (NSC): A review on atomistic modeling of fatigue]]<br />
<br />
Contribution 2<br />
<br><br />
* [[Additive Manufacturing]]<br />
<br />
Contribution 3<br />
<br><br />
* Added the following categories to LAMMPS and Nanoscale to [[Ca.log.lammps]]<br />
* Added the following categories to Aluminum and Metals to [[Properties of Aluminum]]<br />
* Added the following categories to LAMMPS, Metals and Aluminum to [[Making Atomistic Movies using AtomEye]]<br />
<br />
* Crosslinked to [[MTEX]] page from [[Microscale|Microscale]] page.<br />
* Crosslinked to [[Casting]] and [[Metals]] page from [[Process Modeling|Process Modeling]] page.<br />
* Crosslinked to [[Biomaterials]], [[Polymers]] and [[Ceramics]] page from [[Macroscale|Macroscale]] page<br />
* Crosslinked to [[MPC]], [[Polymers]], [[Ceramics]] and [[Equipment]] page from [[Nanoscale|Nanoscale]] page<br />
<br />
Contribution 4<br />
<br><br />
* Added a tutorial for MTEX [[MTEX]]<br />
<br />
Contribution 5<br />
<br><br />
*[[ICME Overview of Multiscale Structure-Property Relations for Cyclic Loading on Nitinol (NiTi) Procured from Additive Manufacturing (Laser Enhanced Net Shaping – LENS)]]<br />
<br />
===Student 16===<br />
===Student 17===<br />
===Student 18===<br />
===Student 19===<br />
===Student 20===<br />
CLAIMED<br />
<br />
Contribution 1<br />
<br />
[[A study on the structure and mechanical behavior of the ''Terrapene caroline'' carapace:A pathway to design bio-inspired syntheitic composites]]<br />
<br />
Contribution 2<br />
<br />
[[Code: Stabix]]<br />
<br />
Contribution 3<br />
<br>Add 3140 Steel to Category:Steel<br />
<br>Add 3104 Steel Stress-Strain Curve to Category:Steel<br />
<br />
Contribution 4<br />
<br />
Linked video to website about Using Matlab for the First Time by MIT OpenCourseWare<br />
<li> [[https://www.youtube.com/watch?v=jTS5ZmrrzMs Using Matlab for the First Time]]<br />
<br />
<br><br />
<br><br />
Contribution 5<br />
<br />
[[Research Proposal for Multistage Fatigue Model of AlMg Alloy using ICME]]<br />
<br />
===Student 21===<br />
===Student 22===<br />
===Student 23===<br />
===Student 24===<br />
===Student 25===<br />
===Student 26===<br />
===Student 27===<br />
===Student 28===<br />
===Student 29===<br />
===Student 30===<br />
===Student 31===<br />
===Student 32===<br />
===Student 33===<br />
Contribution 1<br />
*Added ([[First principles calculations of doped MnBi compounds]]) to ([[Electronic Scale]])<br />
<br><br />
<br />
Contribution 2<br />
*Added ([[VASP Example: Calculate Energy-Lattice Parameter curve for MnBiNi ]])to ([[Code: VASP ]]) <br />
<br><br />
<br />
Contribution 3<br />
*Categorized [[Raptor PBS]] by adding "VASP", "LAMMPS", and "Electronic scale".<br />
*Categorized [[VASP Example Run for Calcium: Input files]] by adding "VASP", "DFT", "Electronic Scale", "Calcium".<br />
<br />
<br><br />
<br />
Contribution 4<br />
*Added Video Fatigue Failure Analysis .[[https://youtu.be/ywDsB3umK2Y]] to ([[Fatigue ]])<br />
<br><br />
<br />
Contribution 5<br />
*Added ([[Miniaturization of electronic component Copper- Copper Oxide]])to ([[ICME]])<br />
<br />
===Student 34===<br />
===Student 35===</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/Composite_OverviewComposite Overview2017-04-12T15:32:03Z<p>Ddrake: </p>
<hr />
<div>==Composite Materials==<br />
Composites are materials formed by two dissimilar materials. For most practical applications, the materials consist of fibers and a matrix. The fibers, such as carbon fibers or fiberglass, are generally long, flexible, and strong. The matrix, usually a polymer based substance, provides the rigidity that hold the fibers in a shape and withstand compressive forces. These materials are combined to produce a material that is both rigid and strong. For ICME analysis, the composite material most be analyzed as two separate materials then combined using the fiber-matrix bridge. Each material can be analyzed through ICME methodology to determine the properties of the base materials, then additional analyses are performed on the fiber matrix bridge to determine the strength of the bond. This information, along with the desired volume fractions for each of the materials can be used to determine the properties of the composite material.<br />
<br />
==Composite Bridging==<br />
The bond between the fibers and the matrix and the volume fraction of each are the keys to determining the properties of the combined material. This bridge is different for each material. Most fiber based composites contain fibers that are coated with chemicals called sizings that either protect the fiber or promote bonding. For example, glass fibers are coated sizings that promote chemical bonding to matrix materials, while carbon fibers are coated with sizings that protect the fibers from each other prior to their use. The carbon fiber sizings can inhibit chemical bonding between the matrix and the fibers. In this case, other methods of preventing slip between the fiber and the matrix are needed. To prevent slip, carbon fibers are etched prior to application of the sizing to promote a frictional bond between the fibers and the matrix.<ref name="Strong">Strong, B. “Practical Aspects of Carbon Fiber Surface Treatment and Sizing.”</ref><br />
<br />
An understanding of the specific sizing and its role leads to a better understanding of the composite material. To properly analyze the bond, one needs to determine the length scale of the fiber-matrix bridge(s). For example, a chemical bond might require an atomistic analysis, but an etched bond might require a mesoscale analysis.<br />
<br />
==References==<br />
<references/><br />
<br />
[[Category:Polymers]]<br />
[[Category:Materials]]<br />
[[Category:Nanoscale]]</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/ICME_Student_Contributions_2017_-_MsStateICME Student Contributions 2017 - MsState2017-04-12T15:31:21Z<p>Ddrake: /* Student 1 */</p>
<hr />
<div>[[CME 8373 Student Contributions (Spring 2017)|< ICME 2017 Student Contributions]]<br />
<br />
=Student Contributions=<br />
<br />
===Student 1===<br />
Student Contribution 1<br />
<br />
* Added the following paper to the ICME website [[Creep characterization of vapor-grown carbon nanofiber/vinyl ester nanocomposites using a response surface methodology]]<br />
<br />
Student Contribution 2<br />
<br />
* Added “Modeling Uncertainty” page ([[Modeling Uncertainty]])<br />
<br />
Student Contribution 3<br />
<br />
* Added the following categories to [[Composite Overview]]: "[[Polymers]], [[Characterization]], and [[Nanoscale]]".<br />
* Added the following categories to [[Animation]]: "[[Dislocation Dynamics]], [[Metals]], [[Microscale]], and [[Nanoscale]]".<br />
* Added the following categories to [[Cast Iron: Compacted Graphite Iron]]: "[[Crystal Plasticity]]", [[Microscale]], [[Metals]].<br />
* Added the following categories to [[Ca.library.meam]]: "[[Electronic Scale]],", [[MPC]], [[Metals]].<br />
<br />
Student Contribution 4<br />
<br />
Added Installation Video to [[LAMMPS tutorials]] and [[Nanoscale]]<br />
* [[https://www.youtube.com/watch?v=UgmABjwrra0 Installation]]<br />
<br />
Student Contribution 5<br />
<br />
Added the following page to the ICME website: "[[A proposal to Investigate Stitched Composites Undergoing Delamination Using Multiscale Modeling Approach]]"<br />
<br />
===Student 2===<br />
<br />
Student Contribution 1<br />
<br />
* Added the following paper to the ICME website [[Multiscale structure-property relationships of ultra-high performance concrete]]<br />
<br />
Student Contribution 2<br />
<br />
* Added “Reinforced Concrete” page ([[Reinforced Concrete]])<br />
<br />
Student Contribution 3<br />
<br />
* Added the following categories to [[Reinforced Concrete]] page: Geomaterials "[[Mesoscale]]"<br />
* Added the following categories to [[A mesomechanics parametric finite element study of damage growth and coalescence in polymers using an Elastoviscoelastic-Viscoplastic internal state variable model]]: "[[Research Paper]]"<br />
* Added the following link to [[Mesoscale]] and Geomaterials: "[[Reinforced Concrete]]"<br />
<br />
Student Contribution 4<br />
<br />
Added Installation Video to [[Reinforced Concrete]]<br />
* [[https://www.youtube.com/watch?v=MIM4r59y4bQ]]<br />
<br />
Student Contribution 5<br />
<br />
* [[ICME Multi-scale Modelling of Ultra High Performance Concrete (UHPC)]]<br />
<br />
===Student 3===<br />
Contribution 1<br />
*Added ([[Optimization|An Efficient Non-dominated Sorting Method<br />
for Evolutionary Algorithms]]) to ([[Optimization]])<br />
<br />
Contribution 2<br />
*Added ([[Civil Engineering Materials]])<br />
<br />
Contribution 3<br />
*Categorized ([[Polymeric Composite Overwrap Pressure Vessel (COPV) Multiscale Modeling]]) by adding Metals and Materials categories<br />
*Categorized ([[ICME Overview for Steel Reinforced Concrete]]) by adding Geomaterials categories<br />
<br />
Contribution 4<br />
*Added Multiscale Modeling of Chromatin and Nucleosomes Video [[https://www.youtube.com/watch?v=4Z4KwuUfh0A]] to ([[Microscale]])<br />
<br />
Contribution 5<br />
*Added ([[Composite Carbon Fiber Reinforced Polymer Concrete Beams]])<br />
<br />
===Student 4===<br />
Contribution 2<br />
<br />
*Created page for the [[Makerbot Replicator 2X]] 3D printer<br />
Contribution 3<br />
<br />
* Linked the CAVS equipment webpage to [[Equipment|Equipment page]]<br />
<br />
* Linked 3 pages to the [[Multistage Fatigue|Multistage Fatigue page]]<br />
<br />
* Added categories to [[ICME Overview for Wrought Magnesium Alloys]] "Nanoscale" "Microscale" "Mesoscale"<br />
<br />
* Cross-linked [[Metals|Metals->Magnesium->Electronic Structure links]] to the [[Electronic Scale|Electronic Scale->Magnesium category]]<br />
<br />
* Added categories to [[MSF Uncertainty]] "Fatigue" "Uncertainty"<br />
Contribution 4<br />
<br />
*Added tutorial video for the [[Makerbot Replicator 2X]] 3D printer<br />
Contribution 5 <br />
<br />
* Added the following page to the ICME website [[Multistage Fatigue of a Cast Magnesium Subframe]]<br />
<br />
===Student 5===<br />
===Student 6===<br />
===Student 7===<br />
<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br><br />
Added the following journal articles:<br />
* [[Structure–property quantification of corrosion pitting under immersion and salt-spray environments on an extruded AZ61 magnesium alloy]]<br />
* [[Comparison of corrosion pitting under immersion and salt-spray environments on an as-cast AE44 magnesium alloy]]<br />
<br />
Contribution 2<br />
<br><br />
Created the following page:<br />
* [[Corrosion]]<br />
<br />
Contribution 3<br />
<br><br />
1. Added the following categories to * [[Quantification of corrosion mechanisms on an extruded AZ31 magnesium alloy]]: "Metals", "Macroscale", and "Microscale".<br />
<br><br />
2. Added the following categories to * [[Corrosion Behaviour of Extruded AM30 Magnesium Alloy]]: "Metals", "Macroscale", and "Microscale".<br />
<br><br />
3. Added the following categories to * [[Corrosion Fatigue Behavior of Extruded AM30 Magnesium Alloy]]: "Metals", "Macroscale", "Microscale", and "Research Paper".<br />
<br><br />
4. Crosslinked * [[Corrosion]] to the * [[Macroscale]] page.<br />
<br><br />
5. Crosslinked * [[Corrosion]] to "Metals".<br />
<br><br />
<br />
Contribution 4<br />
<br><br />
Added Corrosion Video to [[Corrosion]] and [[Microscale]]<br />
* [[https://www.youtube.com/watch?v=meBLy8hF1JU]]<br />
Added Q Fog Tutorial<br />
* [[https://icme.hpc.msstate.edu/mediawiki/images/c/ca/Q_Fog_Tutorial.pdf]]<br />
<br />
Contribution 5<br />
<br><br />
* [[ICME Multiscale Modeling of Corrosion Damage]]<br />
<br />
===Student 8===<br />
<br />
Contribution 1<br />
<br><br />
Added the following journal article:<br />
* [[Fatigue crack growth in magnesium single crystals under cyclic loading: Molecular dynamics simulation]]<br />
Contribution 2 <br />
* Filled in [[Scanning Electron Microscopes]] page<br />
Contribution 3<br />
<br> <br />
* Added the following categories to * [[ICME Overview for Alligator Gar Fish Scale]]: "Biomaterials", "Microscale", and "Nanoscale".<br />
* Added the following categories to * [[ICME Overview of Polymer Solar Cell Active Layer]]: "Polymers" ,Macroscale", "Microscale", and "Nanoscale".<br />
<br />
Contribution 4<br />
* Added a tutorial video about SEM Sample Preparation to the [[Scanning Electron Microscopes]] page<br />
<br />
Contribution 5<br />
* [[ICME Multiscale Modeling of MEMs Pressure Sensors Operating at High Temperature]]<br />
<br />
===Student 9===<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br><br />
Added the following journal articles:<br />
* [[Damage and stress state influence on the Bauschinger effect in aluminum alloys]]<br />
<br />
Contribution 2<br />
<br><br />
* Added Overview, Specimen Preparation, and EDS sections to the [[Transmission Electron Microscopy]] page. Added Biomaterials, Metal, and Microscale categorization. Added "similar to [[Scanning Electron Microscopes|SEM]]" crosslink.<br />
<br />
Contribution 3<br />
<br><br />
* Added Nanoscale and VASP categorization to [[Code: VASP compilation]] page.<br />
* Added VASP categorization to [[Cleanvaspfiles]] page.<br />
<br />
Contribution 4<br />
<br><br />
* Added a tutorial video for ABAQUS about a technique for adding a uniform mesh to a cylinder and performing a mesh convergence study to the [[Structural Scale]] and [[code: ABAQUS FEM]] pages. <br />
<br />
Contribution 5<br />
<br><br />
* [[ICME Overview of predicting the Specific Strength of Aluminum-Lithium Alloys]]<br />
<br />
===Student 10===<br />
CLAIMED <br><br />
Contribution 1<br><br />
Contribution 2<br><br />
Contribution 3<br><br />
Contribution 4<br><br />
Contribution 5<br><br />
<br />
===Student 11===<br />
CLAIMED<br />
<br />
Contribution 1<br />
<br><br />
*Added the following article to the ICME website [[Using a micromechanical finite element parametric study to motivate a phenomenological macroscale model for void/crack nucleation in aluminum with a hard second phase]]<br />
Contribution 2<br />
<br><br />
*filled in page for [[Code: CALCULIX|CALCULIX]] like that for [[Code: LAMMPS|LAMMPS]]<br />
Contribution 3<br />
<br><br />
*Created Category: [[Code: VCSG|VCSG]]<br />
*Added VCSG categorization to [[Code: VCSG]]<br />
<br />
Contribution 4<br />
<br><br />
*Added a tutorial for CalculiX about Thermal Conductance through a Flat Plate to the [[Structural Scale]].<br />
<br />
Contribution 5<br />
*[[ICME Overview of Carbon Nanotube Reinforced Concrete Fracture Analysis]]<br />
<br />
===Student 12===<br />
CLAIMED<br><br />
Contribution 1<br><br />
* Added the following article to the ICME website [[Quantitative fractographic analysis of variability in the tensile ductility of high-pressure die-cast AE44 Mg-alloy]]<br />
Contribution 2<br><br />
* Added page [[Sensitivity Analysis]]<br />
Contribution 3<br><br />
* Linked 4 pages to [[Microscale]]/Microscale Research/Metals section from [[Metals]]<br />
* Added the following categories to [[Code: VASP]] "Electronic Scale"<br />
* Added the following categories to [[Code: Quantum Espresso]] "Electronic Scale"<br />
* Added the following categories to [[Uncertainty of a Physically Motivated Internal State Variable Plasticity and Damage Model]] "Macroscale"<br />
* Added the following categories to [[Sensitivity Analysis]] "Uncertainty", "DMG", "Metamodeling"<br />
* Added the following categories to [[ICME Multi-scale Modeling of Copper-Tantalum Nanocrystalline Material]] "Metals", "Nanoscale", "Copper"<br />
Contribution 4<br><br />
* Added LAMMPS tutorial for installation with parallel processing capabilities in [[Nanoscale]]<br />
Contribution 5<br><br />
[[ICME Multi-scale Modeling of Copper-Tantalum Nanocrystalline Material]]<br />
<br />
===Student 13===<br />
===Student 14===<br />
===Student 15===<br />
<br />
CLAIMED<br />
<br />
Contribution 1<br />
<br><br />
* [[Nanostructurally small cracks (NSC): A review on atomistic modeling of fatigue|Nanostructurally small cracks (NSC): A review on atomistic modeling of fatigue]]<br />
<br />
Contribution 2<br />
<br><br />
* [[Additive Manufacturing]]<br />
<br />
Contribution 3<br />
<br><br />
* Added the following categories to LAMMPS and Nanoscale to [[Ca.log.lammps]]<br />
* Added the following categories to Aluminum and Metals to [[Properties of Aluminum]]<br />
* Added the following categories to LAMMPS, Metals and Aluminum to [[Making Atomistic Movies using AtomEye]]<br />
<br />
* Crosslinked to [[MTEX]] page from [[Microscale|Microscale]] page.<br />
* Crosslinked to [[Casting]] and [[Metals]] page from [[Process Modeling|Process Modeling]] page.<br />
* Crosslinked to [[Biomaterials]], [[Polymers]] and [[Ceramics]] page from [[Macroscale|Macroscale]] page<br />
* Crosslinked to [[MPC]], [[Polymers]], [[Ceramics]] and [[Equipment]] page from [[Nanoscale|Nanoscale]] page<br />
<br />
Contribution 4<br />
<br><br />
* Added a tutorial for MTEX [[MTEX]]<br />
<br />
Contribution 5<br />
<br><br />
*[[ICME Overview of Multiscale Structure-Property Relations for Cyclic Loading on Nitinol (NiTi) Procured from Additive Manufacturing (Laser Enhanced Net Shaping – LENS)]]<br />
<br />
===Student 16===<br />
===Student 17===<br />
===Student 18===<br />
===Student 19===<br />
===Student 20===<br />
CLAIMED<br />
<br />
Contribution 1<br />
<br />
[[A study on the structure and mechanical behavior of the ''Terrapene caroline'' carapace:A pathway to design bio-inspired syntheitic composites]]<br />
<br />
Contribution 2<br />
<br />
[[Code: Stabix]]<br />
<br />
Contribution 3<br />
<br>Add 3140 Steel to Category:Steel<br />
<br>Add 3104 Steel Stress-Strain Curve to Category:Steel<br />
<br />
Contribution 4<br />
<br />
Linked video to website about Using Matlab for the First Time by MIT OpenCourseWare<br />
<li> [[https://www.youtube.com/watch?v=jTS5ZmrrzMs Using Matlab for the First Time]]<br />
<br />
<br><br />
<br><br />
Contribution 5<br />
<br />
[[Research Proposal for Multistage Fatigue Model of AlMg Alloy using ICME]]<br />
<br />
===Student 21===<br />
===Student 22===<br />
===Student 23===<br />
===Student 24===<br />
===Student 25===<br />
===Student 26===<br />
===Student 27===<br />
===Student 28===<br />
===Student 29===<br />
===Student 30===<br />
===Student 31===<br />
===Student 32===<br />
===Student 33===<br />
Contribution 1<br />
*Added ([[First principles calculations of doped MnBi compounds]]) to ([[Electronic Scale]])<br />
<br><br />
<br />
Contribution 2<br />
*Added ([[VASP Example: Calculate Energy-Lattice Parameter curve for MnBiNi ]])to ([[Code: VASP ]]) <br />
<br><br />
<br />
Contribution 3<br />
*Categorized [[Raptor PBS]] by adding "VASP", "LAMMPS", and "Electronic scale".<br />
*Categorized [[VASP Example Run for Calcium: Input files]] by adding "VASP", "DFT", "Electronic Scale", "Calcium".<br />
<br />
<br><br />
<br />
Contribution 4<br />
*Added Video Fatigue Failure Analysis .[[https://youtu.be/ywDsB3umK2Y]] to ([[Fatigue ]])<br />
<br><br />
<br />
Contribution 5<br />
*Added ([[Miniaturization of electronic component Copper- Copper Oxide]])to ([[ICME]])<br />
<br />
===Student 34===<br />
===Student 35===</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/Cast_Iron:_Compacted_Graphite_IronCast Iron: Compacted Graphite Iron2017-04-12T15:28:17Z<p>Ddrake: </p>
<hr />
<div>=Model Fit=<br />
[[Image:CI006_4_35_DMGfit.jpg|800px]] <br> <br><br />
<br />
<br />
==Input Data==<br />
[[media:CI006_4_35_tension.txt | CI006_4_35_tension.txt]] <br><br />
[[media:CI006_4_35_compression.txt | CI006_4_35_compression.txt]] <br><br />
<br />
==References==<br />
C.F. Walton, Ed., Iron Castings Handbook, Iron Casting Society, 1988, p 388<br />
<br />
[[Category:Metals]]<br />
[[Category:Crystal Plasticity]]<br />
[[Category:Microscale]]</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/AnimationAnimation2017-04-12T15:26:55Z<p>Ddrake: </p>
<hr />
<div>[[File: DDD_simulation_of_FR_Source_in_Iron.gif |Iron Dislocation Dynamic Simulation]]<br />
<br />
[[Category:Dislocation Dynamics]]<br />
[[Category:Metals]]<br />
[[Category:Microscale]]<br />
[[Category:Nanoscale]]</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/Composite_OverviewComposite Overview2017-04-12T15:26:01Z<p>Ddrake: </p>
<hr />
<div>==Composite Materials==<br />
Composites are materials formed by two dissimilar materials. For most practical applications, the materials consist of fibers and a matrix. The fibers, such as carbon fibers or fiberglass, are generally long, flexible, and strong. The matrix, usually a polymer based substance, provides the rigidity that hold the fibers in a shape and withstand compressive forces. These materials are combined to produce a material that is both rigid and strong. For ICME analysis, the composite material most be analyzed as two separate materials then combined using the fiber-matrix bridge. Each material can be analyzed through ICME methodology to determine the properties of the base materials, then additional analyses are performed on the fiber matrix bridge to determine the strength of the bond. This information, along with the desired volume fractions for each of the materials can be used to determine the properties of the composite material.<br />
<br />
==Composite Bridging==<br />
The bond between the fibers and the matrix and the volume fraction of each are the keys to determining the properties of the combined material. This bridge is different for each material. Most fiber based composites contain fibers that are coated with chemicals called sizings that either protect the fiber or promote bonding. For example, glass fibers are coated sizings that promote chemical bonding to matrix materials, while carbon fibers are coated with sizings that protect the fibers from each other prior to their use. The carbon fiber sizings can inhibit chemical bonding between the matrix and the fibers. In this case, other methods of preventing slip between the fiber and the matrix are needed. To prevent slip, carbon fibers are etched prior to application of the sizing to promote a frictional bond between the fibers and the matrix.<ref name="Strong">Strong, B. “Practical Aspects of Carbon Fiber Surface Treatment and Sizing.”</ref><br />
<br />
An understanding of the specific sizing and its role leads to a better understanding of the composite material. To properly analyze the bond, one needs to determine the length scale of the fiber-matrix bridge(s). For example, a chemical bond might require an atomistic analysis, but an etched bond might require a mesoscale analysis.<br />
<br />
==References==<br />
<references/><br />
<br />
[[Category:Polymers]]<br />
[[Category:Characterization]]<br />
[[Category:Nanoscale]]</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/Composite_OverviewComposite Overview2017-04-12T15:25:36Z<p>Ddrake: </p>
<hr />
<div>==Composite Materials==<br />
Composites are materials formed by two dissimilar materials. For most practical applications, the materials consist of fibers and a matrix. The fibers, such as carbon fibers or fiberglass, are generally long, flexible, and strong. The matrix, usually a polymer based substance, provides the rigidity that hold the fibers in a shape and withstand compressive forces. These materials are combined to produce a material that is both rigid and strong. For ICME analysis, the composite material most be analyzed as two separate materials then combined using the fiber-matrix bridge. Each material can be analyzed through ICME methodology to determine the properties of the base materials, then additional analyses are performed on the fiber matrix bridge to determine the strength of the bond. This information, along with the desired volume fractions for each of the materials can be used to determine the properties of the composite material.<br />
<br />
==Composite Bridging==<br />
The bond between the fibers and the matrix and the volume fraction of each are the keys to determining the properties of the combined material. This bridge is different for each material. Most fiber based composites contain fibers that are coated with chemicals called sizings that either protect the fiber or promote bonding. For example, glass fibers are coated sizings that promote chemical bonding to matrix materials, while carbon fibers are coated with sizings that protect the fibers from each other prior to their use. The carbon fiber sizings can inhibit chemical bonding between the matrix and the fibers. In this case, other methods of preventing slip between the fiber and the matrix are needed. To prevent slip, carbon fibers are etched prior to application of the sizing to promote a frictional bond between the fibers and the matrix.<ref name="Strong">Strong, B. “Practical Aspects of Carbon Fiber Surface Treatment and Sizing.”</ref><br />
<br />
An understanding of the specific sizing and its role leads to a better understanding of the composite material. To properly analyze the bond, one needs to determine the length scale of the fiber-matrix bridge(s). For example, a chemical bond might require an atomistic analysis, but an etched bond might require a mesoscale analysis.<br />
<br />
==References==<br />
<references/><br />
<br />
[[Category:Polymers]]<br />
[[Category:ICME]]<br />
[[Category:Nanoscale]]</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/Modeling_UncertaintyModeling Uncertainty2017-04-12T15:20:14Z<p>Ddrake: </p>
<hr />
<div>=Uncertainty=<br />
==Objective==<br />
This page will provide information on how to model uncertainty using the MEAM parameter calibration (MPC) tool and Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS). On this page, the central finite difference approximation is used as an example to help users to understand how to model the uncertainty of the response of your system with respect to certain variables. <br />
<br />
In this example, the "response" of our system will be the dislocation velocity determined from LAMMPS. Additionally, "variables" can be inputs that contribute to the response of your system. In this example, these variables will be will be the MEAM parameters that are used to input into LAMMPS.<br />
<br />
==Theory==<br />
The uncertainty of the response of your system can be approximated using a one-factor-at-atime perturbation methodology. This method uses the central difference approximation to estimate the sensitivity of your response with respect to input variables. This sensitivity can be expressed as:<br />
<br />
[[File:SensitivityEqn.jpg]]<br />
<br />
where f() is the model function, Xi is the model input parameter, X0,i is the base value of a parameter, +/-i is the perturbation size around the base parameter, and DeltaXi is the difference between the perturbed input parameters. The perturbation size typically assumes a +/-1% perturbed factor. The uncertainty based on the sensitivity of an input can be determined from the following equation:<br />
<br />
[[File:UncertaintyEqn.jpg]]<br />
<br />
where Uf is the total uncertainity propagated through the model, df/dx is the model sensitivity in the equation prescribed above, N is the total number of parameters, and Uxi is the input parameter uncertainty. This parameter uncertainty term will have to depend on previous studies with respect to it's variance on the response your system. Conservatively, it can be assumed that a 5% parameter uncertainty can be used. <br />
<br />
==Example==<br />
In this example, we will vary a single MEAM parameter and look at the influence with respect to the dislocation velocity of a single material, called "Material 1". In this study, we will vary the parameter b2 by approximately +/-1% and assume a parameter uncertainty of approximately 5%. In Figure 1, the final result to calculate the uncertainty is shown. <br />
<br />
<br />
[[image:Uncertaintyplot.jpg|thumb|center|300px| Figure 1: Dislocation velocity as a function of applied shear stress.]]<br />
<br />
===Step 1===<br />
Calibrate your MEAM potential with respect to Density Functional Theory. This requires the use of elastic constants from experiments or literature to calibrate your material to DFT. The MEAM parameters we will be using is shown below for our "Material". <br />
<br />
[[image:MEAMParameters.jpg|thumb|center|300px| Table 1: MEAM Parameters]]<br />
<br />
===Step 2===<br />
We will need to run LAMMPS to determine the dislocation velocity for an edge dislocation. This was done at several applied shear stress levels (10 to 1200 MPa) for the following test cases:<br />
<br />
<br />
* a nominal MEAM parameter test case<br />
* a 1% increase in b2 test case<br />
* a 1% decrease b2 test case<br />
<br />
<br />
In Figure 2, a flow chart to run LAMMPS is shown. First, the volume of atoms needs to be generated for an edge dislocation. Secondly, the dislocation velocity specifying the applied stress and temperature needs to be written. Lastly, the MEAM input parameters needs to be written with respect to the test cases prescribed above. Please refer to the LAMMPS page on how this is performed. Once LAMMPS is used to calculate the displacement of the atoms, a dislocation velocity can be calculated using a single defect velocity script.<br />
<br />
<br />
[[image:b2response.jpg|thumb|center|300px| Table 2: Sensitivity of b2 with respect to the dislocation velocity.]]<br />
<br />
===Step 3===<br />
<br />
In table 2, the uncertainty with respect to the MEAM parameters is determined. Note here that since we are only evaluating the uncertainty with respect to one variable, there is no summation. Essentially, N=1. If we were varying more than one parameter, a summation would need to be performed to determine the total accumulated uncertainty. Lastly, the uncertainty is added or subtracted to determine the uncertainty bands with respect to the mean response. <br />
<br />
[[image:UncertaintyCalc.jpg|thumb|center|600px| Table 2: Calculation of uncertainty.]]<br />
<br />
==References==<br />
<references/><br />
<br />
J.M. Hughes, M.F. Horstemeyer, R. Carino, N. Sukhija, W.B. Lawrimore, S. Kim, and M.I. Baskes. "Hierarchical Bridging Between Ab Initio and Atomistic Level Computations: Sensitivity and Uncertainty Analysis for the Modified Embedded-Atom Method (MEAM) Potential (Part B)." JOM, Vol. 67, No. 1, 2015. DOI: 10.1007/s11837-014-1205-7<br />
<br />
[[Category:Uncertainty]]<br />
[[Category:Metals]]<br />
[[Category:LAMMPS]]<br />
[[Category:Modified Embedded Atom Method]]</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/AnimationAnimation2017-04-12T15:18:03Z<p>Ddrake: </p>
<hr />
<div>[[File: DDD_simulation_of_FR_Source_in_Iron.gif |Iron Dislocation Dynamic Simulation]]<br />
<br />
[[Category:Dislocation Dynamics]]<br />
[[Category:Metals]]</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/ICME_Student_Contributions_2017_-_MsStateICME Student Contributions 2017 - MsState2017-04-12T15:17:35Z<p>Ddrake: /* Student 1 */</p>
<hr />
<div>[[CME 8373 Student Contributions (Spring 2017)|< ICME 2017 Student Contributions]]<br />
<br />
=Student Contributions=<br />
<br />
===Student 1===<br />
Student Contribution 1<br />
<br />
* Added the following paper to the ICME website [[Creep characterization of vapor-grown carbon nanofiber/vinyl ester nanocomposites using a response surface methodology]]<br />
<br />
Student Contribution 2<br />
<br />
* Added “Modeling Uncertainty” page ([[Modeling Uncertainty]])<br />
<br />
Student Contribution 3<br />
<br />
* Added the following categories to [[Composite Overview]]: "[[Polymers]]".<br />
* Added the following categories to [[Animation]]: "[[Dislocation Dynamics]]".<br />
* Added the following categories to [[Cast Iron: Compacted Graphite Iron]]: "[[Crystal Plasticity]]" & [[Metals]].<br />
* Added the following categories to [[Ca.library.meam]]: "[[Electronic Scale]],", [[MPC]], [[Metals]].<br />
<br />
Student Contribution 4<br />
<br />
Added Installation Video to [[LAMMPS tutorials]] and [[Nanoscale]]<br />
* [[https://www.youtube.com/watch?v=UgmABjwrra0 Installation]]<br />
<br />
Student Contribution 5<br />
<br />
Added the following page to the ICME website: "[[A proposal to Investigate Stitched Composites Undergoing Delamination Using Multiscale Modeling Approach]]"<br />
<br />
===Student 2===<br />
<br />
Student Contribution 1<br />
<br />
* Added the following paper to the ICME website [[Multiscale structure-property relationships of ultra-high performance concrete]]<br />
<br />
Student Contribution 2<br />
<br />
* Added “Reinforced Concrete” page ([[Reinforced Concrete]])<br />
<br />
Student Contribution 3<br />
<br />
* Added the following categories to [[Reinforced Concrete]] page: Geomaterials "[[Mesoscale]]"<br />
* Added the following categories to [[A mesomechanics parametric finite element study of damage growth and coalescence in polymers using an Elastoviscoelastic-Viscoplastic internal state variable model]]: "[[Research Paper]]"<br />
* Added the following link to [[Mesoscale]] and Geomaterials: "[[Reinforced Concrete]]"<br />
<br />
Student Contribution 4<br />
<br />
Added Installation Video to [[Reinforced Concrete]]<br />
* [[https://www.youtube.com/watch?v=MIM4r59y4bQ]]<br />
<br />
Student Contribution 5<br />
<br />
* [[ICME Multi-scale Modelling of Ultra High Performance Concrete (UHPC)]]<br />
<br />
===Student 3===<br />
Contribution 1<br />
*Added ([[Optimization|An Efficient Non-dominated Sorting Method<br />
for Evolutionary Algorithms]]) to ([[Optimization]])<br />
<br />
Contribution 2<br />
*Added ([[Civil Engineering Materials]])<br />
<br />
Contribution 3<br />
*Categorized ([[Polymeric Composite Overwrap Pressure Vessel (COPV) Multiscale Modeling]]) by adding Metals and Materials categories<br />
*Categorized ([[ICME Overview for Steel Reinforced Concrete]]) by adding Geomaterials categories<br />
<br />
Contribution 4<br />
*Added Multiscale Modeling of Chromatin and Nucleosomes Video [[https://www.youtube.com/watch?v=4Z4KwuUfh0A]] to ([[Microscale]])<br />
<br />
Contribution 5<br />
*Added ([[Composite Carbon Fiber Reinforced Polymer Concrete Beams]])<br />
<br />
===Student 4===<br />
Contribution 2<br />
<br />
*Created page for the [[Makerbot Replicator 2X]] 3D printer<br />
Contribution 3<br />
<br />
* Linked the CAVS equipment webpage to [[Equipment|Equipment page]]<br />
<br />
* Linked 3 pages to the [[Multistage Fatigue|Multistage Fatigue page]]<br />
<br />
* Added categories to [[ICME Overview for Wrought Magnesium Alloys]] "Nanoscale" "Microscale" "Mesoscale"<br />
<br />
* Cross-linked [[Metals|Metals->Magnesium->Electronic Structure links]] to the [[Electronic Scale|Electronic Scale->Magnesium category]]<br />
<br />
* Added categories to [[MSF Uncertainty]] "Fatigue" "Uncertainty"<br />
Contribution 4<br />
<br />
*Added tutorial video for the [[Makerbot Replicator 2X]] 3D printer<br />
Contribution 5 <br />
<br />
* Added the following page to the ICME website [[Multistage Fatigue of a Cast Magnesium Subframe]]<br />
<br />
===Student 5===<br />
===Student 6===<br />
===Student 7===<br />
<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br><br />
Added the following journal articles:<br />
* [[Structure–property quantification of corrosion pitting under immersion and salt-spray environments on an extruded AZ61 magnesium alloy]]<br />
* [[Comparison of corrosion pitting under immersion and salt-spray environments on an as-cast AE44 magnesium alloy]]<br />
<br />
Contribution 2<br />
<br><br />
Created the following page:<br />
* [[Corrosion]]<br />
<br />
Contribution 3<br />
<br><br />
1. Added the following categories to * [[Quantification of corrosion mechanisms on an extruded AZ31 magnesium alloy]]: "Metals", "Macroscale", and "Microscale".<br />
<br><br />
2. Added the following categories to * [[Corrosion Behaviour of Extruded AM30 Magnesium Alloy]]: "Metals", "Macroscale", and "Microscale".<br />
<br><br />
3. Added the following categories to * [[Corrosion Fatigue Behavior of Extruded AM30 Magnesium Alloy]]: "Metals", "Macroscale", "Microscale", and "Research Paper".<br />
<br><br />
4. Crosslinked * [[Corrosion]] to the * [[Macroscale]] page.<br />
<br><br />
5. Crosslinked * [[Corrosion]] to "Metals".<br />
<br><br />
<br />
Contribution 4<br />
<br><br />
Added Corrosion Video to [[Corrosion]] and [[Microscale]]<br />
* [[https://www.youtube.com/watch?v=meBLy8hF1JU]]<br />
Added Q Fog Tutorial<br />
* [[https://icme.hpc.msstate.edu/mediawiki/images/c/ca/Q_Fog_Tutorial.pdf]]<br />
<br />
Contribution 5<br />
<br><br />
* [[ICME Multiscale Modeling of Corrosion Damage]]<br />
<br />
===Student 8===<br />
<br />
Contribution 1<br />
<br><br />
Added the following journal article:<br />
* [[Fatigue crack growth in magnesium single crystals under cyclic loading: Molecular dynamics simulation]]<br />
Contribution 2 <br />
* Filled in [[Scanning Electron Microscopes]] page<br />
Contribution 3<br />
<br> <br />
* Added the following categories to * [[ICME Overview for Alligator Gar Fish Scale]]: "Biomaterials", "Microscale", and "Nanoscale".<br />
* Added the following categories to * [[ICME Overview of Polymer Solar Cell Active Layer]]: "Polymers" ,Macroscale", "Microscale", and "Nanoscale".<br />
<br />
Contribution 4<br />
* Added a tutorial video about SEM Sample Preparation to the [[Scanning Electron Microscopes]] page<br />
<br />
Contribution 5<br />
* [[ICME Multiscale Modeling of MEMs Pressure Sensors Operating at High Temperature]]<br />
<br />
===Student 9===<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br><br />
Added the following journal articles:<br />
* [[Damage and stress state influence on the Bauschinger effect in aluminum alloys]]<br />
<br />
Contribution 2<br />
<br><br />
* Added Overview, Specimen Preparation, and EDS sections to the [[Transmission Electron Microscopy]] page. Added Biomaterials, Metal, and Microscale categorization. Added "similar to [[Scanning Electron Microscopes|SEM]]" crosslink.<br />
<br />
Contribution 3<br />
<br><br />
* Added Nanoscale and VASP categorization to [[Code: VASP compilation]] page.<br />
* Added VASP categorization to [[Cleanvaspfiles]] page.<br />
<br />
Contribution 4<br />
<br><br />
* Added a tutorial video for ABAQUS about a technique for adding a uniform mesh to a cylinder and performing a mesh convergence study to the [[Structural Scale]] and [[code: ABAQUS FEM]] pages. <br />
<br />
Contribution 5<br />
<br><br />
* [[ICME Overview of predicting the Specific Strength of Aluminum-Lithium Alloys]]<br />
<br />
===Student 10===<br />
CLAIMED <br><br />
Contribution 1<br><br />
Contribution 2<br><br />
Contribution 3<br><br />
Contribution 4<br><br />
Contribution 5<br><br />
<br />
===Student 11===<br />
CLAIMED<br />
<br />
Contribution 1<br />
<br><br />
*Added the following article to the ICME website [[Using a micromechanical finite element parametric study to motivate a phenomenological macroscale model for void/crack nucleation in aluminum with a hard second phase]]<br />
Contribution 2<br />
<br><br />
*filled in page for [[Code: CALCULIX|CALCULIX]] like that for [[Code: LAMMPS|LAMMPS]]<br />
Contribution 3<br />
<br><br />
*Created Category: [[Code: VCSG|VCSG]]<br />
*Added VCSG categorization to [[Code: VCSG]]<br />
<br />
Contribution 4<br />
<br><br />
*Added a tutorial for CalculiX about Thermal Conductance through a Flat Plate to the [[Structural Scale]].<br />
<br />
Contribution 5<br />
*[[ICME Overview of Carbon Nanotube Reinforced Concrete Fracture Analysis]]<br />
<br />
===Student 12===<br />
CLAIMED<br><br />
Contribution 1<br><br />
* Added the following article to the ICME website [[Quantitative fractographic analysis of variability in the tensile ductility of high-pressure die-cast AE44 Mg-alloy]]<br />
Contribution 2<br><br />
* Added page [[Sensitivity Analysis]]<br />
Contribution 3<br><br />
* Linked 4 pages to [[Microscale]]/Microscale Research/Metals section from [[Metals]]<br />
* Added the following categories to [[Code: VASP]] "Electronic Scale"<br />
* Added the following categories to [[Code: Quantum Espresso]] "Electronic Scale"<br />
* Added the following categories to [[Uncertainty of a Physically Motivated Internal State Variable Plasticity and Damage Model]] "Macroscale"<br />
* Added the following categories to [[Sensitivity Analysis]] "Uncertainty", "DMG", "Metamodeling"<br />
* Added the following categories to [[ICME Multi-scale Modeling of Copper-Tantalum Nanocrystalline Material]] "Metals", "Nanoscale", "Copper"<br />
Contribution 4<br><br />
* Added LAMMPS tutorial for installation with parallel processing capabilities in [[Nanoscale]]<br />
Contribution 5<br><br />
[[ICME Multi-scale Modeling of Copper-Tantalum Nanocrystalline Material]]<br />
<br />
===Student 13===<br />
===Student 14===<br />
===Student 15===<br />
<br />
CLAIMED<br />
<br />
Contribution 1<br />
<br><br />
* [[Nanostructurally small cracks (NSC): A review on atomistic modeling of fatigue|Nanostructurally small cracks (NSC): A review on atomistic modeling of fatigue]]<br />
<br />
Contribution 2<br />
<br><br />
* [[Additive Manufacturing]]<br />
<br />
Contribution 3<br />
<br><br />
* Added the following categories to LAMMPS and Nanoscale to [[Ca.log.lammps]]<br />
* Added the following categories to Aluminum and Metals to [[Properties of Aluminum]]<br />
* Added the following categories to LAMMPS, Metals and Aluminum to [[Making Atomistic Movies using AtomEye]]<br />
<br />
* Crosslinked to [[MTEX]] page from [[Microscale|Microscale]] page.<br />
* Crosslinked to [[Casting]] and [[Metals]] page from [[Process Modeling|Process Modeling]] page.<br />
* Crosslinked to [[Biomaterials]], [[Polymers]] and [[Ceramics]] page from [[Macroscale|Macroscale]] page<br />
* Crosslinked to [[MPC]], [[Polymers]], [[Ceramics]] and [[Equipment]] page from [[Nanoscale|Nanoscale]] page<br />
<br />
Contribution 4<br />
<br><br />
* Added a tutorial for MTEX [[MTEX]]<br />
<br />
Contribution 5<br />
<br><br />
*[[ICME Overview of Multiscale Structure-Property Relations for Cyclic Loading on Nitinol (NiTi) Procured from Additive Manufacturing (Laser Enhanced Net Shaping – LENS)]]<br />
<br />
===Student 16===<br />
===Student 17===<br />
===Student 18===<br />
===Student 19===<br />
===Student 20===<br />
CLAIMED<br />
<br />
Contribution 1<br />
<br />
[[A study on the structure and mechanical behavior of the ''Terrapene caroline'' carapace:A pathway to design bio-inspired syntheitic composites]]<br />
<br />
Contribution 2<br />
<br />
[[Code: Stabix]]<br />
<br />
Contribution 3<br />
<br>Add 3140 Steel to Category:Steel<br />
<br>Add 3104 Steel Stress-Strain Curve to Category:Steel<br />
<br />
Contribution 4<br />
<br />
Linked video to website about Using Matlab for the First Time by MIT OpenCourseWare<br />
<li> [[https://www.youtube.com/watch?v=jTS5ZmrrzMs Using Matlab for the First Time]]<br />
<br />
<br><br />
<br><br />
Contribution 5<br />
<br />
[[Research Proposal for Multistage Fatigue Model of AlMg Alloy using ICME]]<br />
<br />
===Student 21===<br />
===Student 22===<br />
===Student 23===<br />
===Student 24===<br />
===Student 25===<br />
===Student 26===<br />
===Student 27===<br />
===Student 28===<br />
===Student 29===<br />
===Student 30===<br />
===Student 31===<br />
===Student 32===<br />
===Student 33===<br />
Contribution 1<br />
*Added ([[First principles calculations of doped MnBi compounds]]) to ([[Electronic Scale]])<br />
<br><br />
<br />
Contribution 2<br />
*Added ([[VASP Example: Calculate Energy-Lattice Parameter curve for MnBiNi ]])to ([[Code: VASP ]]) <br />
<br><br />
<br />
Contribution 3<br />
*Categorized [[Raptor PBS]] by adding "VASP", "LAMMPS", and "Electronic scale".<br />
*Categorized [[VASP Example Run for Calcium: Input files]] by adding "VASP", "DFT", "Electronic Scale", "Calcium".<br />
<br />
<br><br />
<br />
Contribution 4<br />
*Added Video Fatigue Failure Analysis .[[https://youtu.be/ywDsB3umK2Y]] to ([[Fatigue ]])<br />
<br><br />
<br />
Contribution 5<br />
*Added ([[Miniaturization of electronic component Copper- Copper Oxide]])to ([[ICME]])<br />
<br />
===Student 34===<br />
===Student 35===</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/ICME_Student_Contributions_2017_-_MsStateICME Student Contributions 2017 - MsState2017-04-12T15:17:14Z<p>Ddrake: /* Student 1 */</p>
<hr />
<div>[[CME 8373 Student Contributions (Spring 2017)|< ICME 2017 Student Contributions]]<br />
<br />
=Student Contributions=<br />
<br />
===Student 1===<br />
Student Contribution 1<br />
<br />
* Added the following paper to the ICME website [[Creep characterization of vapor-grown carbon nanofiber/vinyl ester nanocomposites using a response surface methodology]]<br />
<br />
Student Contribution 2<br />
<br />
* Added “Modeling Uncertainty” page ([[Modeling Uncertainty]])<br />
<br />
Student Contribution 3<br />
<br />
* Added the following categories to [[Composite Overview]]: "[[Polymers]]".<br />
* Added the following categories to [[Animation]]: "[[Dislocation Dynamics]]".<br />
* Added the following categories to [[Cast Iron: Compacted Graphite Iron]]: "[[Crystal Plasticity]]" & [[Metals]].<br />
* Added the following categories to [[Ca.library.meam]]: "[[Electronic Scale]],", [[MPC]], [Metals]].<br />
<br />
Student Contribution 4<br />
<br />
Added Installation Video to [[LAMMPS tutorials]] and [[Nanoscale]]<br />
* [[https://www.youtube.com/watch?v=UgmABjwrra0 Installation]]<br />
<br />
Student Contribution 5<br />
<br />
Added the following page to the ICME website: "[[A proposal to Investigate Stitched Composites Undergoing Delamination Using Multiscale Modeling Approach]]"<br />
<br />
===Student 2===<br />
<br />
Student Contribution 1<br />
<br />
* Added the following paper to the ICME website [[Multiscale structure-property relationships of ultra-high performance concrete]]<br />
<br />
Student Contribution 2<br />
<br />
* Added “Reinforced Concrete” page ([[Reinforced Concrete]])<br />
<br />
Student Contribution 3<br />
<br />
* Added the following categories to [[Reinforced Concrete]] page: Geomaterials "[[Mesoscale]]"<br />
* Added the following categories to [[A mesomechanics parametric finite element study of damage growth and coalescence in polymers using an Elastoviscoelastic-Viscoplastic internal state variable model]]: "[[Research Paper]]"<br />
* Added the following link to [[Mesoscale]] and Geomaterials: "[[Reinforced Concrete]]"<br />
<br />
Student Contribution 4<br />
<br />
Added Installation Video to [[Reinforced Concrete]]<br />
* [[https://www.youtube.com/watch?v=MIM4r59y4bQ]]<br />
<br />
Student Contribution 5<br />
<br />
* [[ICME Multi-scale Modelling of Ultra High Performance Concrete (UHPC)]]<br />
<br />
===Student 3===<br />
Contribution 1<br />
*Added ([[Optimization|An Efficient Non-dominated Sorting Method<br />
for Evolutionary Algorithms]]) to ([[Optimization]])<br />
<br />
Contribution 2<br />
*Added ([[Civil Engineering Materials]])<br />
<br />
Contribution 3<br />
*Categorized ([[Polymeric Composite Overwrap Pressure Vessel (COPV) Multiscale Modeling]]) by adding Metals and Materials categories<br />
*Categorized ([[ICME Overview for Steel Reinforced Concrete]]) by adding Geomaterials categories<br />
<br />
Contribution 4<br />
*Added Multiscale Modeling of Chromatin and Nucleosomes Video [[https://www.youtube.com/watch?v=4Z4KwuUfh0A]] to ([[Microscale]])<br />
<br />
Contribution 5<br />
*Added ([[Composite Carbon Fiber Reinforced Polymer Concrete Beams]])<br />
<br />
===Student 4===<br />
Contribution 2<br />
<br />
*Created page for the [[Makerbot Replicator 2X]] 3D printer<br />
Contribution 3<br />
<br />
* Linked the CAVS equipment webpage to [[Equipment|Equipment page]]<br />
<br />
* Linked 3 pages to the [[Multistage Fatigue|Multistage Fatigue page]]<br />
<br />
* Added categories to [[ICME Overview for Wrought Magnesium Alloys]] "Nanoscale" "Microscale" "Mesoscale"<br />
<br />
* Cross-linked [[Metals|Metals->Magnesium->Electronic Structure links]] to the [[Electronic Scale|Electronic Scale->Magnesium category]]<br />
<br />
* Added categories to [[MSF Uncertainty]] "Fatigue" "Uncertainty"<br />
Contribution 4<br />
<br />
*Added tutorial video for the [[Makerbot Replicator 2X]] 3D printer<br />
Contribution 5 <br />
<br />
* Added the following page to the ICME website [[Multistage Fatigue of a Cast Magnesium Subframe]]<br />
<br />
===Student 5===<br />
===Student 6===<br />
===Student 7===<br />
<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br><br />
Added the following journal articles:<br />
* [[Structure–property quantification of corrosion pitting under immersion and salt-spray environments on an extruded AZ61 magnesium alloy]]<br />
* [[Comparison of corrosion pitting under immersion and salt-spray environments on an as-cast AE44 magnesium alloy]]<br />
<br />
Contribution 2<br />
<br><br />
Created the following page:<br />
* [[Corrosion]]<br />
<br />
Contribution 3<br />
<br><br />
1. Added the following categories to * [[Quantification of corrosion mechanisms on an extruded AZ31 magnesium alloy]]: "Metals", "Macroscale", and "Microscale".<br />
<br><br />
2. Added the following categories to * [[Corrosion Behaviour of Extruded AM30 Magnesium Alloy]]: "Metals", "Macroscale", and "Microscale".<br />
<br><br />
3. Added the following categories to * [[Corrosion Fatigue Behavior of Extruded AM30 Magnesium Alloy]]: "Metals", "Macroscale", "Microscale", and "Research Paper".<br />
<br><br />
4. Crosslinked * [[Corrosion]] to the * [[Macroscale]] page.<br />
<br><br />
5. Crosslinked * [[Corrosion]] to "Metals".<br />
<br><br />
<br />
Contribution 4<br />
<br><br />
Added Corrosion Video to [[Corrosion]] and [[Microscale]]<br />
* [[https://www.youtube.com/watch?v=meBLy8hF1JU]]<br />
Added Q Fog Tutorial<br />
* [[https://icme.hpc.msstate.edu/mediawiki/images/c/ca/Q_Fog_Tutorial.pdf]]<br />
<br />
Contribution 5<br />
<br><br />
* [[ICME Multiscale Modeling of Corrosion Damage]]<br />
<br />
===Student 8===<br />
<br />
Contribution 1<br />
<br><br />
Added the following journal article:<br />
* [[Fatigue crack growth in magnesium single crystals under cyclic loading: Molecular dynamics simulation]]<br />
Contribution 2 <br />
* Filled in [[Scanning Electron Microscopes]] page<br />
Contribution 3<br />
<br> <br />
* Added the following categories to * [[ICME Overview for Alligator Gar Fish Scale]]: "Biomaterials", "Microscale", and "Nanoscale".<br />
* Added the following categories to * [[ICME Overview of Polymer Solar Cell Active Layer]]: "Polymers" ,Macroscale", "Microscale", and "Nanoscale".<br />
<br />
Contribution 4<br />
* Added a tutorial video about SEM Sample Preparation to the [[Scanning Electron Microscopes]] page<br />
<br />
Contribution 5<br />
* [[ICME Multiscale Modeling of MEMs Pressure Sensors Operating at High Temperature]]<br />
<br />
===Student 9===<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br><br />
Added the following journal articles:<br />
* [[Damage and stress state influence on the Bauschinger effect in aluminum alloys]]<br />
<br />
Contribution 2<br />
<br><br />
* Added Overview, Specimen Preparation, and EDS sections to the [[Transmission Electron Microscopy]] page. Added Biomaterials, Metal, and Microscale categorization. Added "similar to [[Scanning Electron Microscopes|SEM]]" crosslink.<br />
<br />
Contribution 3<br />
<br><br />
* Added Nanoscale and VASP categorization to [[Code: VASP compilation]] page.<br />
* Added VASP categorization to [[Cleanvaspfiles]] page.<br />
<br />
Contribution 4<br />
<br><br />
* Added a tutorial video for ABAQUS about a technique for adding a uniform mesh to a cylinder and performing a mesh convergence study to the [[Structural Scale]] and [[code: ABAQUS FEM]] pages. <br />
<br />
Contribution 5<br />
<br><br />
* [[ICME Overview of predicting the Specific Strength of Aluminum-Lithium Alloys]]<br />
<br />
===Student 10===<br />
CLAIMED <br><br />
Contribution 1<br><br />
Contribution 2<br><br />
Contribution 3<br><br />
Contribution 4<br><br />
Contribution 5<br><br />
<br />
===Student 11===<br />
CLAIMED<br />
<br />
Contribution 1<br />
<br><br />
*Added the following article to the ICME website [[Using a micromechanical finite element parametric study to motivate a phenomenological macroscale model for void/crack nucleation in aluminum with a hard second phase]]<br />
Contribution 2<br />
<br><br />
*filled in page for [[Code: CALCULIX|CALCULIX]] like that for [[Code: LAMMPS|LAMMPS]]<br />
Contribution 3<br />
<br><br />
*Created Category: [[Code: VCSG|VCSG]]<br />
*Added VCSG categorization to [[Code: VCSG]]<br />
<br />
Contribution 4<br />
<br><br />
*Added a tutorial for CalculiX about Thermal Conductance through a Flat Plate to the [[Structural Scale]].<br />
<br />
Contribution 5<br />
*[[ICME Overview of Carbon Nanotube Reinforced Concrete Fracture Analysis]]<br />
<br />
===Student 12===<br />
CLAIMED<br><br />
Contribution 1<br><br />
* Added the following article to the ICME website [[Quantitative fractographic analysis of variability in the tensile ductility of high-pressure die-cast AE44 Mg-alloy]]<br />
Contribution 2<br><br />
* Added page [[Sensitivity Analysis]]<br />
Contribution 3<br><br />
* Linked 4 pages to [[Microscale]]/Microscale Research/Metals section from [[Metals]]<br />
* Added the following categories to [[Code: VASP]] "Electronic Scale"<br />
* Added the following categories to [[Code: Quantum Espresso]] "Electronic Scale"<br />
* Added the following categories to [[Uncertainty of a Physically Motivated Internal State Variable Plasticity and Damage Model]] "Macroscale"<br />
* Added the following categories to [[Sensitivity Analysis]] "Uncertainty", "DMG", "Metamodeling"<br />
* Added the following categories to [[ICME Multi-scale Modeling of Copper-Tantalum Nanocrystalline Material]] "Metals", "Nanoscale", "Copper"<br />
Contribution 4<br><br />
* Added LAMMPS tutorial for installation with parallel processing capabilities in [[Nanoscale]]<br />
Contribution 5<br><br />
[[ICME Multi-scale Modeling of Copper-Tantalum Nanocrystalline Material]]<br />
<br />
===Student 13===<br />
===Student 14===<br />
===Student 15===<br />
<br />
CLAIMED<br />
<br />
Contribution 1<br />
<br><br />
* [[Nanostructurally small cracks (NSC): A review on atomistic modeling of fatigue|Nanostructurally small cracks (NSC): A review on atomistic modeling of fatigue]]<br />
<br />
Contribution 2<br />
<br><br />
* [[Additive Manufacturing]]<br />
<br />
Contribution 3<br />
<br><br />
* Added the following categories to LAMMPS and Nanoscale to [[Ca.log.lammps]]<br />
* Added the following categories to Aluminum and Metals to [[Properties of Aluminum]]<br />
* Added the following categories to LAMMPS, Metals and Aluminum to [[Making Atomistic Movies using AtomEye]]<br />
<br />
* Crosslinked to [[MTEX]] page from [[Microscale|Microscale]] page.<br />
* Crosslinked to [[Casting]] and [[Metals]] page from [[Process Modeling|Process Modeling]] page.<br />
* Crosslinked to [[Biomaterials]], [[Polymers]] and [[Ceramics]] page from [[Macroscale|Macroscale]] page<br />
* Crosslinked to [[MPC]], [[Polymers]], [[Ceramics]] and [[Equipment]] page from [[Nanoscale|Nanoscale]] page<br />
<br />
Contribution 4<br />
<br><br />
* Added a tutorial for MTEX [[MTEX]]<br />
<br />
Contribution 5<br />
<br><br />
*[[ICME Overview of Multiscale Structure-Property Relations for Cyclic Loading on Nitinol (NiTi) Procured from Additive Manufacturing (Laser Enhanced Net Shaping – LENS)]]<br />
<br />
===Student 16===<br />
===Student 17===<br />
===Student 18===<br />
===Student 19===<br />
===Student 20===<br />
CLAIMED<br />
<br />
Contribution 1<br />
<br />
[[A study on the structure and mechanical behavior of the ''Terrapene caroline'' carapace:A pathway to design bio-inspired syntheitic composites]]<br />
<br />
Contribution 2<br />
<br />
[[Code: Stabix]]<br />
<br />
Contribution 3<br />
<br>Add 3140 Steel to Category:Steel<br />
<br>Add 3104 Steel Stress-Strain Curve to Category:Steel<br />
<br />
Contribution 4<br />
<br />
Linked video to website about Using Matlab for the First Time by MIT OpenCourseWare<br />
<li> [[https://www.youtube.com/watch?v=jTS5ZmrrzMs Using Matlab for the First Time]]<br />
<br />
<br><br />
<br><br />
Contribution 5<br />
<br />
[[Research Proposal for Multistage Fatigue Model of AlMg Alloy using ICME]]<br />
<br />
===Student 21===<br />
===Student 22===<br />
===Student 23===<br />
===Student 24===<br />
===Student 25===<br />
===Student 26===<br />
===Student 27===<br />
===Student 28===<br />
===Student 29===<br />
===Student 30===<br />
===Student 31===<br />
===Student 32===<br />
===Student 33===<br />
Contribution 1<br />
*Added ([[First principles calculations of doped MnBi compounds]]) to ([[Electronic Scale]])<br />
<br><br />
<br />
Contribution 2<br />
*Added ([[VASP Example: Calculate Energy-Lattice Parameter curve for MnBiNi ]])to ([[Code: VASP ]]) <br />
<br><br />
<br />
Contribution 3<br />
*Categorized [[Raptor PBS]] by adding "VASP", "LAMMPS", and "Electronic scale".<br />
*Categorized [[VASP Example Run for Calcium: Input files]] by adding "VASP", "DFT", "Electronic Scale", "Calcium".<br />
<br />
<br><br />
<br />
Contribution 4<br />
*Added Video Fatigue Failure Analysis .[[https://youtu.be/ywDsB3umK2Y]] to ([[Fatigue ]])<br />
<br><br />
<br />
Contribution 5<br />
*Added ([[Miniaturization of electronic component Copper- Copper Oxide]])to ([[ICME]])<br />
<br />
===Student 34===<br />
===Student 35===</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/Ca.library.meamCa.library.meam2017-04-12T15:16:30Z<p>Ddrake: </p>
<hr />
<div>This is one of the potential files. This specifies the parameters relating to pure element of Calcium. It is also possible to have parameters of other pure elements. That way you can have one ''library.meam'' file for all alloy potentials and have different files for parameters describing pair interactions between different elements.<br />
<br />
<br />
<br />
{|border ="1"<br />
|<pre><br />
#meam data Calcium<br />
# elt lat z ielement atwt<br />
# alpha b0 b1 b2 b3 alat esub asub<br />
# t0 t1 t2 t3 rozero ibar<br />
'Ca' fcc 12 20 40.078<br />
4.7 2.2 0.01 1.0 1.0 5.58 1.84 1.0<br />
1.0 12.0 0.3 2.0 1.0 0<br />
</pre><br />
|}<br />
<br />
==See==<br />
<br />
*[[Ca.meam]]<br />
*[[Ca.in.meam]]<br />
*[[Ca.pos]]<br />
<br />
==Go Back==<br />
*[[Ca]]<br />
*[[MaterialModels:_Electronic_Scale|Electronic Scale]]<br />
<br />
[[Category:Electronic Scale]]<br />
[[Category:MPC]]<br />
[[Category:Metals]]</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/Ca.library.meamCa.library.meam2017-04-12T15:16:11Z<p>Ddrake: </p>
<hr />
<div>This is one of the potential files. This specifies the parameters relating to pure element of Calcium. It is also possible to have parameters of other pure elements. That way you can have one ''library.meam'' file for all alloy potentials and have different files for parameters describing pair interactions between different elements.<br />
<br />
<br />
<br />
{|border ="1"<br />
|<pre><br />
#meam data Calcium<br />
# elt lat z ielement atwt<br />
# alpha b0 b1 b2 b3 alat esub asub<br />
# t0 t1 t2 t3 rozero ibar<br />
'Ca' fcc 12 20 40.078<br />
4.7 2.2 0.01 1.0 1.0 5.58 1.84 1.0<br />
1.0 12.0 0.3 2.0 1.0 0<br />
</pre><br />
|}<br />
<br />
==See==<br />
<br />
*[[Ca.meam]]<br />
*[[Ca.in.meam]]<br />
*[[Ca.pos]]<br />
<br />
==Go Back==<br />
*[[Ca]]<br />
*[[MaterialModels:_Electronic_Scale|Electronic Scale]]<br />
<br />
[[Category:Electronic Scale]]<br />
[[Category:MEAM Parameter Fitting Strategy]]<br />
[[Category:MPC]]<br />
[[Category:MPCv2]]<br />
[[Category:MPCv3]]<br />
[[Category:Metals]]</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/Creep_characterization_of_vapor-grown_carbon_nanofiber/vinyl_ester_nanocomposites_using_a_response_surface_methodologyCreep characterization of vapor-grown carbon nanofiber/vinyl ester nanocomposites using a response surface methodology2017-04-12T15:13:47Z<p>Ddrake: </p>
<hr />
<div>{{template:Research_Paper<br />
<br />
|abstract= <br />
[[Image:CCD_Design.jpg|thumb|300px|right| Central Composite Design. ]]<br />
The effects of selected factors such as vapor-grown carbon nanofiber (VGCNF) weight fraction, applied stress, and temperature<br />
on the viscoelastic responses (creep strain and creep compliance) of VGCNF/vinyl ester (VE) nanocomposites were studied<br />
using a central composite design (CCD). Nanocomposite test articles were fabricated by high-shear mixing, casting, curing, and post curing in an open-face mold under a nitrogen environment. Short-term creep/creep recovery experiments were conducted at prescribed combinations of temperature (23.8–69.2C), applied stress (30.2–49.8 MPa), and VGCNF weight fraction (0.00–1.00 parts of VGCNF per hundred parts of resin) determined from the CCD. Response surface models (RSMs) for predicting these viscoelastic responses were developed using the least squares method and an analysis of variance procedure. The response surface estimates indicate that increasing the VGCNF weight fraction marginally increases the creep resistance of the VGCNF/VE nanocomposite at low temperatures (i.e., 23.8–46.5C). However, increasing the VGCNF weight fraction decreased the creep resistance of these nanocomposites for temperatures greater than 50C. The latter response may be due to a decrease in the nanofiber-to-matrix adhesion as the temperature is increased. The RSMs for creep strain and creep compliance revealed the interactions between the VGCNF weight fraction, stress, and temperature on the creep behavior of thermoset polymer nanocomposites. The design of experiments approach is useful in revealing interactions between selected factors, and thus can facilitate the development of more physics-based models.<br />
<br />
|authors= Daniel A. Drake, Rani W. Sullivan, Thomas E. Lacy, Charles U. Pittman, Jr., Hossein Toghiani, Janice L. DuBien, Sasan Nouranian, Jutima Simsiriwong<br />
<br />
Corresponding Author: [Sullivan@ae.msstate.edu Rani W. Sulivan, Ph.D.]<br />
<br />
|material model= Use a central composite design of experiments approach ([[Metamodeling]]) to determine the viscoelastic behavior of vinyl ester nanocomposites.<br />
<br />
|input deck= Simulations are not required as this paper is purely experimental.<br />
<br />
|animation=<br />
<br />
|images=<br />
{{paper_figure|image=Stages_Of_Creep.jpg|image caption=Figure 1. Stages of Creep.}}<br />
<br />
|methodology= To model the viscoelastic behavioral response of the nanocomposites, creep experiments were performed at varying stress levels and temperatures. The creep strain and compliance were modeled using a Prony series representation in conjunction with the Boltzmann superposition principle (BSP). Creep strains and creep compliances were selected at varying times and modeled using a central composite design of experiments approach. This design of experiments approach allowed for the development of response surface models of the creep compliance and creep strain. These are seen in the images below<br />
<br />
|results= <br />
<table width="100%" cellspacing="3" cellpadding="5"><br />
<tr><br />
<td colspan="2"> The creep strain and creep compliance as a function of the vapor-grown carbon nanofiber (VGCNF) weight fraction and temperature are shown below.<br />
</td><br />
</tr><br />
<tr><br />
<td align="center"><br />
<table><br />
<tr><br />
<td> [[Image:Creep_Strain_3D.jpg|thumb|500px| Creep Compliance as a Function of Temperature and VGCNF Weight Fraction.]]</td><br />
<td> [[Image:Creep_Compliance_3D.jpg|thumb|500px| Creep Strain as a Function of Temperature and VGCNF Weight Fraction.]]</td><br />
</tr><tr><br />
</tr><br />
</table><br />
</td><br />
<td valign="top"><br />
</td><br />
</tr><br />
</table><br />
<br />
<br />
<br />
<br />
|acknowledgement=Support from the Center for Advanced Vehicular Systems at Mississippi State University is gratefully acknowledged <br />
<br />
|references=<br />
<br />
D. Drake, R.W. Sullivan, H. Toghiani, S. Nouranian, T.E. Lacy, C. U. Pittman, Jr., J.L. DuBien, J. Simsiriwong. “Creep Compliance Characterization of Vapor-Grown Carbon Nanofiber/Vinyl Ester Nanocomposites Using a Central Composite Design of Experiments,” J. Appl. Polym. Sci., 132, 42162, doi: 10.1002/app.42162.<br />
<br />
<br />
<br />
}}<br />
<br />
<br />
[[Category: Research Paper]]<br />
[[Category: macroscale]]<br />
[[Category: Metamodeling]]<br />
[[Category: Polymer]]</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/ICME_2017_HW3ICME 2017 HW32017-04-10T23:23:56Z<p>Ddrake: /* Step 5 */ Group Homework 3 - CPU to process job faster comment.</p>
<hr />
<div>[[ICME 2017|< Back to ICME 2017 Course Overview]]<br />
<br />
=Overview=<br />
In this homework, we will bridge information from the [[:Category:Microscale| microscale]] to the [[:Category:Mesoscale| mesoscale]]. You will perform dislocation dynamics simulations with multiple Frank Read sources to determine parameters for a hardening rule which will be used in a crystal plasticity code (CPFEM). Thus, there are two parts to this assignment:<br />
* Dislocation Dynamics (DD) using Multiscale Dislocation Dynamics Plasticity (MDDP)<br />
* Crystal Plasticity (CPFEM) implemented as a user material routine in <u>[[Code: ABAQUS FEM | ABAQUS]]</u> or <u>[[Code: CALCULIX | Calculix]]</u><br />
<br />
This exercise uses the hardening law parameters obtained from DD calculations. The hardening law for slip systems is a critical aspect of crystal plasticity models and contains material related parameters which are difficult to obtain from experiments. Thus, DD serves as a "virtual experiment" from which the hardening parameters can be determined.<br />
<br />
All necessary input files and scripts are available through the website. Save these files to your own directory (and make a backup copy) before trying to perform any simulations.<br />
<br />
Use /scratch/"Your Directory" for best results.<br />
<br />
Write a full report that follows a journal article manuscript format (include figures and tables in the text). '''Please double-space your document'''<br />
<br />
Upon completion, submit via email a .pdf and .doc(x) file of your report. Be sure to also include the requested files and plots from each section of the homework.<br />
<br />
=Part 1 - Dislocation Dynamics Virtual Experiment=<br />
<br />
==Objectives==<br />
<br />
This exercise uses dislocation dynamics calculations to determine the parameters of the hardening law used in crystal plasticity. The hardening law for the slip systems is a critical aspect of crystal plasticity models and contains material related parameters that are hard to obtain from experiments. Dislocation dynamics can serve as a “virtual experiment” from which the hardening parameters can be determine using a fitting procedure.<br />
<br />
==Environment Setup==<br />
<br />
The setup for MDDP is the same as in the [[ICME 2017 HW2|previous homework]].<br />
<br />
==Dislocation Forest Hardening==<br />
<br />
The steps to run and post-process the results from MDDP will be the same as in the [[ICME 2017 HW2|previous homework]]. However, this time you need to create a DDinput file that includes multiple Frank-Read sources (FRS). <br />
<br />
If you are using an FCC material, you can use the <code>data</code> and <code>DDinput</code> files in the "<code>Examples/MFRS</code>" folder of the MDDP zip file. Remember to edit these files with your material parameters.<br />
<br />
You can also create a structure yourself with the FCC or BCC pre-processor. Keep in mind that the more FRS's you have, the longer the simulation will take to run, as the more nodes it will have to simulate. However, if there are too few, the simulation may not be representative of the real material. Try to aim for an initial dislocation density (plotted from the MDDP out files) of 1.E+11 to 1.E+12.<br />
<br />
You can use a time step with the preprocessor of about 1 - but for the BCC preprocessor, you will need to manually edit the timestep in <code>DDinput</code> file. Modify the fourth value in the second section:<br />
<pre><br />
2: timenow totalstrn stress deltt dbt load_type<br />
0.00000000 0.00000000 0.00000000 1.0 1.00000001E-07 0<br />
</pre><br />
<br />
You will need to make one additional change to your <code>data</code> file, to change the kind of boundaries in the simulations cell. Change the relevant line to:<br />
<pre><br />
4: npolorder, ncell, ifree (0,1 or 3), nsface1(3), nsface2(3)<br />
1 0 1 1 1 1 1 1 1<br />
</pre><br />
<br />
<br />
===Homework Assignment===<br />
:1. Using the three stress-strain curves from dislocation dynamics and by assuming a linear fit to the work hardening (post-yield portion of stress-strain curve), estimate the slope of the linear hardening regime. How does uncertainty affect the linear assumption? Is there a better assumption than linearity?<br />
:2. Fit dislocation density results to the Voce Hardening Law (Equation 9.9 in ICME textbook).<br />
:3. Report on your results<br />
<br />
=Part 2 - Upscale Dislocation Forest Hardening to Crystal Plasticity=<br />
<br />
==Objectives==<br />
* Run a one-element finite element simulation using the Voce hardening law with one crystal orientation.<br />
* Plot a stress strain curve for each set of hardening constants. <br />
* Report on your results.<br />
<br />
==Environment Setup==<br />
This part of the assignment can be completed in either <u>[[Code: ABAQUS FEM | ABAQUS]]</u> on a Mississippi State computer, or any other fully licensed Abaqus, or on <u>[[Code: CALCULIX | Calculix]]</u>, a free, open-source FEA solver. You can find a tutorial for the ABAQUS CPFEM setup and use [https://www.youtube.com/watch?v=_0uk_mdyMZY&t=1s here].<br />
<br />
For either software, you will need all of the input files for CPFEM in an aluminum material found[[Code: ABAQUS CPFEM | here]]. If you are using a bcc material, save <u>[[Media:Bcc.txt|this]]</u> file as <code>bcc.sx</code> and use it instead of <code>fcc.sx</code>. <br />
<br />
For Calculix, also download the additional umat files and compile as described [[CPFEM for Calculix|here]].<br />
<br />
==Single Crystal CPFEM Simulation==<br />
===Step 1===<br />
<br />
Create the input file.<br />
<br />
''(Hint: Calculix and Abaqus can take the same input files.)''<br />
<br />
# Create a cube<br />
# Constrain the cube so that all rigid body displacements and rotations are constrained. <br />
## Constrain one corner of the cube to be fixed in all directions<br />
## Constrain two adjacent nodes to be fixed in the direction of loading. Make sure that these 3 nodes are all in a plane which is perpendicular to the direction of loading.<br />
## Constrain one of these two adjacent nodes to be fixed in a second direction, such that this node cannot rotate about the fixed corner of the cube.<br />
# Mesh the cube such that only a single element is created.<br />
# Add a displacement to the face opposite of the constrained face, such that a large strain is applied to the cube.<br />
# Create a material section and apply it to the cube.<br />
# Add a material to the cube (in Calculix, name it XTAL)<br />
## Set the number of dependent variables (<code>*DEPVAR</code>) equal to the number of grains times 70. <br />
## Set the material to be a user material with two mechanical constants: #1 = 1; #2 = 1.<br />
## Do not forget to apply this material to the Section<br />
<br />
An example Calculix input file can be found [[Media:Single-element.inp.txt|here]]. Make sure you save the file with a *.inp extension NOT a *.txt extension.<br />
<br />
In this file, the displacement can be controlled from the following lines:<br />
<pre><br />
*Boundary, Amplitude=Stretch<br />
Ndisp, 3,3, 0.75<br />
</pre><br />
<br />
Change <code>3,3</code> to control the direction of displacement, where <code>1 = x, 2 = y, 3 = z</code>. Change <code>0.75</code> to control the magnitude and direction (+/-) of the displacement.<br />
<br />
===Step 2===<br />
Set up the CPFEM input files.<br />
<br />
*In the umat_xtal.f file, edit the line <pre>data filePath&#10;& /'/cavs/cmd/data1/users/qma/abaqus_xtalplas/oneelement/'/</pre> to be the directory where your crystal plasticity inputs are stored.<br />
**(FOR CALCULIX) Comment out the line <pre>include 'ABA_PARAM.INC'</pre> by adding a "c" to the beginning of the line.<br />
*Edit the texture.txti file to include only a single crystal.<br />
**Change the first line to 1<br />
**Leave the second line!<br />
**Leave only one of the lines containing the Euler angles for the crystal orientations.<br />
*In the test.xtali input file, change the second number on the first line to 1, for the number of grains.<br />
**Make sure the line with <pre>fcc.sx / single crystal input file</pre> is updated to reflect the crystal structure of your material.<br />
<br />
===Step 4===<br />
Change the single crystal input file (fcc.sx or bcc.sx) to match that of your material<br />
The following lines need to be edited with the single crystal elastic constants of your material:<br />
<pre><br />
108.2e3 61.3e3 28.5e3 / c11(c1), c12(c2), c44(c3) / # These numbers should match c11, c12, and c44 for your material<br />
</pre><br />
<br />
Then, for each slip system in use, edit these lines with the values calculated from [[ICME 2017 HW2|Homework 2]], or Part 1 of this homework.<br />
<pre><br />
2.e-5 / bdrag / # This should match the drag coefficient obtained in Homework 2<br />
35.5 39.5 1.85 0.0-4 5.0e10 / h0, tausi, taus0, xms, gamss0 / # The first three should match the values obtained in Part 1<br />
</pre><br />
<br />
===Step 5===<br />
Run the simulation<br />
<br />
The finite element simulation can be run locally, as it is a very small simulation.<br />
<br />
For Abaqus, run the job with <pre>abaqus job=<YOUR_INPUTFILE_NAME> user=umat_xtal.f</pre><br />
<br />
If you wish to increase the number of CPUs to process the job faster, insert "cpus=12" at the end of the above command. The max number of CPUs raptor allows a single user is 12.<br />
<br />
Similarly, for Calculix, run the job with <pre>ccx <YOUR_INPUTFILE_NAME></pre><br />
<br />
For both, make sure to enter the job name without the ".inp" extension.<br />
<br />
===Step 6===<br />
Access the results<br />
<br />
* ABAQUS simulation output is stored in an output database file with extension ".odb". ODB files can be visualized and post processed in ABAQUS CAE or ABAQUS VIEWER.<br />
* Calculix output can be found in the ".dat" files. You can use [[Media:Ccx reader.txt|this]] script to convert it to an element averaged stress-strain.<br />
<br />
===Homework Assignment===<br />
:1. Plot the single crystal stress-strain curves from the single element simulation for tension, compression, and torsion (simple shear).<br />
<br />
<br />
=Room for Improvement=<br />
As with the previous homeworks, improve the tutorial(s) by adding/modifying the ICME website for:<br />
:1. Dislocation dynamics (MDDP)<br />
:2. Crystal Plasticity</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/ICME_2017_HW3ICME 2017 HW32017-04-10T23:22:15Z<p>Ddrake: /* Step 5 */</p>
<hr />
<div>[[ICME 2017|< Back to ICME 2017 Course Overview]]<br />
<br />
=Overview=<br />
In this homework, we will bridge information from the [[:Category:Microscale| microscale]] to the [[:Category:Mesoscale| mesoscale]]. You will perform dislocation dynamics simulations with multiple Frank Read sources to determine parameters for a hardening rule which will be used in a crystal plasticity code (CPFEM). Thus, there are two parts to this assignment:<br />
* Dislocation Dynamics (DD) using Multiscale Dislocation Dynamics Plasticity (MDDP)<br />
* Crystal Plasticity (CPFEM) implemented as a user material routine in <u>[[Code: ABAQUS FEM | ABAQUS]]</u> or <u>[[Code: CALCULIX | Calculix]]</u><br />
<br />
This exercise uses the hardening law parameters obtained from DD calculations. The hardening law for slip systems is a critical aspect of crystal plasticity models and contains material related parameters which are difficult to obtain from experiments. Thus, DD serves as a "virtual experiment" from which the hardening parameters can be determined.<br />
<br />
All necessary input files and scripts are available through the website. Save these files to your own directory (and make a backup copy) before trying to perform any simulations.<br />
<br />
Use /scratch/"Your Directory" for best results.<br />
<br />
Write a full report that follows a journal article manuscript format (include figures and tables in the text). '''Please double-space your document'''<br />
<br />
Upon completion, submit via email a .pdf and .doc(x) file of your report. Be sure to also include the requested files and plots from each section of the homework.<br />
<br />
=Part 1 - Dislocation Dynamics Virtual Experiment=<br />
<br />
==Objectives==<br />
<br />
This exercise uses dislocation dynamics calculations to determine the parameters of the hardening law used in crystal plasticity. The hardening law for the slip systems is a critical aspect of crystal plasticity models and contains material related parameters that are hard to obtain from experiments. Dislocation dynamics can serve as a “virtual experiment” from which the hardening parameters can be determine using a fitting procedure.<br />
<br />
==Environment Setup==<br />
<br />
The setup for MDDP is the same as in the [[ICME 2017 HW2|previous homework]].<br />
<br />
==Dislocation Forest Hardening==<br />
<br />
The steps to run and post-process the results from MDDP will be the same as in the [[ICME 2017 HW2|previous homework]]. However, this time you need to create a DDinput file that includes multiple Frank-Read sources (FRS). <br />
<br />
If you are using an FCC material, you can use the <code>data</code> and <code>DDinput</code> files in the "<code>Examples/MFRS</code>" folder of the MDDP zip file. Remember to edit these files with your material parameters.<br />
<br />
You can also create a structure yourself with the FCC or BCC pre-processor. Keep in mind that the more FRS's you have, the longer the simulation will take to run, as the more nodes it will have to simulate. However, if there are too few, the simulation may not be representative of the real material. Try to aim for an initial dislocation density (plotted from the MDDP out files) of 1.E+11 to 1.E+12.<br />
<br />
You can use a time step with the preprocessor of about 1 - but for the BCC preprocessor, you will need to manually edit the timestep in <code>DDinput</code> file. Modify the fourth value in the second section:<br />
<pre><br />
2: timenow totalstrn stress deltt dbt load_type<br />
0.00000000 0.00000000 0.00000000 1.0 1.00000001E-07 0<br />
</pre><br />
<br />
You will need to make one additional change to your <code>data</code> file, to change the kind of boundaries in the simulations cell. Change the relevant line to:<br />
<pre><br />
4: npolorder, ncell, ifree (0,1 or 3), nsface1(3), nsface2(3)<br />
1 0 1 1 1 1 1 1 1<br />
</pre><br />
<br />
<br />
===Homework Assignment===<br />
:1. Using the three stress-strain curves from dislocation dynamics and by assuming a linear fit to the work hardening (post-yield portion of stress-strain curve), estimate the slope of the linear hardening regime. How does uncertainty affect the linear assumption? Is there a better assumption than linearity?<br />
:2. Fit dislocation density results to the Voce Hardening Law (Equation 9.9 in ICME textbook).<br />
:3. Report on your results<br />
<br />
=Part 2 - Upscale Dislocation Forest Hardening to Crystal Plasticity=<br />
<br />
==Objectives==<br />
* Run a one-element finite element simulation using the Voce hardening law with one crystal orientation.<br />
* Plot a stress strain curve for each set of hardening constants. <br />
* Report on your results.<br />
<br />
==Environment Setup==<br />
This part of the assignment can be completed in either <u>[[Code: ABAQUS FEM | ABAQUS]]</u> on a Mississippi State computer, or any other fully licensed Abaqus, or on <u>[[Code: CALCULIX | Calculix]]</u>, a free, open-source FEA solver. You can find a tutorial for the ABAQUS CPFEM setup and use [https://www.youtube.com/watch?v=_0uk_mdyMZY&t=1s here].<br />
<br />
For either software, you will need all of the input files for CPFEM in an aluminum material found[[Code: ABAQUS CPFEM | here]]. If you are using a bcc material, save <u>[[Media:Bcc.txt|this]]</u> file as <code>bcc.sx</code> and use it instead of <code>fcc.sx</code>. <br />
<br />
For Calculix, also download the additional umat files and compile as described [[CPFEM for Calculix|here]].<br />
<br />
==Single Crystal CPFEM Simulation==<br />
===Step 1===<br />
<br />
Create the input file.<br />
<br />
''(Hint: Calculix and Abaqus can take the same input files.)''<br />
<br />
# Create a cube<br />
# Constrain the cube so that all rigid body displacements and rotations are constrained. <br />
## Constrain one corner of the cube to be fixed in all directions<br />
## Constrain two adjacent nodes to be fixed in the direction of loading. Make sure that these 3 nodes are all in a plane which is perpendicular to the direction of loading.<br />
## Constrain one of these two adjacent nodes to be fixed in a second direction, such that this node cannot rotate about the fixed corner of the cube.<br />
# Mesh the cube such that only a single element is created.<br />
# Add a displacement to the face opposite of the constrained face, such that a large strain is applied to the cube.<br />
# Create a material section and apply it to the cube.<br />
# Add a material to the cube (in Calculix, name it XTAL)<br />
## Set the number of dependent variables (<code>*DEPVAR</code>) equal to the number of grains times 70. <br />
## Set the material to be a user material with two mechanical constants: #1 = 1; #2 = 1.<br />
## Do not forget to apply this material to the Section<br />
<br />
An example Calculix input file can be found [[Media:Single-element.inp.txt|here]]. Make sure you save the file with a *.inp extension NOT a *.txt extension.<br />
<br />
In this file, the displacement can be controlled from the following lines:<br />
<pre><br />
*Boundary, Amplitude=Stretch<br />
Ndisp, 3,3, 0.75<br />
</pre><br />
<br />
Change <code>3,3</code> to control the direction of displacement, where <code>1 = x, 2 = y, 3 = z</code>. Change <code>0.75</code> to control the magnitude and direction (+/-) of the displacement.<br />
<br />
===Step 2===<br />
Set up the CPFEM input files.<br />
<br />
*In the umat_xtal.f file, edit the line <pre>data filePath&#10;& /'/cavs/cmd/data1/users/qma/abaqus_xtalplas/oneelement/'/</pre> to be the directory where your crystal plasticity inputs are stored.<br />
**(FOR CALCULIX) Comment out the line <pre>include 'ABA_PARAM.INC'</pre> by adding a "c" to the beginning of the line.<br />
*Edit the texture.txti file to include only a single crystal.<br />
**Change the first line to 1<br />
**Leave the second line!<br />
**Leave only one of the lines containing the Euler angles for the crystal orientations.<br />
*In the test.xtali input file, change the second number on the first line to 1, for the number of grains.<br />
**Make sure the line with <pre>fcc.sx / single crystal input file</pre> is updated to reflect the crystal structure of your material.<br />
<br />
===Step 4===<br />
Change the single crystal input file (fcc.sx or bcc.sx) to match that of your material<br />
The following lines need to be edited with the single crystal elastic constants of your material:<br />
<pre><br />
108.2e3 61.3e3 28.5e3 / c11(c1), c12(c2), c44(c3) / # These numbers should match c11, c12, and c44 for your material<br />
</pre><br />
<br />
Then, for each slip system in use, edit these lines with the values calculated from [[ICME 2017 HW2|Homework 2]], or Part 1 of this homework.<br />
<pre><br />
2.e-5 / bdrag / # This should match the drag coefficient obtained in Homework 2<br />
35.5 39.5 1.85 0.0-4 5.0e10 / h0, tausi, taus0, xms, gamss0 / # The first three should match the values obtained in Part 1<br />
</pre><br />
<br />
===Step 5===<br />
Run the simulation<br />
<br />
The finite element simulation can be run locally, as it is a very small simulation.<br />
<br />
For Abaqus, run the job with <pre>abaqus job=<YOUR_INPUTFILE_NAME> user=umat_xtal.f</pre><br />
<br />
If you wish to increase the number of CPUs to process the job faster, insert "cpus=12" where 12 is the max number of cpus raptor allows a single user. <br />
<br />
Similarly, for Calculix, run the job with <pre>ccx <YOUR_INPUTFILE_NAME></pre><br />
<br />
For both, make sure to enter the job name without the ".inp" extension.<br />
<br />
===Step 6===<br />
Access the results<br />
<br />
* ABAQUS simulation output is stored in an output database file with extension ".odb". ODB files can be visualized and post processed in ABAQUS CAE or ABAQUS VIEWER.<br />
* Calculix output can be found in the ".dat" files. You can use [[Media:Ccx reader.txt|this]] script to convert it to an element averaged stress-strain.<br />
<br />
===Homework Assignment===<br />
:1. Plot the single crystal stress-strain curves from the single element simulation for tension, compression, and torsion (simple shear).<br />
<br />
<br />
=Room for Improvement=<br />
As with the previous homeworks, improve the tutorial(s) by adding/modifying the ICME website for:<br />
:1. Dislocation dynamics (MDDP)<br />
:2. Crystal Plasticity</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/ICME_Student_Contributions_2017_-_MsStateICME Student Contributions 2017 - MsState2017-04-02T14:14:21Z<p>Ddrake: /* Student 1 */</p>
<hr />
<div>[[CME 8373 Student Contributions (Spring 2017)|< ICME 2017 Student Contributions]]<br />
<br />
=Student Contributions=<br />
<br />
===Student 1===<br />
Student Contribution 1<br />
<br />
* Added the following paper to the ICME website [[Creep characterization of vapor-grown carbon nanofiber/vinyl ester nanocomposites using a response surface methodology]]<br />
<br />
Student Contribution 2<br />
<br />
* Added “Modeling Uncertainty” page ([[Modeling Uncertainty]])<br />
<br />
Student Contribution 3<br />
<br />
* Added the following categories to [[Composite Overview]]: "[[Polymers]]".<br />
* Added the following categories to [[Animation]]: "[[Dislocation Dynamics]]".<br />
* Added the following categories to [[Cast Iron: Compacted Graphite Iron]]: "[[Crystal Plasticity]]" & [[Metals]].<br />
* Added the following categories to [[Ca.library.meam]]: "[[Electronic Scale]],", [[MPC]], [[MPCv2]], [[MPCv3]].<br />
<br />
Student Contribution 4<br />
<br />
Added Installation Video to [[LAMMPS tutorials]] and [[Nanoscale]]<br />
* [[https://www.youtube.com/watch?v=UgmABjwrra0 Installation]]<br />
<br />
Student Contribution 5<br />
<br />
Added the following page to the ICME website: "[[A proposal to Investigate Stitched Composites Undergoing Delamination Using Multiscale Modeling Approach]]"<br />
<br />
===Student 2===<br />
===Student 3===<br />
===Student 4===<br />
===Student 5===<br />
===Student 6===<br />
===Student 7===<br />
<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br><br />
Added the following journal articles:<br />
* [[Structure–property quantification of corrosion pitting under immersion and salt-spray environments on an extruded AZ61 magnesium alloy]]<br />
* [[Comparison of corrosion pitting under immersion and salt-spray environments on an as-cast AE44 magnesium alloy]]<br />
<br />
Contribution 2<br />
<br><br />
Created the following page:<br />
* [[Corrosion]]<br />
<br />
Contribution 3<br />
<br><br />
1. Added the following categories to * [[Quantification of corrosion mechanisms on an extruded AZ31 magnesium alloy]]: "Metals", "Macroscale", and "Microscale".<br />
<br><br />
2. Added the following categories to * [[Corrosion Behaviour of Extruded AM30 Magnesium Alloy]]: "Metals", "Macroscale", and "Microscale".<br />
<br><br />
3. Added the following categories to * [[Corrosion Fatigue Behavior of Extruded AM30 Magnesium Alloy]]: "Metals", "Macroscale", "Microscale", and "Research Paper".<br />
<br />
<br />
Contribution 4<br />
<br><br />
Added Corrosion Video to [[Corrosion]] and [[Microscale]]<br />
* [[https://www.youtube.com/watch?v=meBLy8hF1JU]]<br />
Added Q Fog Tutorial<br />
* [[https://icme.hpc.msstate.edu/mediawiki/images/c/ca/Q_Fog_Tutorial.pdf]]<br />
<br />
Contribution 5<br />
<br><br />
* [[ICME Multiscale Modeling of Corrosion Damage]]<br />
<br />
===Student 8===<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br />
Added the following journal articles:<br />
* [[Fatigue crack growth in magnesium single crystals under cyclic loading: Molecular dynamics simulation]]<br />
Contribution 2 <br />
* Filled in [[Scanning Electron Microscopes]] page<br />
Contribution 3<br />
<br> <br />
* Added the following categories to * [[ICME Overview for Alligator Gar Fish Scale]]: "Biomaterials", "Microscale", and "Nanoscale".<br />
* Added the following categories to * [[ICME Overview of Polymer Solar Cell Active Layer]]: "Polymers" ,Macroscale", "Microscale", and "Nanoscale".<br />
<br />
Contribution 4<br />
* Added a tutorial video about SEM Sample Preparation to the [[Scanning Electron Microscopes]] page<br />
<br />
Contribution 5<br />
* [[ICME Multiscale Modeling of MEMs Pressure Sensors Operating at High Temperature]]<br />
<br />
===Student 9===<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br><br />
Added the following journal articles:<br />
<br />
Contribution 2<br />
<br><br />
* Added Overview, Specimen Preparation, and EDS sections to the [[Transmission Electron Microscopy]] page. Added Biomaterials, Metal, and Microscale categorization. Added "similar to [[Scanning Electron Microscopes|SEM]]" crosslink.<br />
<br />
Contribution 3<br />
<br><br />
* Added Nanoscale and VASP categorization to [[Code: VASP compilation]] page.<br />
* Added VASP categorization to [[Cleanvaspfiles]] page.<br />
<br />
Contribution 4<br />
<br><br />
* Added a tutorial video for ABAQUS about a technique for adding a uniform mesh to a cylinder and performing a mesh convergence study to the [[Structural Scale]] and [[code: ABAQUS FEM]] pages. <br />
<br />
Contribution 5<br />
<br><br />
* [[ICME Overview of predicting the Specific Strength of Aluminum-Lithium Alloys]]<br />
<br />
===Student 10===<br />
CLAIMED <br><br />
Contribution 1<br><br />
Contribution 2<br><br />
Contribution 3<br><br />
Contribution 4<br><br />
Contribution 5<br><br />
<br />
===Student 11===<br />
CLAIMED<br />
<br />
Contribution 1<br />
<br />
Contribution 2<br />
<br />
Contribution 3<br />
<br><br />
*Created Category: VCSG<br />
*Added VCSG categorization to [[Code: VCSG]]<br />
<br />
Contribution 4<br />
<br><br />
*Added a tutorial for CalculiX about Thermal Conductance through a Flat Plate to the [[Structural Scale]].<br />
<br />
Contribution 5<br />
<br />
===Student 12===<br />
===Student 13===<br />
===Student 14===<br />
===Student 15===<br />
===Student 16===<br />
===Student 17===<br />
===Student 18===<br />
===Student 19===<br />
===Student 20===<br />
===Student 21===<br />
===Student 22===<br />
===Student 23===<br />
===Student 24===<br />
===Student 25===<br />
===Student 26===<br />
===Student 27===<br />
===Student 28===<br />
===Student 29===<br />
===Student 30===<br />
===Student 31===<br />
===Student 32===<br />
===Student 33===<br />
claim<br />
Contribution 3<br />
<br><br />
1. Added the following categories to * [[Raptor PBS]]: "VASP", "LAMMPS", and "Electronic scale".<br />
<br />
===Student 34===<br />
===Student 35===</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/LAMMPS_tutorialsLAMMPS tutorials2017-04-02T14:13:38Z<p>Ddrake: /* Video tutorials */</p>
<hr />
<div>Contact: [http://www.hpc.msstate.edu/directory/information.php?eid=1967 Mark A. Tschopp], [mailto:mark.tschopp@gatech.edu Email me]<br />
<br />
Please contact me if you have any questions or comments about the tutorials.<br />
<br />
Here are a few tutorials to get started using LAMMPS.<br />
<br />
=== Internal LAMMPS tutorials ===<br />
<br />
* [[LAMMPS_Help | LAMMPS Beginner Help]]<br />
** This tutorial calculates the cohesive energy and lattice parameter for aluminum (downloaded from the [http://www.ctcms.nist.gov/potentials/ NIST Interatomic Potential Repository]).<br />
* [[LAMMPS_Help2 | LAMMPS Beginner Help 2]]<br />
** This tutorial shows how to calculate the cohesive energy as a function of lattice parameter for aluminum.<br />
* [[Uniaxial_Tension | LAMMPS Beginner Help 3]]<br />
** This tutorial shows how to deform a three-dimensional periodic simulation cell in uniaxial tension for aluminum.<br />
* [[Uniaxial_Compression | LAMMPS Beginner Help 4]]<br />
** This tutorial shows how to deform a three-dimensional periodic simulation cell in uniaxial compression for aluminum.<br />
* [[LAMMPS_Help3 | LAMMPS Beginner Help 5]]<br />
** This tutorial shows how to generate a Sigma5(310) symmetric tilt grain boundary in aluminum.<br />
* [[LAMMPS_Fracture | LAMMPS Beginner Help 6]]<br />
** This tutorial calculates stresses for the fracture of an iron symmetric tilt grain boundary.<br />
* [[LAMMPS_H_Dimer_Energy_dontlinkyet | LAMMPS Beginner Help 7]]<br />
** This tutorial refines the hydrogen MEAM potential and is an introduction to MEAM in LAMMPS.<br />
* [[LAMMPS_Stacking_Fault_Energy | LAMMPS Beginner Help 8]]<br />
** This tutorial calculates the stacking fault energy curve for FCC in LAMMPS.<br />
* [[LAMMPS_Nanowire_Deformation | LAMMPS Beginner Help 9]]<br />
** This tutorial shows how to deform a nanowire in LAMMPS.<br />
* [[LAMMPS_GB_Point_Defect | LAMMPS Beginner Help 10]]<br />
** This tutorial shows how to insert a point defect at the grain boundary and calculate the formation energy.<br />
* [[LAMMPS_GB_Metrics | LAMMPS Beginner Help 11]]<br />
** This tutorial shows how to calculate a number of properties for each atom (e.g., centrosymmetry, cna, pe, stress, etc.).<br />
* [[LAMMPS_Polymer | LAMMPS Beginner Help 12]]<br />
** This tutorial shows how to simulate the polymer chain behavior in LAMMPS.<br />
* [[LAMMPS_EOS | LAMMPS Beginner Help 13]]<br />
** This tutorial shows how to calculate the equations of state for different lattice structures.<br />
* [[LAMMPS_Relaxed_Bi-layer | LAMMPS Beginner Help 14]]<br />
** This tutorial shows how to construct a relaxed bi-layer for the fcc elements nickel and aluminum.<br />
* [[LAMMPS_Vacancy_Formation_Energy | LAMMPS Beginner Help 15]]<br />
** This tutorial calculates the vacancy formation energy for FCC metals in LAMMPS.<br />
* [[LAMMPS_Interstitial_Formation_Energy | LAMMPS Beginner Help 16]]<br />
** This tutorial calculates the interstitial formation energy for FCC metals in LAMMPS.<br />
* [[LAMMPS_Intrinsic_Stacking-Fault_Energy | LAMMPS Beginner Help 17]]<br />
** This tutorial shows how to calculate the intrinsic stacking-fault energy for FCC metals in LAMMPS.<br />
* [[LAMMPS_Extrinsic_Stacking-Fault_Energy | LAMMPS Beginner Help 18]]<br />
** This tutorial shows how to calculate the extrinsic stacking-fault energy for FCC metals in LAMMPS.<br />
The input decks and the tutorial for beginners to LAMMPS can also be downloaded ('Download GNU tarball') [https://icme.hpc.msstate.edu/viewvc/CMD%20Codes%20Repository/inputDecks/lammps_decks here], or can be viewed online in the [[LAMMPS_Help | LAMMPS Beginner Help]].<br />
<br />
* [[LAMMPS Dislocation Mobility | Calculating Dislocation Mobility in LAMMPS]]<br />
** This tutorial shows how to calculate the dislocation mobility in metals in LAMMPS.<br />
<br />
=== Video tutorials ===<br />
A video tutorial and demonstartion for running LAMMPS can be found [https://www.youtube.com/watch?v=TTDXJXJJi18/ here].<br />
<br />
A short introduction and tutorial for LAMMPS can be found in these videos:<br />
<br />
* [https://www.youtube.com/watch?v=UgmABjwrra0 Installation]<br />
* [https://youtu.be/GXA2PyqKYdY Introduction]<br />
* [https://www.youtube.com/watch?v=7Ila18g8zSY The Input File - Part 1]<br />
* [https://www.youtube.com/watch?v=BOJPl9A7-K8 The Input file - Part 2]<br />
<br />
=== Submitting tutorials on website ===<br />
<br />
* [[LAMMPS_Tutorial_Addition | Do you want to write a tutorial to include on this website? ]]<br />
* [[LAMMPS_Tutorial_Questions | Why aren't some links working on this site? ]]<br />
<br />
=== External LAMMPS tutorials ===<br />
<br />
* The [http://lammps.sandia.gov/ LAMMPS] website also has a page for [http://lammps.sandia.gov/tutorials.html tutorials] and [http://lammps.sandia.gov/scripts.html user-contributed input scripts].<br />
<br />
=== Go Back ===<br />
* [[MaterialModels: Nanoscale]]<br />
<br />
[[Category: Tutorial]]<br />
[[Category: LAMMPS]]</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/ICME_Student_Contributions_2017_-_MsStateICME Student Contributions 2017 - MsState2017-04-02T14:11:42Z<p>Ddrake: /* Student 1 */</p>
<hr />
<div>[[CME 8373 Student Contributions (Spring 2017)|< ICME 2017 Student Contributions]]<br />
<br />
=Student Contributions=<br />
<br />
===Student 1===<br />
Student Contribution 1<br />
<br />
* Added the following paper to the ICME website [[Creep characterization of vapor-grown carbon nanofiber/vinyl ester nanocomposites using a response surface methodology]]<br />
<br />
Student Contribution 2<br />
<br />
* Added “Modeling Uncertainty” page ([[Modeling Uncertainty]])<br />
<br />
Student Contribution 3<br />
<br />
* Added the following categories to [[Composite Overview]]: "[[Polymers]]".<br />
* Added the following categories to [[Animation]]: "[[Dislocation Dynamics]]".<br />
* Added the following categories to [[Cast Iron: Compacted Graphite Iron]]: "[[Crystal Plasticity]]" & [[Metals]].<br />
* Added the following categories to [[Ca.library.meam]]: "[[Electronic Scale]],", [[MPC]], [[MPCv2]], [[MPCv3]].<br />
<br />
Student Contribution 4<br />
<br />
Added Installation Video to [[LAMMPS]] and [[Nanoscale]]<br />
* [[https://www.youtube.com/watch?v=UgmABjwrra0 Installation]]<br />
<br />
Student Contribution 5<br />
<br />
Added the following page to the ICME website: "[[A proposal to Investigate Stitched Composites Undergoing Delamination Using Multiscale Modeling Approach]]"<br />
<br />
===Student 2===<br />
===Student 3===<br />
===Student 4===<br />
===Student 5===<br />
===Student 6===<br />
===Student 7===<br />
<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br><br />
Added the following journal articles:<br />
* [[Structure–property quantification of corrosion pitting under immersion and salt-spray environments on an extruded AZ61 magnesium alloy]]<br />
* [[Comparison of corrosion pitting under immersion and salt-spray environments on an as-cast AE44 magnesium alloy]]<br />
<br />
Contribution 2<br />
<br><br />
Created the following page:<br />
* [[Corrosion]]<br />
<br />
Contribution 3<br />
<br><br />
1. Added the following categories to * [[Quantification of corrosion mechanisms on an extruded AZ31 magnesium alloy]]: "Metals", "Macroscale", and "Microscale".<br />
<br><br />
2. Added the following categories to * [[Corrosion Behaviour of Extruded AM30 Magnesium Alloy]]: "Metals", "Macroscale", and "Microscale".<br />
<br><br />
3. Added the following categories to * [[Corrosion Fatigue Behavior of Extruded AM30 Magnesium Alloy]]: "Metals", "Macroscale", "Microscale", and "Research Paper".<br />
<br />
<br />
Contribution 4<br />
<br><br />
Added Corrosion Video to [[Corrosion]] and [[Microscale]]<br />
* [[https://www.youtube.com/watch?v=meBLy8hF1JU]]<br />
Added Q Fog Tutorial<br />
* [[https://icme.hpc.msstate.edu/mediawiki/images/c/ca/Q_Fog_Tutorial.pdf]]<br />
<br />
Contribution 5<br />
<br><br />
* [[ICME Multiscale Modeling of Corrosion Damage]]<br />
<br />
===Student 8===<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br />
Added the following journal articles:<br />
* [[Fatigue crack growth in magnesium single crystals under cyclic loading: Molecular dynamics simulation]]<br />
Contribution 2 <br />
* Filled in [[Scanning Electron Microscopes]] page<br />
Contribution 3<br />
<br> <br />
* Added the following categories to * [[ICME Overview for Alligator Gar Fish Scale]]: "Biomaterials", "Microscale", and "Nanoscale".<br />
* Added the following categories to * [[ICME Overview of Polymer Solar Cell Active Layer]]: "Polymers" ,Macroscale", "Microscale", and "Nanoscale".<br />
<br />
Contribution 4<br />
* Added a tutorial video about SEM Sample Preparation to the [[Scanning Electron Microscopes]] page<br />
<br />
Contribution 5<br />
* [[ICME Multiscale Modeling of MEMs Pressure Sensors Operating at High Temperature]]<br />
<br />
===Student 9===<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br><br />
Added the following journal articles:<br />
<br />
Contribution 2<br />
<br><br />
* Added Overview, Specimen Preparation, and EDS sections to the [[Transmission Electron Microscopy]] page. Added Biomaterials, Metal, and Microscale categorization. Added "similar to [[Scanning Electron Microscopes|SEM]]" crosslink.<br />
<br />
Contribution 3<br />
<br><br />
* Added Nanoscale and VASP categorization to [[Code: VASP compilation]] page.<br />
* Added VASP categorization to [[Cleanvaspfiles]] page.<br />
<br />
Contribution 4<br />
<br><br />
* Added a tutorial video for ABAQUS about a technique for adding a uniform mesh to a cylinder and performing a mesh convergence study to the [[Structural Scale]] and [[code: ABAQUS FEM]] pages. <br />
<br />
Contribution 5<br />
<br><br />
* [[ICME Overview of predicting the Specific Strength of Aluminum-Lithium Alloys]]<br />
<br />
===Student 10===<br />
CLAIMED <br><br />
Contribution 1<br><br />
Contribution 2<br><br />
Contribution 3<br><br />
Contribution 4<br><br />
Contribution 5<br><br />
<br />
===Student 11===<br />
CLAIMED<br />
<br />
Contribution 1<br />
<br />
Contribution 2<br />
<br />
Contribution 3<br />
<br><br />
*Created Category: VCSG<br />
*Added VCSG categorization to [[Code: VCSG]]<br />
<br />
Contribution 4<br />
<br><br />
*Added a tutorial for CalculiX about Thermal Conductance through a Flat Plate to the [[Structural Scale]].<br />
<br />
Contribution 5<br />
<br />
===Student 12===<br />
===Student 13===<br />
===Student 14===<br />
===Student 15===<br />
===Student 16===<br />
===Student 17===<br />
===Student 18===<br />
===Student 19===<br />
===Student 20===<br />
===Student 21===<br />
===Student 22===<br />
===Student 23===<br />
===Student 24===<br />
===Student 25===<br />
===Student 26===<br />
===Student 27===<br />
===Student 28===<br />
===Student 29===<br />
===Student 30===<br />
===Student 31===<br />
===Student 32===<br />
===Student 33===<br />
claim<br />
Contribution 3<br />
<br><br />
1. Added the following categories to * [[Raptor PBS]]: "VASP", "LAMMPS", and "Electronic scale".<br />
<br />
===Student 34===<br />
===Student 35===</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/ICME_Student_Contributions_2017_-_MsStateICME Student Contributions 2017 - MsState2017-04-02T14:11:20Z<p>Ddrake: /* Student 1 */</p>
<hr />
<div>[[CME 8373 Student Contributions (Spring 2017)|< ICME 2017 Student Contributions]]<br />
<br />
=Student Contributions=<br />
<br />
===Student 1===<br />
Student Contribution 1<br />
<br />
* Added the following paper to the ICME website [[Creep characterization of vapor-grown carbon nanofiber/vinyl ester nanocomposites using a response surface methodology]]<br />
<br />
Student Contribution 2<br />
<br />
* Added “Modeling Uncertainty” page ([[Modeling Uncertainty]])<br />
<br />
Student Contribution 3<br />
<br />
* Added the following categories to [[Composite Overview]]: "[[Polymers]]".<br />
* Added the following categories to [[Animation]]: "[[Dislocation Dynamics]]".<br />
* Added the following categories to [[Cast Iron: Compacted Graphite Iron]]: "[[Crystal Plasticity]]" & [[Metals]].<br />
* Added the following categories to [[Ca.library.meam]]: "[[Electronic Scale]],", [[MPC]], [[MPCv2]], [[MPCv3]].<br />
<br />
Student Contribution 4<br />
<br />
Added Installation Video to [[LAMMPS]] and [[Category:Nanoscale]]<br />
* [[https://www.youtube.com/watch?v=UgmABjwrra0 Installation]]<br />
<br />
Student Contribution 5<br />
<br />
Added the following page to the ICME website: "[[A proposal to Investigate Stitched Composites Undergoing Delamination Using Multiscale Modeling Approach]]"<br />
<br />
===Student 2===<br />
===Student 3===<br />
===Student 4===<br />
===Student 5===<br />
===Student 6===<br />
===Student 7===<br />
<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br><br />
Added the following journal articles:<br />
* [[Structure–property quantification of corrosion pitting under immersion and salt-spray environments on an extruded AZ61 magnesium alloy]]<br />
* [[Comparison of corrosion pitting under immersion and salt-spray environments on an as-cast AE44 magnesium alloy]]<br />
<br />
Contribution 2<br />
<br><br />
Created the following page:<br />
* [[Corrosion]]<br />
<br />
Contribution 3<br />
<br><br />
1. Added the following categories to * [[Quantification of corrosion mechanisms on an extruded AZ31 magnesium alloy]]: "Metals", "Macroscale", and "Microscale".<br />
<br><br />
2. Added the following categories to * [[Corrosion Behaviour of Extruded AM30 Magnesium Alloy]]: "Metals", "Macroscale", and "Microscale".<br />
<br><br />
3. Added the following categories to * [[Corrosion Fatigue Behavior of Extruded AM30 Magnesium Alloy]]: "Metals", "Macroscale", "Microscale", and "Research Paper".<br />
<br />
<br />
Contribution 4<br />
<br><br />
Added Corrosion Video to [[Corrosion]] and [[Microscale]]<br />
* [[https://www.youtube.com/watch?v=meBLy8hF1JU]]<br />
Added Q Fog Tutorial<br />
* [[https://icme.hpc.msstate.edu/mediawiki/images/c/ca/Q_Fog_Tutorial.pdf]]<br />
<br />
Contribution 5<br />
<br><br />
* [[ICME Multiscale Modeling of Corrosion Damage]]<br />
<br />
===Student 8===<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br />
Added the following journal articles:<br />
* [[Fatigue crack growth in magnesium single crystals under cyclic loading: Molecular dynamics simulation]]<br />
Contribution 2 <br />
* Filled in [[Scanning Electron Microscopes]] page<br />
Contribution 3<br />
<br> <br />
* Added the following categories to * [[ICME Overview for Alligator Gar Fish Scale]]: "Biomaterials", "Microscale", and "Nanoscale".<br />
* Added the following categories to * [[ICME Overview of Polymer Solar Cell Active Layer]]: "Polymers" ,Macroscale", "Microscale", and "Nanoscale".<br />
<br />
Contribution 4<br />
* Added a tutorial video about SEM Sample Preparation to the [[Scanning Electron Microscopes]] page<br />
<br />
Contribution 5<br />
* [[ICME Multiscale Modeling of MEMs Pressure Sensors Operating at High Temperature]]<br />
<br />
===Student 9===<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br><br />
Added the following journal articles:<br />
<br />
Contribution 2<br />
<br><br />
* Added Overview, Specimen Preparation, and EDS sections to the [[Transmission Electron Microscopy]] page. Added Biomaterials, Metal, and Microscale categorization. Added "similar to [[Scanning Electron Microscopes|SEM]]" crosslink.<br />
<br />
Contribution 3<br />
<br><br />
* Added Nanoscale and VASP categorization to [[Code: VASP compilation]] page.<br />
* Added VASP categorization to [[Cleanvaspfiles]] page.<br />
<br />
Contribution 4<br />
<br><br />
* Added a tutorial video for ABAQUS about a technique for adding a uniform mesh to a cylinder and performing a mesh convergence study to the [[Structural Scale]] and [[code: ABAQUS FEM]] pages. <br />
<br />
Contribution 5<br />
<br><br />
* [[ICME Overview of predicting the Specific Strength of Aluminum-Lithium Alloys]]<br />
<br />
===Student 10===<br />
CLAIMED <br><br />
Contribution 1<br><br />
Contribution 2<br><br />
Contribution 3<br><br />
Contribution 4<br><br />
Contribution 5<br><br />
<br />
===Student 11===<br />
CLAIMED<br />
<br />
Contribution 1<br />
<br />
Contribution 2<br />
<br />
Contribution 3<br />
<br><br />
*Created Category: VCSG<br />
*Added VCSG categorization to [[Code: VCSG]]<br />
<br />
Contribution 4<br />
<br><br />
*Added a tutorial for CalculiX about Thermal Conductance through a Flat Plate to the [[Structural Scale]].<br />
<br />
Contribution 5<br />
<br />
===Student 12===<br />
===Student 13===<br />
===Student 14===<br />
===Student 15===<br />
===Student 16===<br />
===Student 17===<br />
===Student 18===<br />
===Student 19===<br />
===Student 20===<br />
===Student 21===<br />
===Student 22===<br />
===Student 23===<br />
===Student 24===<br />
===Student 25===<br />
===Student 26===<br />
===Student 27===<br />
===Student 28===<br />
===Student 29===<br />
===Student 30===<br />
===Student 31===<br />
===Student 32===<br />
===Student 33===<br />
claim<br />
Contribution 3<br />
<br><br />
1. Added the following categories to * [[Raptor PBS]]: "VASP", "LAMMPS", and "Electronic scale".<br />
<br />
===Student 34===<br />
===Student 35===</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/Modeling_UncertaintyModeling Uncertainty2017-04-01T21:12:33Z<p>Ddrake: /* References */</p>
<hr />
<div>=Uncertainty=<br />
==Objective==<br />
This page will provide information on how to model uncertainty using the MEAM parameter calibration (MPC) tool and Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS). On this page, the central finite difference approximation is used as an example to help users to understand how to model the uncertainty of the response of your system with respect to certain variables. <br />
<br />
In this example, the "response" of our system will be the dislocation velocity determined from LAMMPS. Additionally, "variables" can be inputs that contribute to the response of your system. In this example, these variables will be will be the MEAM parameters that are used to input into LAMMPS.<br />
<br />
==Theory==<br />
The uncertainty of the response of your system can be approximated using a one-factor-at-atime perturbation methodology. This method uses the central difference approximation to estimate the sensitivity of your response with respect to input variables. This sensitivity can be expressed as:<br />
<br />
[[File:SensitivityEqn.jpg]]<br />
<br />
where f() is the model function, Xi is the model input parameter, X0,i is the base value of a parameter, +/-i is the perturbation size around the base parameter, and DeltaXi is the difference between the perturbed input parameters. The perturbation size typically assumes a +/-1% perturbed factor. The uncertainty based on the sensitivity of an input can be determined from the following equation:<br />
<br />
[[File:UncertaintyEqn.jpg]]<br />
<br />
where Uf is the total uncertainity propagated through the model, df/dx is the model sensitivity in the equation prescribed above, N is the total number of parameters, and Uxi is the input parameter uncertainty. This parameter uncertainty term will have to depend on previous studies with respect to it's variance on the response your system. Conservatively, it can be assumed that a 5% parameter uncertainty can be used. <br />
<br />
==Example==<br />
In this example, we will vary a single MEAM parameter and look at the influence with respect to the dislocation velocity of a single material, called "Material 1". In this study, we will vary the parameter b2 by approximately +/-1% and assume a parameter uncertainty of approximately 5%. In Figure 1, the final result to calculate the uncertainty is shown. <br />
<br />
<br />
[[image:Uncertaintyplot.jpg|thumb|center|300px| Figure 1: Dislocation velocity as a function of applied shear stress.]]<br />
<br />
===Step 1===<br />
Calibrate your MEAM potential with respect to Density Functional Theory. This requires the use of elastic constants from experiments or literature to calibrate your material to DFT. The MEAM parameters we will be using is shown below for our "Material". <br />
<br />
[[image:MEAMParameters.jpg|thumb|center|300px| Table 1: MEAM Parameters]]<br />
<br />
===Step 2===<br />
We will need to run LAMMPS to determine the dislocation velocity for an edge dislocation. This was done at several applied shear stress levels (10 to 1200 MPa) for the following test cases:<br />
<br />
<br />
* a nominal MEAM parameter test case<br />
* a 1% increase in b2 test case<br />
* a 1% decrease b2 test case<br />
<br />
<br />
In Figure 2, a flow chart to run LAMMPS is shown. First, the volume of atoms needs to be generated for an edge dislocation. Secondly, the dislocation velocity specifying the applied stress and temperature needs to be written. Lastly, the MEAM input parameters needs to be written with respect to the test cases prescribed above. Please refer to the LAMMPS page on how this is performed. Once LAMMPS is used to calculate the displacement of the atoms, a dislocation velocity can be calculated using a single defect velocity script.<br />
<br />
<br />
[[image:b2response.jpg|thumb|center|300px| Table 2: Sensitivity of b2 with respect to the dislocation velocity.]]<br />
<br />
===Step 3===<br />
<br />
In table 2, the uncertainty with respect to the MEAM parameters is determined. Note here that since we are only evaluating the uncertainty with respect to one variable, there is no summation. Essentially, N=1. If we were varying more than one parameter, a summation would need to be performed to determine the total accumulated uncertainty. Lastly, the uncertainty is added or subtracted to determine the uncertainty bands with respect to the mean response. <br />
<br />
[[image:UncertaintyCalc.jpg|thumb|center|600px| Table 2: Calculation of uncertainty.]]<br />
<br />
==References==<br />
<references/><br />
<br />
J.M. Hughes, M.F. Horstemeyer, R. Carino, N. Sukhija, W.B. Lawrimore, S. Kim, and M.I. Baskes. "Hierarchical Bridging Between Ab Initio and Atomistic Level Computations: Sensitivity and Uncertainty Analysis for the Modified Embedded-Atom Method (MEAM) Potential (Part B)." JOM, Vol. 67, No. 1, 2015. DOI: 10.1007/s11837-014-1205-7<br />
<br />
[[Category:Uncertainty]]<br />
[[Category:MEAM]]<br />
[[Category:LAMMPS]]</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/A_proposal_to_Investigate_Stitched_Composites_Undergoing_Delamination_Using_Multiscale_Modeling_ApproachA proposal to Investigate Stitched Composites Undergoing Delamination Using Multiscale Modeling Approach2017-04-01T21:02:14Z<p>Ddrake: /* Experimental Research for Upscaling Length Scale Behaviorh */</p>
<hr />
<div>==Problem Description==<br />
Carbon fiber-reinforced composite (CFRC) materials are extensively used in the aerospace industry to enable significant weight savings due to their high in-plane specific strength and stiffness. However, this benefit is countered by their low out-of-plane properties, such as interlaminar strength, that make CFRC structures susceptible to delamination. To prevent delamination, through-the-thickness stitching has been shown experimentally alleviate the damage propagation due to impact in CFRCs. Material optimization of stitched composites is required to reduce delamination at a macroscale. Atomistic to macroscale structure-property relationships need to be established and quantified to reduce delamination behavior of stitched composites. This proposal presents a pathway to develop hierarchical multiscale modeling approach from all length scales to reduce delamination. <br />
[[Image:MS_Stitch_Slide.jpg|right|thumb|650px|Investigation of Stitched Composites Undergoing Delamination Using a Multiscale Modeling Approach.]]<br />
<br />
==Mutliscale Modeling Approach==<br />
The multiscale modeling approach will be performed at all individual length scales for both<br />
the epoxy and carbon fiber constituents. These length scales are the structural, macro, meso, micro,<br />
atomistic, and electronic length scales. At the atomistic level, atomistic potientals are required to<br />
study the molecular behavior of epoxy chains and carbon-fiber crystalline structure under<br />
deformation. These atomistic potentials can be calculated from Density Functional Theory and the<br />
Modified Embedded Atom Theory (MEAM). MEAM has been previously used to calculate<br />
the interatomic potential for saturated hydrocarbons. However, MEAM theory has not yet<br />
been extended for cross-linked epoxy polymers that are not hydrocarbons. Therefore, a part of this<br />
research will be used to develop interatomic potentials using MEAM for highly cross-linked<br />
epoxies.<br />
<br />
Using the interatomic potentials from MEAM, molecular dynamic (MD) simulations will<br />
be performed to understand polymer chain mobility and the crystalline structure of the carbon<br />
fiber. The strain rate mechanisms at the atomistic level will be evaluated and upscaled to a<br />
macroscale continuum model. Additionally, course-graining MD can be used to reach higher<br />
length scales to study the void nucleation behavior that results from cavitation, crazing, and chain<br />
scission at the atomistic level. Interaction studies of the carbon fiber will also need to be<br />
performed to evaluate the interfacial shear strength and interfacial stiffness between the carbon<br />
fiber and epoxy. Recent studies have shown that the interfacial stiffness can vary near the graphite<br />
atoms with different surface chemical groups to promote adhesion.<br />
<br />
Information regarding void nucleation can be incorporated into a micromechancs finite<br />
element model (FEM) to investigate void and crack interaction. Void and crack propagation can<br />
be studied due to their interaction in polymer stitched composites at a macroscale continuum level.<br />
Surrogate optimization techniques such as design of experiments and ensemble weighted method<br />
can be subsequently employed to minimize the delamination behavior at the structural scale.<br />
<br />
==Experimental Research for Upscaling Length Scale Behavior==<br />
Experimental research is needed to understand and statistically quantify significant length<br />
scale behavior in order to include their effects at higher length scales. Therefore, a design of<br />
experiments approach will be used to evaluate the effect of each length scale factors on the<br />
subsequently higher length scales. For instance, Changwoon et al. reported that cross-link density<br />
and chain mobility can affect macroscale properties of polymer thermosets. Different<br />
levels of cross-linking and chain mobility will be evaluated to understand their significance at<br />
higher a macrolength scale. This research will provide validation of the models being used are<br />
appropriate with respect to experimental data.<br />
<br />
==References==<br />
[1] Mouritz, A. P., et al. (1997). "A review of the effect of stitching on the in-plane mechanical<br />
properties of fibre-reinforced polymer composites." Composites Part A: Applied Science<br />
and Manufacturing 28(12): 979-991.<br />
<br />
[2] Nishimura, A., et al. (1986). “New fabric structures for composite.” Recent Adv. In Japan<br />
and the United States: 29-36<br />
<br />
[3] Tan, K. T., et al. (2010). "Effect of stitch density and stitch thread thickness on low-velocity<br />
impact damage of stitched composites." Composites Part A: Applied Science and<br />
Manufacturing 41(12): 1857-1868.<br />
<br />
[4] Aktaş, A., et al. (2014). "Impact and post impact (CAI) behavior of stitched woven–knit<br />
hybrid composites." Composite Structures 116: 243-253.<br />
<br />
[5] Tan, K. T., et al. (2013). "Effect of stitch density and stitch thread thickness on damage<br />
progression and failure characteristics of stitched composites under out-of-plane loading."<br />
Composites Science and Technology 74: 194-204.<br />
<br />
[6] Liotier, P.-J., et al. (2010). "Characterization of 3D morphology and microcracks in<br />
composites reinforced by multi-axial multi-ply stitched preforms." Composites Part A:<br />
Applied Science and Manufacturing 41(5): 653-662.<br />
<br />
[7] Carvelli, V. “Mutli-Scale Mechanical Numerical Analysis of Multi-Axial Composites.”<br />
16th International Conference on Composite Materials: 1-7.<br />
<br />
[8] Carvelli, V., et al. (2010). "Fatigue and post-fatigue tensile behaviour of non-crimp stitched<br />
and unstitched carbon/epoxy composites." Composites Science and Technology 70(15):<br />
2216-2224.<br />
<br />
[9] Bathgate, R. G., et al. (1997). "Effects of temperature on the creep behaviour of woven and<br />
stitched composites." Composite Structures 38(1–4): 435-445.<br />
<br />
[10] Pang, F., et al. (1997). "Creep response of woven-fibre composites and the effect of<br />
stitching." Composites Science and Technology 57(1): 91-98.<br />
<br />
[11] Tan, K. T., et al. (2010). "Experimental investigation of bridging law for single stitch fibre<br />
using Interlaminar tension test." Composite Structures 92(6): 1399-1409.<br />
<br />
[12] Horstemeyer, M. (2012). Integrated Computational Materials Engineering (ICME) For<br />
Metals. Chapter 5: 146-147.<br />
<br />
[13] Nouranian, S., et al. (2014). “An interatomic potential for saturated hydrocarbons based on<br />
the modified embedded-atom method.” Royal Society of Chemistry, 16: 6233.<br />
<br />
[14] Khalatur P.G. (2012). Molecular Dynamics Simulations in Polymer Science: Methods and<br />
Main Results. Polymer Science: A Comprehensive Review, 1: 417-460.<br />
<br />
[15] Changwoon, J. (2013). Interfacial shear strength of cured vinyl ester resin-graphite<br />
nanoplatelet from moleculr dynamic simulations.” Polymer 54: 3282-3289.<br />
<br />
[16] Changwoon, J. (2012). “Relative Reactivity Volume Criterian for Cross-Linking:<br />
Application to Vinyl Ester Resin Molecular Dynamic Simulations.” Macromolecules, 45:<br />
4876-4885.<br />
<br />
[17] Odegard, G. M., et al. “Prediction of Mechanical Properties of Polymers with Various<br />
Force Fields.” American Institute of Aeronautics and Astronautics: 1-12.<br />
<br />
<references/><br />
<br />
[[Category: Macroscale]]</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/A_proposal_to_Investigate_Stitched_Composites_Undergoing_Delamination_Using_Multiscale_Modeling_ApproachA proposal to Investigate Stitched Composites Undergoing Delamination Using Multiscale Modeling Approach2017-04-01T20:58:26Z<p>Ddrake: /* Experimental Research for Upscaling Length Scale Behaviorh */</p>
<hr />
<div>==Problem Description==<br />
Carbon fiber-reinforced composite (CFRC) materials are extensively used in the aerospace industry to enable significant weight savings due to their high in-plane specific strength and stiffness. However, this benefit is countered by their low out-of-plane properties, such as interlaminar strength, that make CFRC structures susceptible to delamination. To prevent delamination, through-the-thickness stitching has been shown experimentally alleviate the damage propagation due to impact in CFRCs. Material optimization of stitched composites is required to reduce delamination at a macroscale. Atomistic to macroscale structure-property relationships need to be established and quantified to reduce delamination behavior of stitched composites. This proposal presents a pathway to develop hierarchical multiscale modeling approach from all length scales to reduce delamination. <br />
[[Image:MS_Stitch_Slide.jpg|right|thumb|650px|Investigation of Stitched Composites Undergoing Delamination Using a Multiscale Modeling Approach.]]<br />
<br />
==Mutliscale Modeling Approach==<br />
The multiscale modeling approach will be performed at all individual length scales for both<br />
the epoxy and carbon fiber constituents. These length scales are the structural, macro, meso, micro,<br />
atomistic, and electronic length scales. At the atomistic level, atomistic potientals are required to<br />
study the molecular behavior of epoxy chains and carbon-fiber crystalline structure under<br />
deformation. These atomistic potentials can be calculated from Density Functional Theory and the<br />
Modified Embedded Atom Theory (MEAM). MEAM has been previously used to calculate<br />
the interatomic potential for saturated hydrocarbons. However, MEAM theory has not yet<br />
been extended for cross-linked epoxy polymers that are not hydrocarbons. Therefore, a part of this<br />
research will be used to develop interatomic potentials using MEAM for highly cross-linked<br />
epoxies.<br />
<br />
Using the interatomic potentials from MEAM, molecular dynamic (MD) simulations will<br />
be performed to understand polymer chain mobility and the crystalline structure of the carbon<br />
fiber. The strain rate mechanisms at the atomistic level will be evaluated and upscaled to a<br />
macroscale continuum model. Additionally, course-graining MD can be used to reach higher<br />
length scales to study the void nucleation behavior that results from cavitation, crazing, and chain<br />
scission at the atomistic level. Interaction studies of the carbon fiber will also need to be<br />
performed to evaluate the interfacial shear strength and interfacial stiffness between the carbon<br />
fiber and epoxy. Recent studies have shown that the interfacial stiffness can vary near the graphite<br />
atoms with different surface chemical groups to promote adhesion.<br />
<br />
Information regarding void nucleation can be incorporated into a micromechancs finite<br />
element model (FEM) to investigate void and crack interaction. Void and crack propagation can<br />
be studied due to their interaction in polymer stitched composites at a macroscale continuum level.<br />
Surrogate optimization techniques such as design of experiments and ensemble weighted method<br />
can be subsequently employed to minimize the delamination behavior at the structural scale.<br />
<br />
==Experimental Research for Upscaling Length Scale Behaviorh==<br />
Experimental research is needed to understand and statistically quantify significant length<br />
scale behavior in order to include their effects at higher length scales. Therefore, a design of<br />
experiments approach will be used to evaluate the effect of each length scale factors on the<br />
subsequently higher length scales. For instance, Changwoon et al. reported that cross-link density<br />
and chain mobility can affect macroscale properties of polymer thermosets. Different<br />
levels of cross-linking and chain mobility will be evaluated to understand their significance at<br />
higher a macrolength scale. This research will provide validation of the models being used are<br />
appropriate with respect to experimental data.<br />
<br />
==References==<br />
[1] Mouritz, A. P., et al. (1997). "A review of the effect of stitching on the in-plane mechanical<br />
properties of fibre-reinforced polymer composites." Composites Part A: Applied Science<br />
and Manufacturing 28(12): 979-991.<br />
<br />
[2] Nishimura, A., et al. (1986). “New fabric structures for composite.” Recent Adv. In Japan<br />
and the United States: 29-36<br />
<br />
[3] Tan, K. T., et al. (2010). "Effect of stitch density and stitch thread thickness on low-velocity<br />
impact damage of stitched composites." Composites Part A: Applied Science and<br />
Manufacturing 41(12): 1857-1868.<br />
<br />
[4] Aktaş, A., et al. (2014). "Impact and post impact (CAI) behavior of stitched woven–knit<br />
hybrid composites." Composite Structures 116: 243-253.<br />
<br />
[5] Tan, K. T., et al. (2013). "Effect of stitch density and stitch thread thickness on damage<br />
progression and failure characteristics of stitched composites under out-of-plane loading."<br />
Composites Science and Technology 74: 194-204.<br />
<br />
[6] Liotier, P.-J., et al. (2010). "Characterization of 3D morphology and microcracks in<br />
composites reinforced by multi-axial multi-ply stitched preforms." Composites Part A:<br />
Applied Science and Manufacturing 41(5): 653-662.<br />
<br />
[7] Carvelli, V. “Mutli-Scale Mechanical Numerical Analysis of Multi-Axial Composites.”<br />
16th International Conference on Composite Materials: 1-7.<br />
<br />
[8] Carvelli, V., et al. (2010). "Fatigue and post-fatigue tensile behaviour of non-crimp stitched<br />
and unstitched carbon/epoxy composites." Composites Science and Technology 70(15):<br />
2216-2224.<br />
<br />
[9] Bathgate, R. G., et al. (1997). "Effects of temperature on the creep behaviour of woven and<br />
stitched composites." Composite Structures 38(1–4): 435-445.<br />
<br />
[10] Pang, F., et al. (1997). "Creep response of woven-fibre composites and the effect of<br />
stitching." Composites Science and Technology 57(1): 91-98.<br />
<br />
[11] Tan, K. T., et al. (2010). "Experimental investigation of bridging law for single stitch fibre<br />
using Interlaminar tension test." Composite Structures 92(6): 1399-1409.<br />
<br />
[12] Horstemeyer, M. (2012). Integrated Computational Materials Engineering (ICME) For<br />
Metals. Chapter 5: 146-147.<br />
<br />
[13] Nouranian, S., et al. (2014). “An interatomic potential for saturated hydrocarbons based on<br />
the modified embedded-atom method.” Royal Society of Chemistry, 16: 6233.<br />
<br />
[14] Khalatur P.G. (2012). Molecular Dynamics Simulations in Polymer Science: Methods and<br />
Main Results. Polymer Science: A Comprehensive Review, 1: 417-460.<br />
<br />
[15] Changwoon, J. (2013). Interfacial shear strength of cured vinyl ester resin-graphite<br />
nanoplatelet from moleculr dynamic simulations.” Polymer 54: 3282-3289.<br />
<br />
[16] Changwoon, J. (2012). “Relative Reactivity Volume Criterian for Cross-Linking:<br />
Application to Vinyl Ester Resin Molecular Dynamic Simulations.” Macromolecules, 45:<br />
4876-4885.<br />
<br />
[17] Odegard, G. M., et al. “Prediction of Mechanical Properties of Polymers with Various<br />
Force Fields.” American Institute of Aeronautics and Astronautics: 1-12.<br />
<br />
<references/><br />
<br />
[[Category: Macroscale]]</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/A_proposal_to_Investigate_Stitched_Composites_Undergoing_Delamination_Using_Multiscale_Modeling_ApproachA proposal to Investigate Stitched Composites Undergoing Delamination Using Multiscale Modeling Approach2017-04-01T20:57:57Z<p>Ddrake: </p>
<hr />
<div>==Problem Description==<br />
Carbon fiber-reinforced composite (CFRC) materials are extensively used in the aerospace industry to enable significant weight savings due to their high in-plane specific strength and stiffness. However, this benefit is countered by their low out-of-plane properties, such as interlaminar strength, that make CFRC structures susceptible to delamination. To prevent delamination, through-the-thickness stitching has been shown experimentally alleviate the damage propagation due to impact in CFRCs. Material optimization of stitched composites is required to reduce delamination at a macroscale. Atomistic to macroscale structure-property relationships need to be established and quantified to reduce delamination behavior of stitched composites. This proposal presents a pathway to develop hierarchical multiscale modeling approach from all length scales to reduce delamination. <br />
[[Image:MS_Stitch_Slide.jpg|right|thumb|650px|Investigation of Stitched Composites Undergoing Delamination Using a Multiscale Modeling Approach.]]<br />
<br />
==Mutliscale Modeling Approach==<br />
The multiscale modeling approach will be performed at all individual length scales for both<br />
the epoxy and carbon fiber constituents. These length scales are the structural, macro, meso, micro,<br />
atomistic, and electronic length scales. At the atomistic level, atomistic potientals are required to<br />
study the molecular behavior of epoxy chains and carbon-fiber crystalline structure under<br />
deformation. These atomistic potentials can be calculated from Density Functional Theory and the<br />
Modified Embedded Atom Theory (MEAM). MEAM has been previously used to calculate<br />
the interatomic potential for saturated hydrocarbons. However, MEAM theory has not yet<br />
been extended for cross-linked epoxy polymers that are not hydrocarbons. Therefore, a part of this<br />
research will be used to develop interatomic potentials using MEAM for highly cross-linked<br />
epoxies.<br />
<br />
Using the interatomic potentials from MEAM, molecular dynamic (MD) simulations will<br />
be performed to understand polymer chain mobility and the crystalline structure of the carbon<br />
fiber. The strain rate mechanisms at the atomistic level will be evaluated and upscaled to a<br />
macroscale continuum model. Additionally, course-graining MD can be used to reach higher<br />
length scales to study the void nucleation behavior that results from cavitation, crazing, and chain<br />
scission at the atomistic level. Interaction studies of the carbon fiber will also need to be<br />
performed to evaluate the interfacial shear strength and interfacial stiffness between the carbon<br />
fiber and epoxy. Recent studies have shown that the interfacial stiffness can vary near the graphite<br />
atoms with different surface chemical groups to promote adhesion.<br />
<br />
Information regarding void nucleation can be incorporated into a micromechancs finite<br />
element model (FEM) to investigate void and crack interaction. Void and crack propagation can<br />
be studied due to their interaction in polymer stitched composites at a macroscale continuum level.<br />
Surrogate optimization techniques such as design of experiments and ensemble weighted method<br />
can be subsequently employed to minimize the delamination behavior at the structural scale.<br />
<br />
==Experimental Research for Upscaling Length Scale Behaviorh==<br />
Experimental research is needed to understand and statistically quantify significant length<br />
scale behavior in order to include their effects at higher length scales. Therefore, a design of<br />
experiments approach will be used to evaluate the effect of each length scale factors on the<br />
subsequently higher length scales. For instance, Changwoon et al. reported that cross-link density<br />
and chain mobility can affect macroscale properties of polymer thermosets [16-17]. Different<br />
levels of cross-linking and chain mobility will be evaluated to understand their significance at<br />
higher a macrolength scale. This research will provide validation of the models being used are<br />
appropriate with respect to experimental data.<br />
<br />
==References==<br />
[1] Mouritz, A. P., et al. (1997). "A review of the effect of stitching on the in-plane mechanical<br />
properties of fibre-reinforced polymer composites." Composites Part A: Applied Science<br />
and Manufacturing 28(12): 979-991.<br />
<br />
[2] Nishimura, A., et al. (1986). “New fabric structures for composite.” Recent Adv. In Japan<br />
and the United States: 29-36<br />
<br />
[3] Tan, K. T., et al. (2010). "Effect of stitch density and stitch thread thickness on low-velocity<br />
impact damage of stitched composites." Composites Part A: Applied Science and<br />
Manufacturing 41(12): 1857-1868.<br />
<br />
[4] Aktaş, A., et al. (2014). "Impact and post impact (CAI) behavior of stitched woven–knit<br />
hybrid composites." Composite Structures 116: 243-253.<br />
<br />
[5] Tan, K. T., et al. (2013). "Effect of stitch density and stitch thread thickness on damage<br />
progression and failure characteristics of stitched composites under out-of-plane loading."<br />
Composites Science and Technology 74: 194-204.<br />
<br />
[6] Liotier, P.-J., et al. (2010). "Characterization of 3D morphology and microcracks in<br />
composites reinforced by multi-axial multi-ply stitched preforms." Composites Part A:<br />
Applied Science and Manufacturing 41(5): 653-662.<br />
<br />
[7] Carvelli, V. “Mutli-Scale Mechanical Numerical Analysis of Multi-Axial Composites.”<br />
16th International Conference on Composite Materials: 1-7.<br />
<br />
[8] Carvelli, V., et al. (2010). "Fatigue and post-fatigue tensile behaviour of non-crimp stitched<br />
and unstitched carbon/epoxy composites." Composites Science and Technology 70(15):<br />
2216-2224.<br />
<br />
[9] Bathgate, R. G., et al. (1997). "Effects of temperature on the creep behaviour of woven and<br />
stitched composites." Composite Structures 38(1–4): 435-445.<br />
<br />
[10] Pang, F., et al. (1997). "Creep response of woven-fibre composites and the effect of<br />
stitching." Composites Science and Technology 57(1): 91-98.<br />
<br />
[11] Tan, K. T., et al. (2010). "Experimental investigation of bridging law for single stitch fibre<br />
using Interlaminar tension test." Composite Structures 92(6): 1399-1409.<br />
<br />
[12] Horstemeyer, M. (2012). Integrated Computational Materials Engineering (ICME) For<br />
Metals. Chapter 5: 146-147.<br />
<br />
[13] Nouranian, S., et al. (2014). “An interatomic potential for saturated hydrocarbons based on<br />
the modified embedded-atom method.” Royal Society of Chemistry, 16: 6233.<br />
<br />
[14] Khalatur P.G. (2012). Molecular Dynamics Simulations in Polymer Science: Methods and<br />
Main Results. Polymer Science: A Comprehensive Review, 1: 417-460.<br />
<br />
[15] Changwoon, J. (2013). Interfacial shear strength of cured vinyl ester resin-graphite<br />
nanoplatelet from moleculr dynamic simulations.” Polymer 54: 3282-3289.<br />
<br />
[16] Changwoon, J. (2012). “Relative Reactivity Volume Criterian for Cross-Linking:<br />
Application to Vinyl Ester Resin Molecular Dynamic Simulations.” Macromolecules, 45:<br />
4876-4885.<br />
<br />
[17] Odegard, G. M., et al. “Prediction of Mechanical Properties of Polymers with Various<br />
Force Fields.” American Institute of Aeronautics and Astronautics: 1-12.<br />
<br />
<references/><br />
<br />
[[Category: Macroscale]]</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/A_proposal_to_Investigate_Stitched_Composites_Undergoing_Delamination_Using_Multiscale_Modeling_ApproachA proposal to Investigate Stitched Composites Undergoing Delamination Using Multiscale Modeling Approach2017-04-01T20:56:06Z<p>Ddrake: </p>
<hr />
<div>==Problem Description==<br />
Carbon fiber-reinforced composite (CFRC) materials are extensively used in the aerospace industry to enable significant weight savings due to their high in-plane specific strength and stiffness. However, this benefit is countered by their low out-of-plane properties, such as interlaminar strength, that make CFRC structures susceptible to delamination. To prevent delamination, through-the-thickness stitching has been shown experimentally alleviate the damage propagation due to impact in CFRCs. Material optimization of stitched composites is required to reduce delamination at a macroscale. Atomistic to macroscale structure-property relationships need to be established and quantified to reduce delamination behavior of stitched composites. This proposal presents a pathway to develop hierarchical multiscale modeling approach from all length scales to reduce delamination. <br />
[[Image:MS_Stitch_Slide.jpg|right|thumb|650px|Investigation of Stitched Composites Undergoing Delamination Using a Multiscale Modeling Approach.]]<br />
<br />
==Mutliscale Modeling Approach==<br />
The multiscale modeling approach will be performed at all individual length scales for both<br />
the epoxy and carbon fiber constituents. These length scales are the structural, macro, meso, micro,<br />
atomistic, and electronic length scales. At the atomistic level, atomistic potientals are required to<br />
study the molecular behavior of epoxy chains and carbon-fiber crystalline structure under<br />
deformation. These atomistic potentials can be calculated from Density Functional Theory and the<br />
Modified Embedded Atom Theory (MEAM). MEAM has been previously used to calculate<br />
the interatomic potential for saturated hydrocarbons. However, MEAM theory has not yet<br />
been extended for cross-linked epoxy polymers that are not hydrocarbons. Therefore, a part of this<br />
research will be used to develop interatomic potentials using MEAM for highly cross-linked<br />
epoxies.<br />
<br />
Using the interatomic potentials from MEAM, molecular dynamic (MD) simulations will<br />
be performed to understand polymer chain mobility and the crystalline structure of the carbon<br />
fiber. The strain rate mechanisms at the atomistic level will be evaluated and upscaled to a<br />
macroscale continuum model. Additionally, course-graining MD can be used to reach higher<br />
length scales to study the void nucleation behavior that results from cavitation, crazing, and chain<br />
scission at the atomistic level. Interaction studies of the carbon fiber will also need to be<br />
performed to evaluate the interfacial shear strength and interfacial stiffness between the carbon<br />
fiber and epoxy. Recent studies have shown that the interfacial stiffness can vary near the graphite<br />
atoms with different surface chemical groups to promote adhesion.<br />
<br />
Information regarding void nucleation can be incorporated into a micromechancs finite<br />
element model (FEM) to investigate void and crack interaction. Void and crack propagation can<br />
be studied due to their interaction in polymer stitched composites at a macroscale continuum level.<br />
Surrogate optimization techniques such as design of experiments and ensemble weighted method<br />
can be subsequently employed to minimize the delamination behavior at the structural scale.<br />
<br />
==References==<br />
[1] Mouritz, A. P., et al. (1997). "A review of the effect of stitching on the in-plane mechanical<br />
properties of fibre-reinforced polymer composites." Composites Part A: Applied Science<br />
and Manufacturing 28(12): 979-991.<br />
<br />
[2] Nishimura, A., et al. (1986). “New fabric structures for composite.” Recent Adv. In Japan<br />
and the United States: 29-36<br />
<br />
[3] Tan, K. T., et al. (2010). "Effect of stitch density and stitch thread thickness on low-velocity<br />
impact damage of stitched composites." Composites Part A: Applied Science and<br />
Manufacturing 41(12): 1857-1868.<br />
<br />
[4] Aktaş, A., et al. (2014). "Impact and post impact (CAI) behavior of stitched woven–knit<br />
hybrid composites." Composite Structures 116: 243-253.<br />
<br />
[5] Tan, K. T., et al. (2013). "Effect of stitch density and stitch thread thickness on damage<br />
progression and failure characteristics of stitched composites under out-of-plane loading."<br />
Composites Science and Technology 74: 194-204.<br />
<br />
[6] Liotier, P.-J., et al. (2010). "Characterization of 3D morphology and microcracks in<br />
composites reinforced by multi-axial multi-ply stitched preforms." Composites Part A:<br />
Applied Science and Manufacturing 41(5): 653-662.<br />
<br />
[7] Carvelli, V. “Mutli-Scale Mechanical Numerical Analysis of Multi-Axial Composites.”<br />
16th International Conference on Composite Materials: 1-7.<br />
<br />
[8] Carvelli, V., et al. (2010). "Fatigue and post-fatigue tensile behaviour of non-crimp stitched<br />
and unstitched carbon/epoxy composites." Composites Science and Technology 70(15):<br />
2216-2224.<br />
<br />
[9] Bathgate, R. G., et al. (1997). "Effects of temperature on the creep behaviour of woven and<br />
stitched composites." Composite Structures 38(1–4): 435-445.<br />
<br />
[10] Pang, F., et al. (1997). "Creep response of woven-fibre composites and the effect of<br />
stitching." Composites Science and Technology 57(1): 91-98.<br />
<br />
[11] Tan, K. T., et al. (2010). "Experimental investigation of bridging law for single stitch fibre<br />
using Interlaminar tension test." Composite Structures 92(6): 1399-1409.<br />
<br />
[12] Horstemeyer, M. (2012). Integrated Computational Materials Engineering (ICME) For<br />
Metals. Chapter 5: 146-147.<br />
<br />
[13] Nouranian, S., et al. (2014). “An interatomic potential for saturated hydrocarbons based on<br />
the modified embedded-atom method.” Royal Society of Chemistry, 16: 6233.<br />
<br />
[14] Khalatur P.G. (2012). Molecular Dynamics Simulations in Polymer Science: Methods and<br />
Main Results. Polymer Science: A Comprehensive Review, 1: 417-460.<br />
<br />
[15] Changwoon, J. (2013). Interfacial shear strength of cured vinyl ester resin-graphite<br />
nanoplatelet from moleculr dynamic simulations.” Polymer 54: 3282-3289.<br />
<br />
[16] Changwoon, J. (2012). “Relative Reactivity Volume Criterian for Cross-Linking:<br />
Application to Vinyl Ester Resin Molecular Dynamic Simulations.” Macromolecules, 45:<br />
4876-4885.<br />
<br />
[17] Odegard, G. M., et al. “Prediction of Mechanical Properties of Polymers with Various<br />
Force Fields.” American Institute of Aeronautics and Astronautics: 1-12.<br />
<br />
<references/><br />
<br />
[[Category: Macroscale]]</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/A_proposal_to_Investigate_Stitched_Composites_Undergoing_Delamination_Using_Multiscale_Modeling_ApproachA proposal to Investigate Stitched Composites Undergoing Delamination Using Multiscale Modeling Approach2017-04-01T20:55:48Z<p>Ddrake: /* Mutliscale Modeling Approach */</p>
<hr />
<div>==Problem Description==<br />
Carbon fiber-reinforced composite (CFRC) materials are extensively used in the aerospace industry to enable significant weight savings due to their high in-plane specific strength and stiffness. However, this benefit is countered by their low out-of-plane properties, such as interlaminar strength, that make CFRC structures susceptible to delamination. To prevent delamination, through-the-thickness stitching has been shown experimentally alleviate the damage propagation due to impact in CFRCs. Material optimization of stitched composites is required to reduce delamination at a macroscale. Atomistic to macroscale structure-property relationships need to be established and quantified to reduce delamination behavior of stitched composites. This proposal presents a pathway to develop hierarchical multiscale modeling approach from all length scales to reduce delamination. <br />
[[Image:MS_Stitch_Slide.jpg|right|thumb|650px|Investigation of Stitched Composites Undergoing Delamination Using a Multiscale Modeling Approach.]]<br />
<br />
==Mutliscale Modeling Approach==<br />
The multiscale modeling approach will be performed at all individual length scales for both<br />
the epoxy and carbon fiber constituents. These length scales are the structural, macro, meso, micro,<br />
atomistic, and electronic length scales. At the atomistic level, atomistic potientals are required to<br />
study the molecular behavior of epoxy chains and carbon-fiber crystalline structure under<br />
deformation. These atomistic potentials can be calculated from Density Functional Theory and the<br />
Modified Embedded Atom Theory (MEAM). MEAM has been previously used to calculate<br />
the interatomic potential for saturated hydrocarbons. However, MEAM theory has not yet<br />
been extended for cross-linked epoxy polymers that are not hydrocarbons. Therefore, a part of this<br />
research will be used to develop interatomic potentials using MEAM for highly cross-linked<br />
epoxies.<br />
<br />
Using the interatomic potentials from MEAM, molecular dynamic (MD) simulations will<br />
be performed to understand polymer chain mobility and the crystalline structure of the carbon<br />
fiber. The strain rate mechanisms at the atomistic level will be evaluated and upscaled to a<br />
macroscale continuum model. Additionally, course-graining MD can be used to reach higher<br />
length scales to study the void nucleation behavior that results from cavitation, crazing, and chain<br />
scission at the atomistic level. Interaction studies of the carbon fiber will also need to be<br />
performed to evaluate the interfacial shear strength and interfacial stiffness between the carbon<br />
fiber and epoxy. Recent studies have shown that the interfacial stiffness can vary near the graphite<br />
atoms with different surface chemical groups to promote adhesion.<br />
<br />
Information regarding void nucleation can be incorporated into a micromechancs finite<br />
element model (FEM) to investigate void and crack interaction. Void and crack propagation can<br />
be studied due to their interaction in polymer stitched composites at a macroscale continuum level.<br />
Surrogate optimization techniques such as design of experiments and ensemble weighted method<br />
can be subsequently employed to minimize the delamination behavior at the structural scale.<br />
<br />
==Microscale==<br />
<br />
<br />
==Nanoscale==<br />
<br />
<br />
==Electronic Scale==<br />
<br />
<br />
==References==<br />
[1] Mouritz, A. P., et al. (1997). "A review of the effect of stitching on the in-plane mechanical<br />
properties of fibre-reinforced polymer composites." Composites Part A: Applied Science<br />
and Manufacturing 28(12): 979-991.<br />
<br />
[2] Nishimura, A., et al. (1986). “New fabric structures for composite.” Recent Adv. In Japan<br />
and the United States: 29-36<br />
<br />
[3] Tan, K. T., et al. (2010). "Effect of stitch density and stitch thread thickness on low-velocity<br />
impact damage of stitched composites." Composites Part A: Applied Science and<br />
Manufacturing 41(12): 1857-1868.<br />
<br />
[4] Aktaş, A., et al. (2014). "Impact and post impact (CAI) behavior of stitched woven–knit<br />
hybrid composites." Composite Structures 116: 243-253.<br />
<br />
[5] Tan, K. T., et al. (2013). "Effect of stitch density and stitch thread thickness on damage<br />
progression and failure characteristics of stitched composites under out-of-plane loading."<br />
Composites Science and Technology 74: 194-204.<br />
<br />
[6] Liotier, P.-J., et al. (2010). "Characterization of 3D morphology and microcracks in<br />
composites reinforced by multi-axial multi-ply stitched preforms." Composites Part A:<br />
Applied Science and Manufacturing 41(5): 653-662.<br />
<br />
[7] Carvelli, V. “Mutli-Scale Mechanical Numerical Analysis of Multi-Axial Composites.”<br />
16th International Conference on Composite Materials: 1-7.<br />
<br />
[8] Carvelli, V., et al. (2010). "Fatigue and post-fatigue tensile behaviour of non-crimp stitched<br />
and unstitched carbon/epoxy composites." Composites Science and Technology 70(15):<br />
2216-2224.<br />
<br />
[9] Bathgate, R. G., et al. (1997). "Effects of temperature on the creep behaviour of woven and<br />
stitched composites." Composite Structures 38(1–4): 435-445.<br />
<br />
[10] Pang, F., et al. (1997). "Creep response of woven-fibre composites and the effect of<br />
stitching." Composites Science and Technology 57(1): 91-98.<br />
<br />
[11] Tan, K. T., et al. (2010). "Experimental investigation of bridging law for single stitch fibre<br />
using Interlaminar tension test." Composite Structures 92(6): 1399-1409.<br />
<br />
[12] Horstemeyer, M. (2012). Integrated Computational Materials Engineering (ICME) For<br />
Metals. Chapter 5: 146-147.<br />
<br />
[13] Nouranian, S., et al. (2014). “An interatomic potential for saturated hydrocarbons based on<br />
the modified embedded-atom method.” Royal Society of Chemistry, 16: 6233.<br />
<br />
[14] Khalatur P.G. (2012). Molecular Dynamics Simulations in Polymer Science: Methods and<br />
Main Results. Polymer Science: A Comprehensive Review, 1: 417-460.<br />
<br />
[15] Changwoon, J. (2013). Interfacial shear strength of cured vinyl ester resin-graphite<br />
nanoplatelet from moleculr dynamic simulations.” Polymer 54: 3282-3289.<br />
<br />
[16] Changwoon, J. (2012). “Relative Reactivity Volume Criterian for Cross-Linking:<br />
Application to Vinyl Ester Resin Molecular Dynamic Simulations.” Macromolecules, 45:<br />
4876-4885.<br />
<br />
[17] Odegard, G. M., et al. “Prediction of Mechanical Properties of Polymers with Various<br />
Force Fields.” American Institute of Aeronautics and Astronautics: 1-12.<br />
<br />
<references/><br />
<br />
[[Category: Macroscale]]</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/A_proposal_to_Investigate_Stitched_Composites_Undergoing_Delamination_Using_Multiscale_Modeling_ApproachA proposal to Investigate Stitched Composites Undergoing Delamination Using Multiscale Modeling Approach2017-04-01T20:55:34Z<p>Ddrake: /* Mutliscale Modeling Approache */</p>
<hr />
<div>==Problem Description==<br />
Carbon fiber-reinforced composite (CFRC) materials are extensively used in the aerospace industry to enable significant weight savings due to their high in-plane specific strength and stiffness. However, this benefit is countered by their low out-of-plane properties, such as interlaminar strength, that make CFRC structures susceptible to delamination. To prevent delamination, through-the-thickness stitching has been shown experimentally alleviate the damage propagation due to impact in CFRCs. Material optimization of stitched composites is required to reduce delamination at a macroscale. Atomistic to macroscale structure-property relationships need to be established and quantified to reduce delamination behavior of stitched composites. This proposal presents a pathway to develop hierarchical multiscale modeling approach from all length scales to reduce delamination. <br />
[[Image:MS_Stitch_Slide.jpg|right|thumb|650px|Investigation of Stitched Composites Undergoing Delamination Using a Multiscale Modeling Approach.]]<br />
<br />
==Mutliscale Modeling Approach==<br />
The multiscale modeling approach will be performed at all individual length scales for both<br />
the epoxy and carbon fiber constituents. These length scales are the structural, macro, meso, micro,<br />
atomistic, and electronic length scales. At the atomistic level, atomistic potientals are required to<br />
study the molecular behavior of epoxy chains and carbon-fiber crystalline structure under<br />
deformation. These atomistic potentials can be calculated from Density Functional Theory and the<br />
Modified Embedded Atom Theory (MEAM). MEAM has been previously used to calculate<br />
the interatomic potential for saturated hydrocarbons. However, MEAM theory has not yet<br />
been extended for cross-linked epoxy polymers that are not hydrocarbons. Therefore, a part of this<br />
research will be used to develop interatomic potentials using MEAM for highly cross-linked<br />
epoxies.<br />
Using the interatomic potentials from MEAM, molecular dynamic (MD) simulations will<br />
be performed to understand polymer chain mobility and the crystalline structure of the carbon<br />
fiber. The strain rate mechanisms at the atomistic level will be evaluated and upscaled to a<br />
macroscale continuum model. Additionally, course-graining MD can be used to reach higher<br />
length scales to study the void nucleation behavior that results from cavitation, crazing, and chain<br />
scission at the atomistic level. Interaction studies of the carbon fiber will also need to be<br />
performed to evaluate the interfacial shear strength and interfacial stiffness between the carbon<br />
fiber and epoxy. Recent studies have shown that the interfacial stiffness can vary near the graphite<br />
atoms with different surface chemical groups to promote adhesion.<br />
Information regarding void nucleation can be incorporated into a micromechancs finite<br />
element model (FEM) to investigate void and crack interaction. Void and crack propagation can<br />
be studied due to their interaction in polymer stitched composites at a macroscale continuum level.<br />
Surrogate optimization techniques such as design of experiments and ensemble weighted method<br />
can be subsequently employed to minimize the delamination behavior at the structural scale.<br />
<br />
==Microscale==<br />
<br />
<br />
==Nanoscale==<br />
<br />
<br />
==Electronic Scale==<br />
<br />
<br />
==References==<br />
[1] Mouritz, A. P., et al. (1997). "A review of the effect of stitching on the in-plane mechanical<br />
properties of fibre-reinforced polymer composites." Composites Part A: Applied Science<br />
and Manufacturing 28(12): 979-991.<br />
<br />
[2] Nishimura, A., et al. (1986). “New fabric structures for composite.” Recent Adv. In Japan<br />
and the United States: 29-36<br />
<br />
[3] Tan, K. T., et al. (2010). "Effect of stitch density and stitch thread thickness on low-velocity<br />
impact damage of stitched composites." Composites Part A: Applied Science and<br />
Manufacturing 41(12): 1857-1868.<br />
<br />
[4] Aktaş, A., et al. (2014). "Impact and post impact (CAI) behavior of stitched woven–knit<br />
hybrid composites." Composite Structures 116: 243-253.<br />
<br />
[5] Tan, K. T., et al. (2013). "Effect of stitch density and stitch thread thickness on damage<br />
progression and failure characteristics of stitched composites under out-of-plane loading."<br />
Composites Science and Technology 74: 194-204.<br />
<br />
[6] Liotier, P.-J., et al. (2010). "Characterization of 3D morphology and microcracks in<br />
composites reinforced by multi-axial multi-ply stitched preforms." Composites Part A:<br />
Applied Science and Manufacturing 41(5): 653-662.<br />
<br />
[7] Carvelli, V. “Mutli-Scale Mechanical Numerical Analysis of Multi-Axial Composites.”<br />
16th International Conference on Composite Materials: 1-7.<br />
<br />
[8] Carvelli, V., et al. (2010). "Fatigue and post-fatigue tensile behaviour of non-crimp stitched<br />
and unstitched carbon/epoxy composites." Composites Science and Technology 70(15):<br />
2216-2224.<br />
<br />
[9] Bathgate, R. G., et al. (1997). "Effects of temperature on the creep behaviour of woven and<br />
stitched composites." Composite Structures 38(1–4): 435-445.<br />
<br />
[10] Pang, F., et al. (1997). "Creep response of woven-fibre composites and the effect of<br />
stitching." Composites Science and Technology 57(1): 91-98.<br />
<br />
[11] Tan, K. T., et al. (2010). "Experimental investigation of bridging law for single stitch fibre<br />
using Interlaminar tension test." Composite Structures 92(6): 1399-1409.<br />
<br />
[12] Horstemeyer, M. (2012). Integrated Computational Materials Engineering (ICME) For<br />
Metals. Chapter 5: 146-147.<br />
<br />
[13] Nouranian, S., et al. (2014). “An interatomic potential for saturated hydrocarbons based on<br />
the modified embedded-atom method.” Royal Society of Chemistry, 16: 6233.<br />
<br />
[14] Khalatur P.G. (2012). Molecular Dynamics Simulations in Polymer Science: Methods and<br />
Main Results. Polymer Science: A Comprehensive Review, 1: 417-460.<br />
<br />
[15] Changwoon, J. (2013). Interfacial shear strength of cured vinyl ester resin-graphite<br />
nanoplatelet from moleculr dynamic simulations.” Polymer 54: 3282-3289.<br />
<br />
[16] Changwoon, J. (2012). “Relative Reactivity Volume Criterian for Cross-Linking:<br />
Application to Vinyl Ester Resin Molecular Dynamic Simulations.” Macromolecules, 45:<br />
4876-4885.<br />
<br />
[17] Odegard, G. M., et al. “Prediction of Mechanical Properties of Polymers with Various<br />
Force Fields.” American Institute of Aeronautics and Astronautics: 1-12.<br />
<br />
<references/><br />
<br />
[[Category: Macroscale]]</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/A_proposal_to_Investigate_Stitched_Composites_Undergoing_Delamination_Using_Multiscale_Modeling_ApproachA proposal to Investigate Stitched Composites Undergoing Delamination Using Multiscale Modeling Approach2017-04-01T20:55:24Z<p>Ddrake: /* Macroscale */</p>
<hr />
<div>==Problem Description==<br />
Carbon fiber-reinforced composite (CFRC) materials are extensively used in the aerospace industry to enable significant weight savings due to their high in-plane specific strength and stiffness. However, this benefit is countered by their low out-of-plane properties, such as interlaminar strength, that make CFRC structures susceptible to delamination. To prevent delamination, through-the-thickness stitching has been shown experimentally alleviate the damage propagation due to impact in CFRCs. Material optimization of stitched composites is required to reduce delamination at a macroscale. Atomistic to macroscale structure-property relationships need to be established and quantified to reduce delamination behavior of stitched composites. This proposal presents a pathway to develop hierarchical multiscale modeling approach from all length scales to reduce delamination. <br />
[[Image:MS_Stitch_Slide.jpg|right|thumb|650px|Investigation of Stitched Composites Undergoing Delamination Using a Multiscale Modeling Approach.]]<br />
<br />
==Mutliscale Modeling Approache==<br />
The multiscale modeling approach will be performed at all individual length scales for both<br />
the epoxy and carbon fiber constituents. These length scales are the structural, macro, meso, micro,<br />
atomistic, and electronic length scales. At the atomistic level, atomistic potientals are required to<br />
study the molecular behavior of epoxy chains and carbon-fiber crystalline structure under<br />
deformation. These atomistic potentials can be calculated from Density Functional Theory and the<br />
Modified Embedded Atom Theory (MEAM). MEAM has been previously used to calculate<br />
the interatomic potential for saturated hydrocarbons. However, MEAM theory has not yet<br />
been extended for cross-linked epoxy polymers that are not hydrocarbons. Therefore, a part of this<br />
research will be used to develop interatomic potentials using MEAM for highly cross-linked<br />
epoxies.<br />
Using the interatomic potentials from MEAM, molecular dynamic (MD) simulations will<br />
be performed to understand polymer chain mobility and the crystalline structure of the carbon<br />
fiber. The strain rate mechanisms at the atomistic level will be evaluated and upscaled to a<br />
macroscale continuum model. Additionally, course-graining MD can be used to reach higher<br />
length scales to study the void nucleation behavior that results from cavitation, crazing, and chain<br />
scission at the atomistic level. Interaction studies of the carbon fiber will also need to be<br />
performed to evaluate the interfacial shear strength and interfacial stiffness between the carbon<br />
fiber and epoxy. Recent studies have shown that the interfacial stiffness can vary near the graphite<br />
atoms with different surface chemical groups to promote adhesion.<br />
Information regarding void nucleation can be incorporated into a micromechancs finite<br />
element model (FEM) to investigate void and crack interaction. Void and crack propagation can<br />
be studied due to their interaction in polymer stitched composites at a macroscale continuum level.<br />
Surrogate optimization techniques such as design of experiments and ensemble weighted method<br />
can be subsequently employed to minimize the delamination behavior at the structural scale.<br />
<br />
==Microscale==<br />
<br />
<br />
==Nanoscale==<br />
<br />
<br />
==Electronic Scale==<br />
<br />
<br />
==References==<br />
[1] Mouritz, A. P., et al. (1997). "A review of the effect of stitching on the in-plane mechanical<br />
properties of fibre-reinforced polymer composites." Composites Part A: Applied Science<br />
and Manufacturing 28(12): 979-991.<br />
<br />
[2] Nishimura, A., et al. (1986). “New fabric structures for composite.” Recent Adv. In Japan<br />
and the United States: 29-36<br />
<br />
[3] Tan, K. T., et al. (2010). "Effect of stitch density and stitch thread thickness on low-velocity<br />
impact damage of stitched composites." Composites Part A: Applied Science and<br />
Manufacturing 41(12): 1857-1868.<br />
<br />
[4] Aktaş, A., et al. (2014). "Impact and post impact (CAI) behavior of stitched woven–knit<br />
hybrid composites." Composite Structures 116: 243-253.<br />
<br />
[5] Tan, K. T., et al. (2013). "Effect of stitch density and stitch thread thickness on damage<br />
progression and failure characteristics of stitched composites under out-of-plane loading."<br />
Composites Science and Technology 74: 194-204.<br />
<br />
[6] Liotier, P.-J., et al. (2010). "Characterization of 3D morphology and microcracks in<br />
composites reinforced by multi-axial multi-ply stitched preforms." Composites Part A:<br />
Applied Science and Manufacturing 41(5): 653-662.<br />
<br />
[7] Carvelli, V. “Mutli-Scale Mechanical Numerical Analysis of Multi-Axial Composites.”<br />
16th International Conference on Composite Materials: 1-7.<br />
<br />
[8] Carvelli, V., et al. (2010). "Fatigue and post-fatigue tensile behaviour of non-crimp stitched<br />
and unstitched carbon/epoxy composites." Composites Science and Technology 70(15):<br />
2216-2224.<br />
<br />
[9] Bathgate, R. G., et al. (1997). "Effects of temperature on the creep behaviour of woven and<br />
stitched composites." Composite Structures 38(1–4): 435-445.<br />
<br />
[10] Pang, F., et al. (1997). "Creep response of woven-fibre composites and the effect of<br />
stitching." Composites Science and Technology 57(1): 91-98.<br />
<br />
[11] Tan, K. T., et al. (2010). "Experimental investigation of bridging law for single stitch fibre<br />
using Interlaminar tension test." Composite Structures 92(6): 1399-1409.<br />
<br />
[12] Horstemeyer, M. (2012). Integrated Computational Materials Engineering (ICME) For<br />
Metals. Chapter 5: 146-147.<br />
<br />
[13] Nouranian, S., et al. (2014). “An interatomic potential for saturated hydrocarbons based on<br />
the modified embedded-atom method.” Royal Society of Chemistry, 16: 6233.<br />
<br />
[14] Khalatur P.G. (2012). Molecular Dynamics Simulations in Polymer Science: Methods and<br />
Main Results. Polymer Science: A Comprehensive Review, 1: 417-460.<br />
<br />
[15] Changwoon, J. (2013). Interfacial shear strength of cured vinyl ester resin-graphite<br />
nanoplatelet from moleculr dynamic simulations.” Polymer 54: 3282-3289.<br />
<br />
[16] Changwoon, J. (2012). “Relative Reactivity Volume Criterian for Cross-Linking:<br />
Application to Vinyl Ester Resin Molecular Dynamic Simulations.” Macromolecules, 45:<br />
4876-4885.<br />
<br />
[17] Odegard, G. M., et al. “Prediction of Mechanical Properties of Polymers with Various<br />
Force Fields.” American Institute of Aeronautics and Astronautics: 1-12.<br />
<br />
<references/><br />
<br />
[[Category: Macroscale]]</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/A_proposal_to_Investigate_Stitched_Composites_Undergoing_Delamination_Using_Multiscale_Modeling_ApproachA proposal to Investigate Stitched Composites Undergoing Delamination Using Multiscale Modeling Approach2017-04-01T20:47:46Z<p>Ddrake: </p>
<hr />
<div>==Problem Description==<br />
Carbon fiber-reinforced composite (CFRC) materials are extensively used in the aerospace industry to enable significant weight savings due to their high in-plane specific strength and stiffness. However, this benefit is countered by their low out-of-plane properties, such as interlaminar strength, that make CFRC structures susceptible to delamination. To prevent delamination, through-the-thickness stitching has been shown experimentally alleviate the damage propagation due to impact in CFRCs. Material optimization of stitched composites is required to reduce delamination at a macroscale. Atomistic to macroscale structure-property relationships need to be established and quantified to reduce delamination behavior of stitched composites. This proposal presents a pathway to develop hierarchical multiscale modeling approach from all length scales to reduce delamination. <br />
[[Image:MS_Stitch_Slide.jpg|right|thumb|650px|Investigation of Stitched Composites Undergoing Delamination Using a Multiscale Modeling Approach.]]<br />
<br />
==Macroscale==<br />
<br />
<br />
==Microscale==<br />
<br />
<br />
==Nanoscale==<br />
<br />
<br />
==Electronic Scale==<br />
<br />
<br />
==References==<br />
[1] Mouritz, A. P., et al. (1997). "A review of the effect of stitching on the in-plane mechanical<br />
properties of fibre-reinforced polymer composites." Composites Part A: Applied Science<br />
and Manufacturing 28(12): 979-991.<br />
<br />
[2] Nishimura, A., et al. (1986). “New fabric structures for composite.” Recent Adv. In Japan<br />
and the United States: 29-36<br />
<br />
[3] Tan, K. T., et al. (2010). "Effect of stitch density and stitch thread thickness on low-velocity<br />
impact damage of stitched composites." Composites Part A: Applied Science and<br />
Manufacturing 41(12): 1857-1868.<br />
<br />
[4] Aktaş, A., et al. (2014). "Impact and post impact (CAI) behavior of stitched woven–knit<br />
hybrid composites." Composite Structures 116: 243-253.<br />
<br />
[5] Tan, K. T., et al. (2013). "Effect of stitch density and stitch thread thickness on damage<br />
progression and failure characteristics of stitched composites under out-of-plane loading."<br />
Composites Science and Technology 74: 194-204.<br />
<br />
[6] Liotier, P.-J., et al. (2010). "Characterization of 3D morphology and microcracks in<br />
composites reinforced by multi-axial multi-ply stitched preforms." Composites Part A:<br />
Applied Science and Manufacturing 41(5): 653-662.<br />
<br />
[7] Carvelli, V. “Mutli-Scale Mechanical Numerical Analysis of Multi-Axial Composites.”<br />
16th International Conference on Composite Materials: 1-7.<br />
<br />
[8] Carvelli, V., et al. (2010). "Fatigue and post-fatigue tensile behaviour of non-crimp stitched<br />
and unstitched carbon/epoxy composites." Composites Science and Technology 70(15):<br />
2216-2224.<br />
<br />
[9] Bathgate, R. G., et al. (1997). "Effects of temperature on the creep behaviour of woven and<br />
stitched composites." Composite Structures 38(1–4): 435-445.<br />
<br />
[10] Pang, F., et al. (1997). "Creep response of woven-fibre composites and the effect of<br />
stitching." Composites Science and Technology 57(1): 91-98.<br />
<br />
[11] Tan, K. T., et al. (2010). "Experimental investigation of bridging law for single stitch fibre<br />
using Interlaminar tension test." Composite Structures 92(6): 1399-1409.<br />
<br />
[12] Horstemeyer, M. (2012). Integrated Computational Materials Engineering (ICME) For<br />
Metals. Chapter 5: 146-147.<br />
<br />
[13] Nouranian, S., et al. (2014). “An interatomic potential for saturated hydrocarbons based on<br />
the modified embedded-atom method.” Royal Society of Chemistry, 16: 6233.<br />
<br />
[14] Khalatur P.G. (2012). Molecular Dynamics Simulations in Polymer Science: Methods and<br />
Main Results. Polymer Science: A Comprehensive Review, 1: 417-460.<br />
<br />
[15] Changwoon, J. (2013). Interfacial shear strength of cured vinyl ester resin-graphite<br />
nanoplatelet from moleculr dynamic simulations.” Polymer 54: 3282-3289.<br />
<br />
[16] Changwoon, J. (2012). “Relative Reactivity Volume Criterian for Cross-Linking:<br />
Application to Vinyl Ester Resin Molecular Dynamic Simulations.” Macromolecules, 45:<br />
4876-4885.<br />
<br />
[17] Odegard, G. M., et al. “Prediction of Mechanical Properties of Polymers with Various<br />
Force Fields.” American Institute of Aeronautics and Astronautics: 1-12.<br />
<br />
<references/><br />
<br />
[[Category: Macroscale]]</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/A_proposal_to_Investigate_Stitched_Composites_Undergoing_Delamination_Using_Multiscale_Modeling_ApproachA proposal to Investigate Stitched Composites Undergoing Delamination Using Multiscale Modeling Approach2017-04-01T20:42:28Z<p>Ddrake: /* Problem Description */</p>
<hr />
<div>===Problem Description===<br />
Carbon fiber-reinforced composite (CFRC) materials are extensively used in the aerospace industry to enable significant weight savings due to their high in-plane specific strength and stiffness. However, this benefit is countered by their low out-of-plane properties, such as interlaminar strength, that make CFRC structures susceptible to delamination. To prevent delamination, through-the-thickness stitching has been shown experimentally alleviate the damage propagation due to impact in CFRCs. Material optimization of stitched composites is required to reduce delamination at a macroscale. Atomistic to macroscale structure-property relationships need to be established and quantified to reduce delamination behavior of stitched composites. This proposal presents a pathway to develop hierarchical multiscale modeling approach from all length scales to reduce delamination. <br />
[[Image:MS_Stitch_Slide.jpg|right|thumb|650px|Investigation of Stitched Composites Undergoing Delamination Using a Multiscale Modeling Approach.]]<br />
<br />
===Macroscale===<br />
<br />
<br />
===Microscale===<br />
<br />
<br />
===Nanoscale===<br />
<br />
<br />
===Electronic Scale===<br />
<br />
<br />
===References===<br />
[1] Mouritz, A. P., et al. (1997). "A review of the effect of stitching on the in-plane mechanical<br />
properties of fibre-reinforced polymer composites." Composites Part A: Applied Science<br />
and Manufacturing 28(12): 979-991.<br />
<br />
[2] Nishimura, A., et al. (1986). “New fabric structures for composite.” Recent Adv. In Japan<br />
and the United States: 29-36<br />
<br />
[3] Tan, K. T., et al. (2010). "Effect of stitch density and stitch thread thickness on low-velocity<br />
impact damage of stitched composites." Composites Part A: Applied Science and<br />
Manufacturing 41(12): 1857-1868.<br />
<br />
[4] Aktaş, A., et al. (2014). "Impact and post impact (CAI) behavior of stitched woven–knit<br />
hybrid composites." Composite Structures 116: 243-253.<br />
<br />
[5] Tan, K. T., et al. (2013). "Effect of stitch density and stitch thread thickness on damage<br />
progression and failure characteristics of stitched composites under out-of-plane loading."<br />
Composites Science and Technology 74: 194-204.<br />
<br />
[6] Liotier, P.-J., et al. (2010). "Characterization of 3D morphology and microcracks in<br />
composites reinforced by multi-axial multi-ply stitched preforms." Composites Part A:<br />
Applied Science and Manufacturing 41(5): 653-662.<br />
<br />
[7] Carvelli, V. “Mutli-Scale Mechanical Numerical Analysis of Multi-Axial Composites.”<br />
16th International Conference on Composite Materials: 1-7.<br />
<br />
[8] Carvelli, V., et al. (2010). "Fatigue and post-fatigue tensile behaviour of non-crimp stitched<br />
and unstitched carbon/epoxy composites." Composites Science and Technology 70(15):<br />
2216-2224.<br />
<br />
[9] Bathgate, R. G., et al. (1997). "Effects of temperature on the creep behaviour of woven and<br />
stitched composites." Composite Structures 38(1–4): 435-445.<br />
<br />
[10] Pang, F., et al. (1997). "Creep response of woven-fibre composites and the effect of<br />
stitching." Composites Science and Technology 57(1): 91-98.<br />
<br />
[11] Tan, K. T., et al. (2010). "Experimental investigation of bridging law for single stitch fibre<br />
using Interlaminar tension test." Composite Structures 92(6): 1399-1409.<br />
<br />
[12] Horstemeyer, M. (2012). Integrated Computational Materials Engineering (ICME) For<br />
Metals. Chapter 5: 146-147.<br />
<br />
[13] Nouranian, S., et al. (2014). “An interatomic potential for saturated hydrocarbons based on<br />
the modified embedded-atom method.” Royal Society of Chemistry, 16: 6233.<br />
<br />
[14] Khalatur P.G. (2012). Molecular Dynamics Simulations in Polymer Science: Methods and<br />
Main Results. Polymer Science: A Comprehensive Review, 1: 417-460.<br />
<br />
[15] Changwoon, J. (2013). Interfacial shear strength of cured vinyl ester resin-graphite<br />
nanoplatelet from moleculr dynamic simulations.” Polymer 54: 3282-3289.<br />
<br />
[16] Changwoon, J. (2012). “Relative Reactivity Volume Criterian for Cross-Linking:<br />
Application to Vinyl Ester Resin Molecular Dynamic Simulations.” Macromolecules, 45:<br />
4876-4885.<br />
<br />
[17] Odegard, G. M., et al. “Prediction of Mechanical Properties of Polymers with Various<br />
Force Fields.” American Institute of Aeronautics and Astronautics: 1-12.<br />
<br />
<references/><br />
<br />
[[Category: Macroscale]]</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/A_proposal_to_Investigate_Stitched_Composites_Undergoing_Delamination_Using_Multiscale_Modeling_ApproachA proposal to Investigate Stitched Composites Undergoing Delamination Using Multiscale Modeling Approach2017-04-01T20:42:16Z<p>Ddrake: /* Problem Description */</p>
<hr />
<div>===Problem Description===<br />
Carbon fiber-reinforced composite (CFRC) materials are extensively used in the aerospace industry to enable significant weight savings due to their high in-plane specific strength and stiffness. However, this benefit is countered by their low out-of-plane properties, such as interlaminar strength, that make CFRC structures susceptible to delamination. To prevent delamination, through-the-thickness stitching has been shown experimentally alleviate the damage propagation due to impact in CFRCs. Material optimization of stitched composites is required to reduce delamination at a macroscale. Atomistic to macroscale structure-property relationships need to be established and quantified to reduce delamination behavior of stitched composites. This proposal presents a pathway to develop hierarchical multiscale modeling approach from all length scales to reduce delamination. <br />
[[Image:MS_Stitch_Slide.jpg|right|thumb|750px|Investigation of Stitched Composites Undergoing Delamination Using a Multiscale Modeling Approach.]]<br />
<br />
===Macroscale===<br />
<br />
<br />
===Microscale===<br />
<br />
<br />
===Nanoscale===<br />
<br />
<br />
===Electronic Scale===<br />
<br />
<br />
===References===<br />
[1] Mouritz, A. P., et al. (1997). "A review of the effect of stitching on the in-plane mechanical<br />
properties of fibre-reinforced polymer composites." Composites Part A: Applied Science<br />
and Manufacturing 28(12): 979-991.<br />
<br />
[2] Nishimura, A., et al. (1986). “New fabric structures for composite.” Recent Adv. In Japan<br />
and the United States: 29-36<br />
<br />
[3] Tan, K. T., et al. (2010). "Effect of stitch density and stitch thread thickness on low-velocity<br />
impact damage of stitched composites." Composites Part A: Applied Science and<br />
Manufacturing 41(12): 1857-1868.<br />
<br />
[4] Aktaş, A., et al. (2014). "Impact and post impact (CAI) behavior of stitched woven–knit<br />
hybrid composites." Composite Structures 116: 243-253.<br />
<br />
[5] Tan, K. T., et al. (2013). "Effect of stitch density and stitch thread thickness on damage<br />
progression and failure characteristics of stitched composites under out-of-plane loading."<br />
Composites Science and Technology 74: 194-204.<br />
<br />
[6] Liotier, P.-J., et al. (2010). "Characterization of 3D morphology and microcracks in<br />
composites reinforced by multi-axial multi-ply stitched preforms." Composites Part A:<br />
Applied Science and Manufacturing 41(5): 653-662.<br />
<br />
[7] Carvelli, V. “Mutli-Scale Mechanical Numerical Analysis of Multi-Axial Composites.”<br />
16th International Conference on Composite Materials: 1-7.<br />
<br />
[8] Carvelli, V., et al. (2010). "Fatigue and post-fatigue tensile behaviour of non-crimp stitched<br />
and unstitched carbon/epoxy composites." Composites Science and Technology 70(15):<br />
2216-2224.<br />
<br />
[9] Bathgate, R. G., et al. (1997). "Effects of temperature on the creep behaviour of woven and<br />
stitched composites." Composite Structures 38(1–4): 435-445.<br />
<br />
[10] Pang, F., et al. (1997). "Creep response of woven-fibre composites and the effect of<br />
stitching." Composites Science and Technology 57(1): 91-98.<br />
<br />
[11] Tan, K. T., et al. (2010). "Experimental investigation of bridging law for single stitch fibre<br />
using Interlaminar tension test." Composite Structures 92(6): 1399-1409.<br />
<br />
[12] Horstemeyer, M. (2012). Integrated Computational Materials Engineering (ICME) For<br />
Metals. Chapter 5: 146-147.<br />
<br />
[13] Nouranian, S., et al. (2014). “An interatomic potential for saturated hydrocarbons based on<br />
the modified embedded-atom method.” Royal Society of Chemistry, 16: 6233.<br />
<br />
[14] Khalatur P.G. (2012). Molecular Dynamics Simulations in Polymer Science: Methods and<br />
Main Results. Polymer Science: A Comprehensive Review, 1: 417-460.<br />
<br />
[15] Changwoon, J. (2013). Interfacial shear strength of cured vinyl ester resin-graphite<br />
nanoplatelet from moleculr dynamic simulations.” Polymer 54: 3282-3289.<br />
<br />
[16] Changwoon, J. (2012). “Relative Reactivity Volume Criterian for Cross-Linking:<br />
Application to Vinyl Ester Resin Molecular Dynamic Simulations.” Macromolecules, 45:<br />
4876-4885.<br />
<br />
[17] Odegard, G. M., et al. “Prediction of Mechanical Properties of Polymers with Various<br />
Force Fields.” American Institute of Aeronautics and Astronautics: 1-12.<br />
<br />
<references/><br />
<br />
[[Category: Macroscale]]</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/A_proposal_to_Investigate_Stitched_Composites_Undergoing_Delamination_Using_Multiscale_Modeling_ApproachA proposal to Investigate Stitched Composites Undergoing Delamination Using Multiscale Modeling Approach2017-04-01T20:42:07Z<p>Ddrake: /* Problem Description */</p>
<hr />
<div>===Problem Description===<br />
Carbon fiber-reinforced composite (CFRC) materials are extensively used in the aerospace industry to enable significant weight savings due to their high in-plane specific strength and stiffness. However, this benefit is countered by their low out-of-plane properties, such as interlaminar strength, that make CFRC structures susceptible to delamination. To prevent delamination, through-the-thickness stitching has been shown experimentally alleviate the damage propagation due to impact in CFRCs. Material optimization of stitched composites is required to reduce delamination at a macroscale. Atomistic to macroscale structure-property relationships need to be established and quantified to reduce delamination behavior of stitched composites. This proposal presents a pathway to develop hierarchical multiscale modeling approach from all length scales to reduce delamination. <br />
[[Image:MS_Stitch_Slide.jpg|right|thumb|1000px|Investigation of Stitched Composites Undergoing Delamination Using a Multiscale Modeling Approach.]]<br />
<br />
===Macroscale===<br />
<br />
<br />
===Microscale===<br />
<br />
<br />
===Nanoscale===<br />
<br />
<br />
===Electronic Scale===<br />
<br />
<br />
===References===<br />
[1] Mouritz, A. P., et al. (1997). "A review of the effect of stitching on the in-plane mechanical<br />
properties of fibre-reinforced polymer composites." Composites Part A: Applied Science<br />
and Manufacturing 28(12): 979-991.<br />
<br />
[2] Nishimura, A., et al. (1986). “New fabric structures for composite.” Recent Adv. In Japan<br />
and the United States: 29-36<br />
<br />
[3] Tan, K. T., et al. (2010). "Effect of stitch density and stitch thread thickness on low-velocity<br />
impact damage of stitched composites." Composites Part A: Applied Science and<br />
Manufacturing 41(12): 1857-1868.<br />
<br />
[4] Aktaş, A., et al. (2014). "Impact and post impact (CAI) behavior of stitched woven–knit<br />
hybrid composites." Composite Structures 116: 243-253.<br />
<br />
[5] Tan, K. T., et al. (2013). "Effect of stitch density and stitch thread thickness on damage<br />
progression and failure characteristics of stitched composites under out-of-plane loading."<br />
Composites Science and Technology 74: 194-204.<br />
<br />
[6] Liotier, P.-J., et al. (2010). "Characterization of 3D morphology and microcracks in<br />
composites reinforced by multi-axial multi-ply stitched preforms." Composites Part A:<br />
Applied Science and Manufacturing 41(5): 653-662.<br />
<br />
[7] Carvelli, V. “Mutli-Scale Mechanical Numerical Analysis of Multi-Axial Composites.”<br />
16th International Conference on Composite Materials: 1-7.<br />
<br />
[8] Carvelli, V., et al. (2010). "Fatigue and post-fatigue tensile behaviour of non-crimp stitched<br />
and unstitched carbon/epoxy composites." Composites Science and Technology 70(15):<br />
2216-2224.<br />
<br />
[9] Bathgate, R. G., et al. (1997). "Effects of temperature on the creep behaviour of woven and<br />
stitched composites." Composite Structures 38(1–4): 435-445.<br />
<br />
[10] Pang, F., et al. (1997). "Creep response of woven-fibre composites and the effect of<br />
stitching." Composites Science and Technology 57(1): 91-98.<br />
<br />
[11] Tan, K. T., et al. (2010). "Experimental investigation of bridging law for single stitch fibre<br />
using Interlaminar tension test." Composite Structures 92(6): 1399-1409.<br />
<br />
[12] Horstemeyer, M. (2012). Integrated Computational Materials Engineering (ICME) For<br />
Metals. Chapter 5: 146-147.<br />
<br />
[13] Nouranian, S., et al. (2014). “An interatomic potential for saturated hydrocarbons based on<br />
the modified embedded-atom method.” Royal Society of Chemistry, 16: 6233.<br />
<br />
[14] Khalatur P.G. (2012). Molecular Dynamics Simulations in Polymer Science: Methods and<br />
Main Results. Polymer Science: A Comprehensive Review, 1: 417-460.<br />
<br />
[15] Changwoon, J. (2013). Interfacial shear strength of cured vinyl ester resin-graphite<br />
nanoplatelet from moleculr dynamic simulations.” Polymer 54: 3282-3289.<br />
<br />
[16] Changwoon, J. (2012). “Relative Reactivity Volume Criterian for Cross-Linking:<br />
Application to Vinyl Ester Resin Molecular Dynamic Simulations.” Macromolecules, 45:<br />
4876-4885.<br />
<br />
[17] Odegard, G. M., et al. “Prediction of Mechanical Properties of Polymers with Various<br />
Force Fields.” American Institute of Aeronautics and Astronautics: 1-12.<br />
<br />
<references/><br />
<br />
[[Category: Macroscale]]</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/A_proposal_to_Investigate_Stitched_Composites_Undergoing_Delamination_Using_Multiscale_Modeling_ApproachA proposal to Investigate Stitched Composites Undergoing Delamination Using Multiscale Modeling Approach2017-04-01T20:41:52Z<p>Ddrake: /* Problem Description */</p>
<hr />
<div>===Problem Description===<br />
Carbon fiber-reinforced composite (CFRC) materials are extensively used in the aerospace industry to enable significant weight savings due to their high in-plane specific strength and stiffness. However, this benefit is countered by their low out-of-plane properties, such as interlaminar strength, that make CFRC structures susceptible to delamination. To prevent delamination, through-the-thickness stitching has been shown experimentally alleviate the damage propagation due to impact in CFRCs. Material optimization of stitched composites is required to reduce delamination at a macroscale. Atomistic to macroscale structure-property relationships need to be established and quantified to reduce delamination behavior of stitched composites. This proposal presents a pathway to develop hierarchical multiscale modeling approach from all length scales to reduce delamination. <br />
[[Image:MS_Stitch_Slide.jpg|right|thumb|500px|Investigation of Stitched Composites Undergoing Delamination Using a Multiscale Modeling Approach.]]<br />
<br />
===Macroscale===<br />
<br />
<br />
===Microscale===<br />
<br />
<br />
===Nanoscale===<br />
<br />
<br />
===Electronic Scale===<br />
<br />
<br />
===References===<br />
[1] Mouritz, A. P., et al. (1997). "A review of the effect of stitching on the in-plane mechanical<br />
properties of fibre-reinforced polymer composites." Composites Part A: Applied Science<br />
and Manufacturing 28(12): 979-991.<br />
<br />
[2] Nishimura, A., et al. (1986). “New fabric structures for composite.” Recent Adv. In Japan<br />
and the United States: 29-36<br />
<br />
[3] Tan, K. T., et al. (2010). "Effect of stitch density and stitch thread thickness on low-velocity<br />
impact damage of stitched composites." Composites Part A: Applied Science and<br />
Manufacturing 41(12): 1857-1868.<br />
<br />
[4] Aktaş, A., et al. (2014). "Impact and post impact (CAI) behavior of stitched woven–knit<br />
hybrid composites." Composite Structures 116: 243-253.<br />
<br />
[5] Tan, K. T., et al. (2013). "Effect of stitch density and stitch thread thickness on damage<br />
progression and failure characteristics of stitched composites under out-of-plane loading."<br />
Composites Science and Technology 74: 194-204.<br />
<br />
[6] Liotier, P.-J., et al. (2010). "Characterization of 3D morphology and microcracks in<br />
composites reinforced by multi-axial multi-ply stitched preforms." Composites Part A:<br />
Applied Science and Manufacturing 41(5): 653-662.<br />
<br />
[7] Carvelli, V. “Mutli-Scale Mechanical Numerical Analysis of Multi-Axial Composites.”<br />
16th International Conference on Composite Materials: 1-7.<br />
<br />
[8] Carvelli, V., et al. (2010). "Fatigue and post-fatigue tensile behaviour of non-crimp stitched<br />
and unstitched carbon/epoxy composites." Composites Science and Technology 70(15):<br />
2216-2224.<br />
<br />
[9] Bathgate, R. G., et al. (1997). "Effects of temperature on the creep behaviour of woven and<br />
stitched composites." Composite Structures 38(1–4): 435-445.<br />
<br />
[10] Pang, F., et al. (1997). "Creep response of woven-fibre composites and the effect of<br />
stitching." Composites Science and Technology 57(1): 91-98.<br />
<br />
[11] Tan, K. T., et al. (2010). "Experimental investigation of bridging law for single stitch fibre<br />
using Interlaminar tension test." Composite Structures 92(6): 1399-1409.<br />
<br />
[12] Horstemeyer, M. (2012). Integrated Computational Materials Engineering (ICME) For<br />
Metals. Chapter 5: 146-147.<br />
<br />
[13] Nouranian, S., et al. (2014). “An interatomic potential for saturated hydrocarbons based on<br />
the modified embedded-atom method.” Royal Society of Chemistry, 16: 6233.<br />
<br />
[14] Khalatur P.G. (2012). Molecular Dynamics Simulations in Polymer Science: Methods and<br />
Main Results. Polymer Science: A Comprehensive Review, 1: 417-460.<br />
<br />
[15] Changwoon, J. (2013). Interfacial shear strength of cured vinyl ester resin-graphite<br />
nanoplatelet from moleculr dynamic simulations.” Polymer 54: 3282-3289.<br />
<br />
[16] Changwoon, J. (2012). “Relative Reactivity Volume Criterian for Cross-Linking:<br />
Application to Vinyl Ester Resin Molecular Dynamic Simulations.” Macromolecules, 45:<br />
4876-4885.<br />
<br />
[17] Odegard, G. M., et al. “Prediction of Mechanical Properties of Polymers with Various<br />
Force Fields.” American Institute of Aeronautics and Astronautics: 1-12.<br />
<br />
<references/><br />
<br />
[[Category: Macroscale]]</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/A_proposal_to_Investigate_Stitched_Composites_Undergoing_Delamination_Using_Multiscale_Modeling_ApproachA proposal to Investigate Stitched Composites Undergoing Delamination Using Multiscale Modeling Approach2017-04-01T20:41:02Z<p>Ddrake: /* Problem Description */</p>
<hr />
<div>===Problem Description===<br />
Carbon fiber-reinforced composite (CFRC) materials are extensively used in the aerospace industry to enable significant weight savings due to their high in-plane specific strength and stiffness. However, this benefit is countered by their low out-of-plane properties, such as interlaminar strength, that make CFRC structures susceptible to delamination. To prevent delamination, through-the-thickness stitching has been shown experimentally alleviate the damage propagation due to impact in CFRCs. Material optimization of stitched composites is required to reduce delamination at a macroscale. Atomistic to macroscale structure-property relationships need to be established and quantified to reduce delamination behavior of stitched composites. This proposal presents a pathway to develop hierarchical multiscale modeling approach from all length scales to reduce delamination. <br />
[[Image:MS_Stitch_Slide.jpg|right|thumb|2000px|Investigation of Stitched Composites Undergoing Delamination Using a Multiscale Modeling Approach.]]<br />
<br />
===Macroscale===<br />
<br />
<br />
===Microscale===<br />
<br />
<br />
===Nanoscale===<br />
<br />
<br />
===Electronic Scale===<br />
<br />
<br />
===References===<br />
[1] Mouritz, A. P., et al. (1997). "A review of the effect of stitching on the in-plane mechanical<br />
properties of fibre-reinforced polymer composites." Composites Part A: Applied Science<br />
and Manufacturing 28(12): 979-991.<br />
<br />
[2] Nishimura, A., et al. (1986). “New fabric structures for composite.” Recent Adv. In Japan<br />
and the United States: 29-36<br />
<br />
[3] Tan, K. T., et al. (2010). "Effect of stitch density and stitch thread thickness on low-velocity<br />
impact damage of stitched composites." Composites Part A: Applied Science and<br />
Manufacturing 41(12): 1857-1868.<br />
<br />
[4] Aktaş, A., et al. (2014). "Impact and post impact (CAI) behavior of stitched woven–knit<br />
hybrid composites." Composite Structures 116: 243-253.<br />
<br />
[5] Tan, K. T., et al. (2013). "Effect of stitch density and stitch thread thickness on damage<br />
progression and failure characteristics of stitched composites under out-of-plane loading."<br />
Composites Science and Technology 74: 194-204.<br />
<br />
[6] Liotier, P.-J., et al. (2010). "Characterization of 3D morphology and microcracks in<br />
composites reinforced by multi-axial multi-ply stitched preforms." Composites Part A:<br />
Applied Science and Manufacturing 41(5): 653-662.<br />
<br />
[7] Carvelli, V. “Mutli-Scale Mechanical Numerical Analysis of Multi-Axial Composites.”<br />
16th International Conference on Composite Materials: 1-7.<br />
<br />
[8] Carvelli, V., et al. (2010). "Fatigue and post-fatigue tensile behaviour of non-crimp stitched<br />
and unstitched carbon/epoxy composites." Composites Science and Technology 70(15):<br />
2216-2224.<br />
<br />
[9] Bathgate, R. G., et al. (1997). "Effects of temperature on the creep behaviour of woven and<br />
stitched composites." Composite Structures 38(1–4): 435-445.<br />
<br />
[10] Pang, F., et al. (1997). "Creep response of woven-fibre composites and the effect of<br />
stitching." Composites Science and Technology 57(1): 91-98.<br />
<br />
[11] Tan, K. T., et al. (2010). "Experimental investigation of bridging law for single stitch fibre<br />
using Interlaminar tension test." Composite Structures 92(6): 1399-1409.<br />
<br />
[12] Horstemeyer, M. (2012). Integrated Computational Materials Engineering (ICME) For<br />
Metals. Chapter 5: 146-147.<br />
<br />
[13] Nouranian, S., et al. (2014). “An interatomic potential for saturated hydrocarbons based on<br />
the modified embedded-atom method.” Royal Society of Chemistry, 16: 6233.<br />
<br />
[14] Khalatur P.G. (2012). Molecular Dynamics Simulations in Polymer Science: Methods and<br />
Main Results. Polymer Science: A Comprehensive Review, 1: 417-460.<br />
<br />
[15] Changwoon, J. (2013). Interfacial shear strength of cured vinyl ester resin-graphite<br />
nanoplatelet from moleculr dynamic simulations.” Polymer 54: 3282-3289.<br />
<br />
[16] Changwoon, J. (2012). “Relative Reactivity Volume Criterian for Cross-Linking:<br />
Application to Vinyl Ester Resin Molecular Dynamic Simulations.” Macromolecules, 45:<br />
4876-4885.<br />
<br />
[17] Odegard, G. M., et al. “Prediction of Mechanical Properties of Polymers with Various<br />
Force Fields.” American Institute of Aeronautics and Astronautics: 1-12.<br />
<br />
<references/><br />
<br />
[[Category: Macroscale]]</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/File:MS_Stitch_Slide.jpgFile:MS Stitch Slide.jpg2017-04-01T20:40:33Z<p>Ddrake: </p>
<hr />
<div></div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/A_proposal_to_Investigate_Stitched_Composites_Undergoing_Delamination_Using_Multiscale_Modeling_ApproachA proposal to Investigate Stitched Composites Undergoing Delamination Using Multiscale Modeling Approach2017-04-01T20:40:23Z<p>Ddrake: </p>
<hr />
<div>===Problem Description===<br />
Carbon fiber-reinforced composite (CFRC) materials are extensively used in the aerospace industry to enable significant weight savings due to their high in-plane specific strength and stiffness. However, this benefit is countered by their low out-of-plane properties, such as interlaminar strength, that make CFRC structures susceptible to delamination. To prevent delamination, through-the-thickness stitching has been shown experimentally alleviate the damage propagation due to impact in CFRCs. Material optimization of stitched composites is required to reduce delamination at a macroscale. Atomistic to macroscale structure-property relationships need to be established and quantified to reduce delamination behavior of stitched composites. This proposal presents a pathway to develop hierarchical multiscale modeling approach from all length scales to reduce delamination. <br />
[[Image:MS_Stitch_Slide.jpg|right|thumb|9000px|Investigation of Stitched Composites Undergoing Delamination Using a Multiscale Modeling Approach.]]<br />
<br />
===Macroscale===<br />
<br />
<br />
===Microscale===<br />
<br />
<br />
===Nanoscale===<br />
<br />
<br />
===Electronic Scale===<br />
<br />
<br />
===References===<br />
[1] Mouritz, A. P., et al. (1997). "A review of the effect of stitching on the in-plane mechanical<br />
properties of fibre-reinforced polymer composites." Composites Part A: Applied Science<br />
and Manufacturing 28(12): 979-991.<br />
<br />
[2] Nishimura, A., et al. (1986). “New fabric structures for composite.” Recent Adv. In Japan<br />
and the United States: 29-36<br />
<br />
[3] Tan, K. T., et al. (2010). "Effect of stitch density and stitch thread thickness on low-velocity<br />
impact damage of stitched composites." Composites Part A: Applied Science and<br />
Manufacturing 41(12): 1857-1868.<br />
<br />
[4] Aktaş, A., et al. (2014). "Impact and post impact (CAI) behavior of stitched woven–knit<br />
hybrid composites." Composite Structures 116: 243-253.<br />
<br />
[5] Tan, K. T., et al. (2013). "Effect of stitch density and stitch thread thickness on damage<br />
progression and failure characteristics of stitched composites under out-of-plane loading."<br />
Composites Science and Technology 74: 194-204.<br />
<br />
[6] Liotier, P.-J., et al. (2010). "Characterization of 3D morphology and microcracks in<br />
composites reinforced by multi-axial multi-ply stitched preforms." Composites Part A:<br />
Applied Science and Manufacturing 41(5): 653-662.<br />
<br />
[7] Carvelli, V. “Mutli-Scale Mechanical Numerical Analysis of Multi-Axial Composites.”<br />
16th International Conference on Composite Materials: 1-7.<br />
<br />
[8] Carvelli, V., et al. (2010). "Fatigue and post-fatigue tensile behaviour of non-crimp stitched<br />
and unstitched carbon/epoxy composites." Composites Science and Technology 70(15):<br />
2216-2224.<br />
<br />
[9] Bathgate, R. G., et al. (1997). "Effects of temperature on the creep behaviour of woven and<br />
stitched composites." Composite Structures 38(1–4): 435-445.<br />
<br />
[10] Pang, F., et al. (1997). "Creep response of woven-fibre composites and the effect of<br />
stitching." Composites Science and Technology 57(1): 91-98.<br />
<br />
[11] Tan, K. T., et al. (2010). "Experimental investigation of bridging law for single stitch fibre<br />
using Interlaminar tension test." Composite Structures 92(6): 1399-1409.<br />
<br />
[12] Horstemeyer, M. (2012). Integrated Computational Materials Engineering (ICME) For<br />
Metals. Chapter 5: 146-147.<br />
<br />
[13] Nouranian, S., et al. (2014). “An interatomic potential for saturated hydrocarbons based on<br />
the modified embedded-atom method.” Royal Society of Chemistry, 16: 6233.<br />
<br />
[14] Khalatur P.G. (2012). Molecular Dynamics Simulations in Polymer Science: Methods and<br />
Main Results. Polymer Science: A Comprehensive Review, 1: 417-460.<br />
<br />
[15] Changwoon, J. (2013). Interfacial shear strength of cured vinyl ester resin-graphite<br />
nanoplatelet from moleculr dynamic simulations.” Polymer 54: 3282-3289.<br />
<br />
[16] Changwoon, J. (2012). “Relative Reactivity Volume Criterian for Cross-Linking:<br />
Application to Vinyl Ester Resin Molecular Dynamic Simulations.” Macromolecules, 45:<br />
4876-4885.<br />
<br />
[17] Odegard, G. M., et al. “Prediction of Mechanical Properties of Polymers with Various<br />
Force Fields.” American Institute of Aeronautics and Astronautics: 1-12.<br />
<br />
<references/><br />
<br />
[[Category: Macroscale]]</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/A_proposal_to_Investigate_Stitched_Composites_Undergoing_Delamination_Using_Multiscale_Modeling_ApproachA proposal to Investigate Stitched Composites Undergoing Delamination Using Multiscale Modeling Approach2017-04-01T20:29:12Z<p>Ddrake: </p>
<hr />
<div>===Background===<br />
<br />
<br />
===Corrosion mechanisms===<br />
<br />
<br />
===Stress Corrosion Cracking===<br />
<br />
<br />
===Atomistics===<br />
<br />
<br />
===Electronics Principles===<br />
<br />
<br />
===References===<br />
[1] Mouritz, A. P., et al. (1997). "A review of the effect of stitching on the in-plane mechanical<br />
properties of fibre-reinforced polymer composites." Composites Part A: Applied Science<br />
and Manufacturing 28(12): 979-991.<br />
<br />
[2] Nishimura, A., et al. (1986). “New fabric structures for composite.” Recent Adv. In Japan<br />
and the United States: 29-36<br />
<br />
[3] Tan, K. T., et al. (2010). "Effect of stitch density and stitch thread thickness on low-velocity<br />
impact damage of stitched composites." Composites Part A: Applied Science and<br />
Manufacturing 41(12): 1857-1868.<br />
<br />
[4] Aktaş, A., et al. (2014). "Impact and post impact (CAI) behavior of stitched woven–knit<br />
hybrid composites." Composite Structures 116: 243-253.<br />
<br />
[5] Tan, K. T., et al. (2013). "Effect of stitch density and stitch thread thickness on damage<br />
progression and failure characteristics of stitched composites under out-of-plane loading."<br />
Composites Science and Technology 74: 194-204.<br />
<br />
[6] Liotier, P.-J., et al. (2010). "Characterization of 3D morphology and microcracks in<br />
composites reinforced by multi-axial multi-ply stitched preforms." Composites Part A:<br />
Applied Science and Manufacturing 41(5): 653-662.<br />
<br />
[7] Carvelli, V. “Mutli-Scale Mechanical Numerical Analysis of Multi-Axial Composites.”<br />
16th International Conference on Composite Materials: 1-7.<br />
<br />
[8] Carvelli, V., et al. (2010). "Fatigue and post-fatigue tensile behaviour of non-crimp stitched<br />
and unstitched carbon/epoxy composites." Composites Science and Technology 70(15):<br />
2216-2224.<br />
<br />
[9] Bathgate, R. G., et al. (1997). "Effects of temperature on the creep behaviour of woven and<br />
stitched composites." Composite Structures 38(1–4): 435-445.<br />
<br />
[10] Pang, F., et al. (1997). "Creep response of woven-fibre composites and the effect of<br />
stitching." Composites Science and Technology 57(1): 91-98.<br />
<br />
[11] Tan, K. T., et al. (2010). "Experimental investigation of bridging law for single stitch fibre<br />
using Interlaminar tension test." Composite Structures 92(6): 1399-1409.<br />
<br />
[12] Horstemeyer, M. (2012). Integrated Computational Materials Engineering (ICME) For<br />
Metals. Chapter 5: 146-147.<br />
<br />
[13] Nouranian, S., et al. (2014). “An interatomic potential for saturated hydrocarbons based on<br />
the modified embedded-atom method.” Royal Society of Chemistry, 16: 6233.<br />
<br />
[14] Khalatur P.G. (2012). Molecular Dynamics Simulations in Polymer Science: Methods and<br />
Main Results. Polymer Science: A Comprehensive Review, 1: 417-460.<br />
<br />
[15] Changwoon, J. (2013). Interfacial shear strength of cured vinyl ester resin-graphite<br />
nanoplatelet from moleculr dynamic simulations.” Polymer 54: 3282-3289.<br />
<br />
[16] Changwoon, J. (2012). “Relative Reactivity Volume Criterian for Cross-Linking:<br />
Application to Vinyl Ester Resin Molecular Dynamic Simulations.” Macromolecules, 45:<br />
4876-4885.<br />
<br />
[17] Odegard, G. M., et al. “Prediction of Mechanical Properties of Polymers with Various<br />
Force Fields.” American Institute of Aeronautics and Astronautics: 1-12.<br />
<br />
<references/><br />
<br />
[[Category: Macroscale]]</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/A_proposal_to_Investigate_Stitched_Composites_Undergoing_Delamination_Using_Multiscale_Modeling_ApproachA proposal to Investigate Stitched Composites Undergoing Delamination Using Multiscale Modeling Approach2017-04-01T20:26:27Z<p>Ddrake: Created page with "===Background=== ===Corrosion mechanisms=== ===Stress Corrosion Cracking=== ===Atomistics=== ===Electronics Principles=== ===References=== <references/> [[Catego..."</p>
<hr />
<div>===Background===<br />
<br />
<br />
===Corrosion mechanisms===<br />
<br />
<br />
===Stress Corrosion Cracking===<br />
<br />
<br />
===Atomistics===<br />
<br />
<br />
===Electronics Principles===<br />
<br />
<br />
===References===<br />
<references/><br />
[[Category: Macroscale]]</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/ICME_Student_Contributions_2017_-_MsStateICME Student Contributions 2017 - MsState2017-04-01T20:25:22Z<p>Ddrake: /* Student 1 */</p>
<hr />
<div>[[CME 8373 Student Contributions (Spring 2017)|< ICME 2017 Student Contributions]]<br />
<br />
=Student Contributions=<br />
<br />
===Student 1===<br />
Student Contribution 1<br />
<br />
* Added the following paper to the ICME website [[Creep characterization of vapor-grown carbon nanofiber/vinyl ester nanocomposites using a response surface methodology]]<br />
<br />
Student Contribution 2<br />
<br />
* Added “Modeling Uncertainty” page ([[Modeling Uncertainty]])<br />
<br />
Student Contribution 3<br />
<br />
* Added the following categories to [[Composite Overview]]: "[[Polymers]]".<br />
* Added the following categories to [[Animation]]: "[[Dislocation Dynamics]]".<br />
* Added the following categories to [[Cast Iron: Compacted Graphite Iron]]: "[[Crystal Plasticity]]" & [[Metals]].<br />
* Added the following categories to [[Ca.library.meam]]: "[[Electronic Scale]],", [[MPC]], [[MPCv2]], [[MPCv3]].<br />
<br />
Student Contribution 4<br />
<br />
Added Installation Video to [[LAMMPS]]<br />
* [[https://www.youtube.com/watch?v=UgmABjwrra0 Installation]]<br />
<br />
Student Contribution 5<br />
<br />
Added the following page to the ICME website: "[[A proposal to Investigate Stitched Composites Undergoing Delamination Using Multiscale Modeling Approach]]"<br />
<br />
===Student 2===<br />
===Student 3===<br />
===Student 4===<br />
===Student 5===<br />
===Student 6===<br />
===Student 7===<br />
<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br><br />
Added the following journal articles:<br />
* [[Structure–property quantification of corrosion pitting under immersion and salt-spray environments on an extruded AZ61 magnesium alloy]]<br />
* [[Comparison of corrosion pitting under immersion and salt-spray environments on an as-cast AE44 magnesium alloy]]<br />
<br />
Contribution 2<br />
<br><br />
Created the following page:<br />
* [[Corrosion]]<br />
<br />
Contribution 3<br />
<br><br />
1. Added the following categories to * [[Quantification of corrosion mechanisms on an extruded AZ31 magnesium alloy]]: "Metals", "Macroscale", and "Microscale".<br />
<br><br />
2. Added the following categories to * [[Corrosion Behaviour of Extruded AM30 Magnesium Alloy]]: "Metals", "Macroscale", and "Microscale".<br />
<br><br />
3. Added the following categories to * [[Corrosion Fatigue Behavior of Extruded AM30 Magnesium Alloy]]: "Metals", "Macroscale", "Microscale", and "Research Paper".<br />
<br />
<br />
Contribution 4<br />
<br><br />
Added Corrosion Video to [[Corrosion]] and [[Microscale]]<br />
* [[https://www.youtube.com/watch?v=meBLy8hF1JU]]<br />
Added Q Fog Tutorial<br />
* [[https://icme.hpc.msstate.edu/mediawiki/images/c/ca/Q_Fog_Tutorial.pdf]]<br />
<br />
Contribution 5<br />
<br><br />
* [[ICME Multiscale Modeling of Corrosion Damage]]<br />
<br />
===Student 8===<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br />
Added the following journal articles:<br />
* [[Fatigue crack growth in magnesium single crystals under cyclic loading: Molecular dynamics simulation]]<br />
Contribution 2 <br />
* Filled in [[Scanning Electron Microscopes]] page<br />
Contribution 3<br />
<br> <br />
* Added the following categories to * [[ICME Overview for Alligator Gar Fish Scale]]: "Biomaterials", "Microscale", and "Nanoscale".<br />
* Added the following categories to * [[ICME Overview of Polymer Solar Cell Active Layer]]: "Polymers" ,Macroscale", "Microscale", and "Nanoscale".<br />
<br />
Contribution 4<br />
* Added a tutorial video about SEM Sample Preparation to the [[Scanning Electron Microscopes]] page<br />
<br />
Contribution 5<br />
* [[ICME Multiscale Modeling of MEMs Pressure Sensors Operating at High Temperature]]<br />
<br />
===Student 9===<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br><br />
Added the following journal articles:<br />
<br />
Contribution 2<br />
<br><br />
* Added Overview, Specimen Preparation, and EDS sections to the [[Transmission Electron Microscopy]] page. Added Biomaterials, Metal, and Microscale categorization. Added "similar to [[Scanning Electron Microscopes|SEM]]" crosslink.<br />
<br />
Contribution 3<br />
<br><br />
* Added Nanoscale and VASP categorization to [[Code: VASP compilation]] page.<br />
* Added VASP categorization to [[Cleanvaspfiles]] page.<br />
<br />
Contribution 4<br />
<br><br />
* Added a tutorial video for ABAQUS about a technique for adding a uniform mesh to a cylinder and performing a mesh convergence study to the [[Structural Scale]] and [[code: ABAQUS FEM]] pages. <br />
<br />
Contribution 5<br />
<br><br />
* [[ICME Overview of predicting the Specific Strength of Aluminum-Lithium Alloys]]<br />
<br />
===Student 10===<br />
CLAIMED <br><br />
Contribution 1<br><br />
Contribution 2<br><br />
Contribution 3<br><br />
Contribution 4<br><br />
Contribution 5<br><br />
<br />
===Student 11===<br />
CLAIMED<br />
<br />
Contribution 1<br />
<br />
Contribution 2<br />
<br />
Contribution 3<br />
<br><br />
*Created Category: VCSG<br />
*Added VCSG categorization to [[Code: VCSG]]<br />
<br />
Contribution 4<br />
<br><br />
*Added a tutorial for CalculiX about Thermal Conductance through a Flat Plate to the [[Structural Scale]].<br />
<br />
Contribution 5<br />
<br />
===Student 12===<br />
===Student 13===<br />
===Student 14===<br />
===Student 15===<br />
===Student 16===<br />
===Student 17===<br />
===Student 18===<br />
===Student 19===<br />
===Student 20===<br />
===Student 21===<br />
===Student 22===<br />
===Student 23===<br />
===Student 24===<br />
===Student 25===<br />
===Student 26===<br />
===Student 27===<br />
===Student 28===<br />
===Student 29===<br />
===Student 30===<br />
===Student 31===<br />
===Student 32===<br />
===Student 33===<br />
claim<br />
Contribution 3<br />
<br><br />
1. Added the following categories to * [[Raptor PBS]]: "VASP", "LAMMPS", and "Electronic scale".<br />
<br />
===Student 34===<br />
===Student 35===</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/ICME_Student_Contributions_2017_-_MsStateICME Student Contributions 2017 - MsState2017-04-01T20:24:00Z<p>Ddrake: /* Student 1 */</p>
<hr />
<div>[[CME 8373 Student Contributions (Spring 2017)|< ICME 2017 Student Contributions]]<br />
<br />
=Student Contributions=<br />
<br />
===Student 1===<br />
CLAIMED<br />
<br />
Student Contribution 1<br />
<br />
* Added the following paper to the ICME website [[Creep characterization of vapor-grown carbon nanofiber/vinyl ester nanocomposites using a response surface methodology]]<br />
<br />
Student Contribution 2<br />
<br />
* Added “Modeling Uncertainty” page ([[Modeling Uncertainty]])<br />
<br />
Student Contribution 3<br />
<br />
* Added the following categories to [[Composite Overview]]: "[[Polymers]]".<br />
* Added the following categories to [[Animation]]: "[[Dislocation Dynamics]]".<br />
* Added the following categories to [[Cast Iron: Compacted Graphite Iron]]: "[[Crystal Plasticity]]" & [[Metals]].<br />
* Added the following categories to [[Ca.library.meam]]: "[[Electronic Scale]],", [[MPC]], [[MPCv2]], [[MPCv3]].<br />
<br />
Student Contribution 4<br />
<br />
Added Installation Video to [[LAMMPS]]<br />
* [[https://www.youtube.com/watch?v=UgmABjwrra0 Installation]]<br />
<br />
Student Contribution 5<br />
<br />
Added the following page to the ICME website: "[[A proposal to Investigate Stitched Composites Undergoing Delamination Using Multiscale Modeling Approach]]"<br />
<br />
===Student 2===<br />
===Student 3===<br />
===Student 4===<br />
===Student 5===<br />
===Student 6===<br />
===Student 7===<br />
<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br><br />
Added the following journal articles:<br />
* [[Structure–property quantification of corrosion pitting under immersion and salt-spray environments on an extruded AZ61 magnesium alloy]]<br />
* [[Comparison of corrosion pitting under immersion and salt-spray environments on an as-cast AE44 magnesium alloy]]<br />
<br />
Contribution 2<br />
<br><br />
Created the following page:<br />
* [[Corrosion]]<br />
<br />
Contribution 3<br />
<br><br />
1. Added the following categories to * [[Quantification of corrosion mechanisms on an extruded AZ31 magnesium alloy]]: "Metals", "Macroscale", and "Microscale".<br />
<br><br />
2. Added the following categories to * [[Corrosion Behaviour of Extruded AM30 Magnesium Alloy]]: "Metals", "Macroscale", and "Microscale".<br />
<br><br />
3. Added the following categories to * [[Corrosion Fatigue Behavior of Extruded AM30 Magnesium Alloy]]: "Metals", "Macroscale", "Microscale", and "Research Paper".<br />
<br />
<br />
Contribution 4<br />
<br><br />
Added Corrosion Video to [[Corrosion]] and [[Microscale]]<br />
* [[https://www.youtube.com/watch?v=meBLy8hF1JU]]<br />
Added Q Fog Tutorial<br />
* [[https://icme.hpc.msstate.edu/mediawiki/images/c/ca/Q_Fog_Tutorial.pdf]]<br />
<br />
Contribution 5<br />
<br><br />
* [[ICME Multiscale Modeling of Corrosion Damage]]<br />
<br />
===Student 8===<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br />
Added the following journal articles:<br />
* [[Fatigue crack growth in magnesium single crystals under cyclic loading: Molecular dynamics simulation]]<br />
Contribution 2 <br />
* Filled in [[Scanning Electron Microscopes]] page<br />
Contribution 3<br />
<br> <br />
* Added the following categories to * [[ICME Overview for Alligator Gar Fish Scale]]: "Biomaterials", "Microscale", and "Nanoscale".<br />
* Added the following categories to * [[ICME Overview of Polymer Solar Cell Active Layer]]: "Polymers" ,Macroscale", "Microscale", and "Nanoscale".<br />
<br />
Contribution 4<br />
* Added a tutorial video about SEM Sample Preparation to the [[Scanning Electron Microscopes]] page<br />
<br />
Contribution 5<br />
* [[ICME Multiscale Modeling of MEMs Pressure Sensors Operating at High Temperature]]<br />
<br />
===Student 9===<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br><br />
Added the following journal articles:<br />
<br />
Contribution 2<br />
<br><br />
* Added Overview, Specimen Preparation, and EDS sections to the [[Transmission Electron Microscopy]] page. Added Biomaterials, Metal, and Microscale categorization. Added "similar to [[Scanning Electron Microscopes|SEM]]" crosslink.<br />
<br />
Contribution 3<br />
<br><br />
* Added Nanoscale and VASP categorization to [[Code: VASP compilation]] page.<br />
* Added VASP categorization to [[Cleanvaspfiles]] page.<br />
<br />
Contribution 4<br />
<br><br />
* Added a tutorial video for ABAQUS about a technique for adding a uniform mesh to a cylinder and performing a mesh convergence study to the [[Structural Scale]] and [[code: ABAQUS FEM]] pages. <br />
<br />
Contribution 5<br />
<br><br />
* [[ICME Overview of predicting the Specific Strength of Aluminum-Lithium Alloys]]<br />
<br />
===Student 10===<br />
CLAIMED <br><br />
Contribution 1<br><br />
Contribution 2<br><br />
Contribution 3<br><br />
Contribution 4<br><br />
Contribution 5<br><br />
<br />
===Student 11===<br />
CLAIMED<br />
<br />
Contribution 1<br />
<br />
Contribution 2<br />
<br />
Contribution 3<br />
<br><br />
*Created Category: VCSG<br />
*Added VCSG categorization to [[Code: VCSG]]<br />
<br />
Contribution 4<br />
<br><br />
*Added a tutorial for CalculiX about Thermal Conductance through a Flat Plate to the [[Structural Scale]].<br />
<br />
Contribution 5<br />
<br />
===Student 12===<br />
===Student 13===<br />
===Student 14===<br />
===Student 15===<br />
===Student 16===<br />
===Student 17===<br />
===Student 18===<br />
===Student 19===<br />
===Student 20===<br />
===Student 21===<br />
===Student 22===<br />
===Student 23===<br />
===Student 24===<br />
===Student 25===<br />
===Student 26===<br />
===Student 27===<br />
===Student 28===<br />
===Student 29===<br />
===Student 30===<br />
===Student 31===<br />
===Student 32===<br />
===Student 33===<br />
claim<br />
Contribution 3<br />
<br><br />
1. Added the following categories to * [[Raptor PBS]]: "VASP", "LAMMPS", and "Electronic scale".<br />
<br />
===Student 34===<br />
===Student 35===</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/Composite_OverviewComposite Overview2017-04-01T20:23:42Z<p>Ddrake: </p>
<hr />
<div>==Composite Materials==<br />
Composites are materials formed by two dissimilar materials. For most practical applications, the materials consist of fibers and a matrix. The fibers, such as carbon fibers or fiberglass, are generally long, flexible, and strong. The matrix, usually a polymer based substance, provides the rigidity that hold the fibers in a shape and withstand compressive forces. These materials are combined to produce a material that is both rigid and strong. For ICME analysis, the composite material most be analyzed as two separate materials then combined using the fiber-matrix bridge. Each material can be analyzed through ICME methodology to determine the properties of the base materials, then additional analyses are performed on the fiber matrix bridge to determine the strength of the bond. This information, along with the desired volume fractions for each of the materials can be used to determine the properties of the composite material.<br />
<br />
==Composite Bridging==<br />
The bond between the fibers and the matrix and the volume fraction of each are the keys to determining the properties of the combined material. This bridge is different for each material. Most fiber based composites contain fibers that are coated with chemicals called sizings that either protect the fiber or promote bonding. For example, glass fibers are coated sizings that promote chemical bonding to matrix materials, while carbon fibers are coated with sizings that protect the fibers from each other prior to their use. The carbon fiber sizings can inhibit chemical bonding between the matrix and the fibers. In this case, other methods of preventing slip between the fiber and the matrix are needed. To prevent slip, carbon fibers are etched prior to application of the sizing to promote a frictional bond between the fibers and the matrix.<ref name="Strong">Strong, B. “Practical Aspects of Carbon Fiber Surface Treatment and Sizing.”</ref><br />
<br />
An understanding of the specific sizing and its role leads to a better understanding of the composite material. To properly analyze the bond, one needs to determine the length scale of the fiber-matrix bridge(s). For example, a chemical bond might require an atomistic analysis, but an etched bond might require a mesoscale analysis.<br />
<br />
==References==<br />
<references/><br />
<br />
[[Category:Polymers]]</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/ICME_Student_Contributions_2017_-_MsStateICME Student Contributions 2017 - MsState2017-04-01T20:22:30Z<p>Ddrake: /* Student 1 */</p>
<hr />
<div>[[CME 8373 Student Contributions (Spring 2017)|< ICME 2017 Student Contributions]]<br />
<br />
=Student Contributions=<br />
<br />
===Student 1===<br />
CLAIMED<br />
<br />
Student Contribution 1<br />
<br />
* Added the following paper to the ICME website [[Creep characterization of vapor-grown carbon nanofiber/vinyl ester nanocomposites using a response surface methodology]]<br />
<br />
Student Contribution 2<br />
<br />
* Added “Modeling Uncertainty” page ([[Modeling Uncertainty]])<br />
<br />
Student Contribution 3<br />
<br />
* Added the following categories to [[Composite Overview]]: "[[Polymers]]", "[[Polymeric Composite Overwrap Pressure Vessel (COPV) Multiscale Modeling]]".<br />
* Added the following categories to [[Animation]]: "[[Dislocation Dynamics]]".<br />
* Added the following categories to [[Cast Iron: Compacted Graphite Iron]]: "[[Crystal Plasticity]]" & [[Metals]].<br />
* Added the following categories to [[Ca.library.meam]]: "[[Electronic Scale]],", [[MPC]], [[MPCv2]], [[MPCv3]].<br />
<br />
Student Contribution 4<br />
<br />
Added Installation Video to [[LAMMPS]]<br />
* [[https://www.youtube.com/watch?v=UgmABjwrra0 Installation]]<br />
<br />
Student Contribution 5<br />
<br />
Added the following page to the ICME website: "[[A proposal to Investigate Stitched Composites Undergoing Delamination Using Multiscale Modeling Approach]]"<br />
<br />
===Student 2===<br />
===Student 3===<br />
===Student 4===<br />
===Student 5===<br />
===Student 6===<br />
===Student 7===<br />
<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br><br />
Added the following journal articles:<br />
* [[Structure–property quantification of corrosion pitting under immersion and salt-spray environments on an extruded AZ61 magnesium alloy]]<br />
* [[Comparison of corrosion pitting under immersion and salt-spray environments on an as-cast AE44 magnesium alloy]]<br />
<br />
Contribution 2<br />
<br><br />
Created the following page:<br />
* [[Corrosion]]<br />
<br />
Contribution 3<br />
<br><br />
1. Added the following categories to * [[Quantification of corrosion mechanisms on an extruded AZ31 magnesium alloy]]: "Metals", "Macroscale", and "Microscale".<br />
<br><br />
2. Added the following categories to * [[Corrosion Behaviour of Extruded AM30 Magnesium Alloy]]: "Metals", "Macroscale", and "Microscale".<br />
<br><br />
3. Added the following categories to * [[Corrosion Fatigue Behavior of Extruded AM30 Magnesium Alloy]]: "Metals", "Macroscale", "Microscale", and "Research Paper".<br />
<br />
<br />
Contribution 4<br />
<br><br />
Added Corrosion Video to [[Corrosion]] and [[Microscale]]<br />
* [[https://www.youtube.com/watch?v=meBLy8hF1JU]]<br />
Added Q Fog Tutorial<br />
* [[https://icme.hpc.msstate.edu/mediawiki/images/c/ca/Q_Fog_Tutorial.pdf]]<br />
<br />
Contribution 5<br />
<br><br />
* [[ICME Multiscale Modeling of Corrosion Damage]]<br />
<br />
===Student 8===<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br />
Added the following journal articles:<br />
* [[Fatigue crack growth in magnesium single crystals under cyclic loading: Molecular dynamics simulation]]<br />
Contribution 2 <br />
* Filled in [[Scanning Electron Microscopes]] page<br />
Contribution 3<br />
<br> <br />
* Added the following categories to * [[ICME Overview for Alligator Gar Fish Scale]]: "Biomaterials", "Microscale", and "Nanoscale".<br />
* Added the following categories to * [[ICME Overview of Polymer Solar Cell Active Layer]]: "Polymers" ,Macroscale", "Microscale", and "Nanoscale".<br />
<br />
Contribution 4<br />
* Added a tutorial video about SEM Sample Preparation to the [[Scanning Electron Microscopes]] page<br />
<br />
Contribution 5<br />
* [[ICME Multiscale Modeling of MEMs Pressure Sensors Operating at High Temperature]]<br />
<br />
===Student 9===<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br><br />
Added the following journal articles:<br />
<br />
Contribution 2<br />
<br><br />
* Added Overview, Specimen Preparation, and EDS sections to the [[Transmission Electron Microscopy]] page. Added Biomaterials, Metal, and Microscale categorization. Added "similar to [[Scanning Electron Microscopes|SEM]]" crosslink.<br />
<br />
Contribution 3<br />
<br><br />
* Added Nanoscale and VASP categorization to [[Code: VASP compilation]] page.<br />
* Added VASP categorization to [[Cleanvaspfiles]] page.<br />
<br />
Contribution 4<br />
<br><br />
* Added a tutorial video for ABAQUS about a technique for adding a uniform mesh to a cylinder and performing a mesh convergence study to the [[Structural Scale]] and [[code: ABAQUS FEM]] pages. <br />
<br />
Contribution 5<br />
<br><br />
* [[ICME Overview of predicting the Specific Strength of Aluminum-Lithium Alloys]]<br />
<br />
===Student 10===<br />
CLAIMED <br><br />
Contribution 1<br><br />
Contribution 2<br><br />
Contribution 3<br><br />
Contribution 4<br><br />
Contribution 5<br><br />
<br />
===Student 11===<br />
CLAIMED<br />
<br />
Contribution 1<br />
<br />
Contribution 2<br />
<br />
Contribution 3<br />
<br><br />
*Created Category: VCSG<br />
*Added VCSG categorization to [[Code: VCSG]]<br />
<br />
Contribution 4<br />
<br><br />
*Added a tutorial for CalculiX about Thermal Conductance through a Flat Plate to the [[Structural Scale]].<br />
<br />
Contribution 5<br />
<br />
===Student 12===<br />
===Student 13===<br />
===Student 14===<br />
===Student 15===<br />
===Student 16===<br />
===Student 17===<br />
===Student 18===<br />
===Student 19===<br />
===Student 20===<br />
===Student 21===<br />
===Student 22===<br />
===Student 23===<br />
===Student 24===<br />
===Student 25===<br />
===Student 26===<br />
===Student 27===<br />
===Student 28===<br />
===Student 29===<br />
===Student 30===<br />
===Student 31===<br />
===Student 32===<br />
===Student 33===<br />
claim<br />
Contribution 3<br />
<br><br />
1. Added the following categories to * [[Raptor PBS]]: "VASP", "LAMMPS", and "Electronic scale".<br />
<br />
===Student 34===<br />
===Student 35===</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/ICME_Student_Contributions_2017_-_MsStateICME Student Contributions 2017 - MsState2017-04-01T20:22:06Z<p>Ddrake: /* Student 1 */</p>
<hr />
<div>[[CME 8373 Student Contributions (Spring 2017)|< ICME 2017 Student Contributions]]<br />
<br />
=Student Contributions=<br />
<br />
===Student 1===<br />
CLAIMED<br />
<br />
Student Contribution 1<br />
<br />
* Added the following paper to the ICME website [[Creep characterization of vapor-grown carbon nanofiber/vinyl ester nanocomposites using a response surface methodology]]<br />
<br />
Student Contribution 2<br />
<br />
* Added “Modeling Uncertainty” page ([[Modeling Uncertainty]])<br />
<br />
Student Contribution 3<br />
<br />
* Added the following categories to [[Composite Overview]]: "[[Category:Polymers]]", "[[Polymeric Composite Overwrap Pressure Vessel (COPV) Multiscale Modeling]]".<br />
* Added the following categories to [[Animation]]: "[[Dislocation Dynamics]]".<br />
* Added the following categories to [[Cast Iron: Compacted Graphite Iron]]: "[[Crystal Plasticity]]" & [[Metals]].<br />
* Added the following categories to [[Ca.library.meam]]: "[[Electronic Scale]],", [[MPC]], [[MPCv2]], [[MPCv3]].<br />
<br />
Student Contribution 4<br />
<br />
Added Installation Video to [[LAMMPS]]<br />
* [[https://www.youtube.com/watch?v=UgmABjwrra0 Installation]]<br />
<br />
Student Contribution 5<br />
<br />
Added the following page to the ICME website: "[[A proposal to Investigate Stitched Composites Undergoing Delamination Using Multiscale Modeling Approach]]"<br />
<br />
===Student 2===<br />
===Student 3===<br />
===Student 4===<br />
===Student 5===<br />
===Student 6===<br />
===Student 7===<br />
<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br><br />
Added the following journal articles:<br />
* [[Structure–property quantification of corrosion pitting under immersion and salt-spray environments on an extruded AZ61 magnesium alloy]]<br />
* [[Comparison of corrosion pitting under immersion and salt-spray environments on an as-cast AE44 magnesium alloy]]<br />
<br />
Contribution 2<br />
<br><br />
Created the following page:<br />
* [[Corrosion]]<br />
<br />
Contribution 3<br />
<br><br />
1. Added the following categories to * [[Quantification of corrosion mechanisms on an extruded AZ31 magnesium alloy]]: "Metals", "Macroscale", and "Microscale".<br />
<br><br />
2. Added the following categories to * [[Corrosion Behaviour of Extruded AM30 Magnesium Alloy]]: "Metals", "Macroscale", and "Microscale".<br />
<br><br />
3. Added the following categories to * [[Corrosion Fatigue Behavior of Extruded AM30 Magnesium Alloy]]: "Metals", "Macroscale", "Microscale", and "Research Paper".<br />
<br />
<br />
Contribution 4<br />
<br><br />
Added Corrosion Video to [[Corrosion]] and [[Microscale]]<br />
* [[https://www.youtube.com/watch?v=meBLy8hF1JU]]<br />
Added Q Fog Tutorial<br />
* [[https://icme.hpc.msstate.edu/mediawiki/images/c/ca/Q_Fog_Tutorial.pdf]]<br />
<br />
Contribution 5<br />
<br><br />
* [[ICME Multiscale Modeling of Corrosion Damage]]<br />
<br />
===Student 8===<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br />
Added the following journal articles:<br />
* [[Fatigue crack growth in magnesium single crystals under cyclic loading: Molecular dynamics simulation]]<br />
Contribution 2 <br />
* Filled in [[Scanning Electron Microscopes]] page<br />
Contribution 3<br />
<br> <br />
* Added the following categories to * [[ICME Overview for Alligator Gar Fish Scale]]: "Biomaterials", "Microscale", and "Nanoscale".<br />
* Added the following categories to * [[ICME Overview of Polymer Solar Cell Active Layer]]: "Polymers" ,Macroscale", "Microscale", and "Nanoscale".<br />
<br />
Contribution 4<br />
* Added a tutorial video about SEM Sample Preparation to the [[Scanning Electron Microscopes]] page<br />
<br />
Contribution 5<br />
* [[ICME Multiscale Modeling of MEMs Pressure Sensors Operating at High Temperature]]<br />
<br />
===Student 9===<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br><br />
Added the following journal articles:<br />
<br />
Contribution 2<br />
<br><br />
* Added Overview, Specimen Preparation, and EDS sections to the [[Transmission Electron Microscopy]] page. Added Biomaterials, Metal, and Microscale categorization. Added "similar to [[Scanning Electron Microscopes|SEM]]" crosslink.<br />
<br />
Contribution 3<br />
<br><br />
* Added Nanoscale and VASP categorization to [[Code: VASP compilation]] page.<br />
* Added VASP categorization to [[Cleanvaspfiles]] page.<br />
<br />
Contribution 4<br />
<br><br />
* Added a tutorial video for ABAQUS about a technique for adding a uniform mesh to a cylinder and performing a mesh convergence study to the [[Structural Scale]] and [[code: ABAQUS FEM]] pages. <br />
<br />
Contribution 5<br />
<br><br />
* [[ICME Overview of predicting the Specific Strength of Aluminum-Lithium Alloys]]<br />
<br />
===Student 10===<br />
CLAIMED <br><br />
Contribution 1<br><br />
Contribution 2<br><br />
Contribution 3<br><br />
Contribution 4<br><br />
Contribution 5<br><br />
<br />
===Student 11===<br />
CLAIMED<br />
<br />
Contribution 1<br />
<br />
Contribution 2<br />
<br />
Contribution 3<br />
<br><br />
*Created Category: VCSG<br />
*Added VCSG categorization to [[Code: VCSG]]<br />
<br />
Contribution 4<br />
<br><br />
*Added a tutorial for CalculiX about Thermal Conductance through a Flat Plate to the [[Structural Scale]].<br />
<br />
Contribution 5<br />
<br />
===Student 12===<br />
===Student 13===<br />
===Student 14===<br />
===Student 15===<br />
===Student 16===<br />
===Student 17===<br />
===Student 18===<br />
===Student 19===<br />
===Student 20===<br />
===Student 21===<br />
===Student 22===<br />
===Student 23===<br />
===Student 24===<br />
===Student 25===<br />
===Student 26===<br />
===Student 27===<br />
===Student 28===<br />
===Student 29===<br />
===Student 30===<br />
===Student 31===<br />
===Student 32===<br />
===Student 33===<br />
claim<br />
Contribution 3<br />
<br><br />
1. Added the following categories to * [[Raptor PBS]]: "VASP", "LAMMPS", and "Electronic scale".<br />
<br />
===Student 34===<br />
===Student 35===</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/ICME_Student_Contributions_2017_-_MsStateICME Student Contributions 2017 - MsState2017-04-01T20:21:21Z<p>Ddrake: /* Student 1 */</p>
<hr />
<div>[[CME 8373 Student Contributions (Spring 2017)|< ICME 2017 Student Contributions]]<br />
<br />
=Student Contributions=<br />
<br />
===Student 1===<br />
CLAIMED<br />
<br />
Student Contribution 1<br />
<br />
* Added the following paper to the ICME website [[Creep characterization of vapor-grown carbon nanofiber/vinyl ester nanocomposites using a response surface methodology]]<br />
<br />
Student Contribution 2<br />
<br />
* Added “Modeling Uncertainty” page ([[Modeling Uncertainty]])<br />
<br />
Student Contribution 3<br />
<br />
* Added the following categories to [[Composite Overview]]: "[[Polymers]]", "[[Polymeric Composite Overwrap Pressure Vessel (COPV) Multiscale Modeling]]".<br />
* Added the following categories to [[Animation]]: "[[Dislocation Dynamics]]".<br />
* Added the following categories to [[Cast Iron: Compacted Graphite Iron]]: "[[Crystal Plasticity]]" & [[Metals]].<br />
* Added the following categories to [[Ca.library.meam]]: "[[Electronic Scale]],", [[MPC]], [[MPCv2]], [[MPCv3]].<br />
<br />
Student Contribution 4<br />
<br />
Added Installation Video to [[LAMMPS]]<br />
* [[https://www.youtube.com/watch?v=UgmABjwrra0 Installation]]<br />
<br />
Student Contribution 5<br />
<br />
Added the following page to the ICME website: "[[A proposal to Investigate Stitched Composites Undergoing Delamination Using Multiscale Modeling Approach]]"<br />
<br />
===Student 2===<br />
===Student 3===<br />
===Student 4===<br />
===Student 5===<br />
===Student 6===<br />
===Student 7===<br />
<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br><br />
Added the following journal articles:<br />
* [[Structure–property quantification of corrosion pitting under immersion and salt-spray environments on an extruded AZ61 magnesium alloy]]<br />
* [[Comparison of corrosion pitting under immersion and salt-spray environments on an as-cast AE44 magnesium alloy]]<br />
<br />
Contribution 2<br />
<br><br />
Created the following page:<br />
* [[Corrosion]]<br />
<br />
Contribution 3<br />
<br><br />
1. Added the following categories to * [[Quantification of corrosion mechanisms on an extruded AZ31 magnesium alloy]]: "Metals", "Macroscale", and "Microscale".<br />
<br><br />
2. Added the following categories to * [[Corrosion Behaviour of Extruded AM30 Magnesium Alloy]]: "Metals", "Macroscale", and "Microscale".<br />
<br><br />
3. Added the following categories to * [[Corrosion Fatigue Behavior of Extruded AM30 Magnesium Alloy]]: "Metals", "Macroscale", "Microscale", and "Research Paper".<br />
<br />
<br />
Contribution 4<br />
<br><br />
Added Corrosion Video to [[Corrosion]] and [[Microscale]]<br />
* [[https://www.youtube.com/watch?v=meBLy8hF1JU]]<br />
Added Q Fog Tutorial<br />
* [[https://icme.hpc.msstate.edu/mediawiki/images/c/ca/Q_Fog_Tutorial.pdf]]<br />
<br />
Contribution 5<br />
<br><br />
* [[ICME Multiscale Modeling of Corrosion Damage]]<br />
<br />
===Student 8===<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br />
Added the following journal articles:<br />
* [[Fatigue crack growth in magnesium single crystals under cyclic loading: Molecular dynamics simulation]]<br />
Contribution 2 <br />
* Filled in [[Scanning Electron Microscopes]] page<br />
Contribution 3<br />
<br> <br />
* Added the following categories to * [[ICME Overview for Alligator Gar Fish Scale]]: "Biomaterials", "Microscale", and "Nanoscale".<br />
* Added the following categories to * [[ICME Overview of Polymer Solar Cell Active Layer]]: "Polymers" ,Macroscale", "Microscale", and "Nanoscale".<br />
<br />
Contribution 4<br />
* Added a tutorial video about SEM Sample Preparation to the [[Scanning Electron Microscopes]] page<br />
<br />
Contribution 5<br />
* [[ICME Multiscale Modeling of MEMs Pressure Sensors Operating at High Temperature]]<br />
<br />
===Student 9===<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br><br />
Added the following journal articles:<br />
<br />
Contribution 2<br />
<br><br />
* Added Overview, Specimen Preparation, and EDS sections to the [[Transmission Electron Microscopy]] page. Added Biomaterials, Metal, and Microscale categorization. Added "similar to [[Scanning Electron Microscopes|SEM]]" crosslink.<br />
<br />
Contribution 3<br />
<br><br />
* Added Nanoscale and VASP categorization to [[Code: VASP compilation]] page.<br />
* Added VASP categorization to [[Cleanvaspfiles]] page.<br />
<br />
Contribution 4<br />
<br><br />
* Added a tutorial video for ABAQUS about a technique for adding a uniform mesh to a cylinder and performing a mesh convergence study to the [[Structural Scale]] and [[code: ABAQUS FEM]] pages. <br />
<br />
Contribution 5<br />
<br><br />
* [[ICME Overview of predicting the Specific Strength of Aluminum-Lithium Alloys]]<br />
<br />
===Student 10===<br />
CLAIMED <br><br />
Contribution 1<br><br />
Contribution 2<br><br />
Contribution 3<br><br />
Contribution 4<br><br />
Contribution 5<br><br />
<br />
===Student 11===<br />
CLAIMED<br />
<br />
Contribution 1<br />
<br />
Contribution 2<br />
<br />
Contribution 3<br />
<br><br />
*Created Category: VCSG<br />
*Added VCSG categorization to [[Code: VCSG]]<br />
<br />
Contribution 4<br />
<br><br />
*Added a tutorial for CalculiX about Thermal Conductance through a Flat Plate to the [[Structural Scale]].<br />
<br />
Contribution 5<br />
<br />
===Student 12===<br />
===Student 13===<br />
===Student 14===<br />
===Student 15===<br />
===Student 16===<br />
===Student 17===<br />
===Student 18===<br />
===Student 19===<br />
===Student 20===<br />
===Student 21===<br />
===Student 22===<br />
===Student 23===<br />
===Student 24===<br />
===Student 25===<br />
===Student 26===<br />
===Student 27===<br />
===Student 28===<br />
===Student 29===<br />
===Student 30===<br />
===Student 31===<br />
===Student 32===<br />
===Student 33===<br />
claim<br />
Contribution 3<br />
<br><br />
1. Added the following categories to * [[Raptor PBS]]: "VASP", "LAMMPS", and "Electronic scale".<br />
<br />
===Student 34===<br />
===Student 35===</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/Creep_characterization_of_vapor-grown_carbon_nanofiber/vinyl_ester_nanocomposites_using_a_response_surface_methodologyCreep characterization of vapor-grown carbon nanofiber/vinyl ester nanocomposites using a response surface methodology2017-04-01T20:17:10Z<p>Ddrake: </p>
<hr />
<div>{{template:Research_Paper<br />
<br />
|abstract= <br />
[[Image:CCD_Design.jpg|thumb|300px|right| Central Composite Design. ]]<br />
The effects of selected factors such as vapor-grown carbon nanofiber (VGCNF) weight fraction, applied stress, and temperature<br />
on the viscoelastic responses (creep strain and creep compliance) of VGCNF/vinyl ester (VE) nanocomposites were studied<br />
using a central composite design (CCD). Nanocomposite test articles were fabricated by high-shear mixing, casting, curing, and post curing in an open-face mold under a nitrogen environment. Short-term creep/creep recovery experiments were conducted at prescribed combinations of temperature (23.8–69.2C), applied stress (30.2–49.8 MPa), and VGCNF weight fraction (0.00–1.00 parts of VGCNF per hundred parts of resin) determined from the CCD. Response surface models (RSMs) for predicting these viscoelastic responses were developed using the least squares method and an analysis of variance procedure. The response surface estimates indicate that increasing the VGCNF weight fraction marginally increases the creep resistance of the VGCNF/VE nanocomposite at low temperatures (i.e., 23.8–46.5C). However, increasing the VGCNF weight fraction decreased the creep resistance of these nanocomposites for temperatures greater than 50C. The latter response may be due to a decrease in the nanofiber-to-matrix adhesion as the temperature is increased. The RSMs for creep strain and creep compliance revealed the interactions between the VGCNF weight fraction, stress, and temperature on the creep behavior of thermoset polymer nanocomposites. The design of experiments approach is useful in revealing interactions between selected factors, and thus can facilitate the development of more physics-based models.<br />
<br />
|authors= Daniel A. Drake, Rani W. Sullivan, Thomas E. Lacy, Charles U. Pittman, Jr., Hossein Toghiani, Janice L. DuBien, Sasan Nouranian, Jutima Simsiriwong<br />
<br />
Corresponding Author: [Sullivan@ae.msstate.edu Rani W. Sulivan, Ph.D.]<br />
<br />
|material model= Use a central composite design of experiments approach ([[Metamodeling]]) to determine the viscoelastic behavior of vinyl ester nanocomposites.<br />
<br />
|input deck= Simulations are not required as this paper is purely experimental.<br />
<br />
|animation=<br />
<br />
|images=<br />
{{paper_figure|image=Stages_Of_Creep.jpg|image caption=Figure 1. Stages of Creep.}}<br />
<br />
|methodology= To model the viscoelastic behavioral response of the nanocomposites, creep experiments were performed at varying stress levels and temperatures. The creep strain and compliance were modeled using a Prony series representation in conjunction with the Boltzmann superposition principle (BSP). Creep strains and creep compliances were selected at varying times and modeled using a central composite design of experiments approach. This design of experiments approach allowed for the development of response surface models of the creep compliance and creep strain. These are seen in the images below<br />
<br />
|results= <br />
<table width="100%" cellspacing="3" cellpadding="5"><br />
<tr><br />
<td colspan="2"> The creep strain and creep compliance as a function of the vapor-grown carbon nanofiber (VGCNF) weight fraction and temperature are shown below.<br />
</td><br />
</tr><br />
<tr><br />
<td align="center"><br />
<table><br />
<tr><br />
<td> [[Image:Creep_Strain_3D.jpg|thumb|500px| Creep Compliance as a Function of Temperature and VGCNF Weight Fraction.]]</td><br />
<td> [[Image:Creep_Compliance_3D.jpg|thumb|500px| Creep Strain as a Function of Temperature and VGCNF Weight Fraction.]]</td><br />
</tr><tr><br />
</tr><br />
</table><br />
</td><br />
<td valign="top"><br />
</td><br />
</tr><br />
</table><br />
<br />
<br />
<br />
<br />
|acknowledgement=Support from the Center for Advanced Vehicular Systems at Mississippi State University is gratefully acknowledged <br />
<br />
|references=<br />
<br />
D. Drake, R.W. Sullivan, H. Toghiani, S. Nouranian, T.E. Lacy, C. U. Pittman, Jr., J.L. DuBien, J. Simsiriwong. “Creep Compliance Characterization of Vapor-Grown Carbon Nanofiber/Vinyl Ester Nanocomposites Using a Central Composite Design of Experiments,” J. Appl. Polym. Sci., 132, 42162, doi: 10.1002/app.42162.<br />
<br />
<br />
<br />
}}<br />
<br />
<br />
[[Category: Research Paper]]<br />
[[Category: macroscale]]<br />
[[Category: Metamodeling]]</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/ICME_Student_Contributions_2017_-_MsStateICME Student Contributions 2017 - MsState2017-04-01T20:15:25Z<p>Ddrake: /* Student 1 */</p>
<hr />
<div>[[CME 8373 Student Contributions (Spring 2017)|< ICME 2017 Student Contributions]]<br />
<br />
=Student Contributions=<br />
<br />
===Student 1===<br />
CLAIMED<br />
<br />
Student Contribution 1<br />
<br />
* Added the following paper to the ICME website [[Creep characterization of vapor-grown carbon nanofiber/vinyl ester nanocomposites using a response surface methodology]]<br />
<br />
Student Contribution 2<br />
<br />
* Added “Modeling Uncertainty” page ([[Modeling Uncertainty]])<br />
<br />
Student Contribution 3<br />
<br />
* Added the following categories to [[Composite Overview]]: "[[Polymers]]", "[[Polymeric Composite Overwrap Pressure Vessel (COPV) Multiscale Modeling]]".<br />
* Added the following categories to [[Animation]]: "[[Dislocation Dynamics]]".<br />
* Added the following categories to [[Cast Iron: Compacted Graphite Iron]]: "[[Crystal Plasticity]]" & [[Metals]].<br />
* Added the following categories to [[Ca.library.meam]]: "[[Electronic Scale]],", [[MPC]], [[MPCv2]], [[MPCv3]].<br />
<br />
Student Contribution 4<br />
<br />
Added Installation Video to [[LAMMPS]]<br />
* [[https://www.youtube.com/watch?v=UgmABjwrra0 Installation]]<br />
<br />
Student Contribution 5<br />
<br />
===Student 2===<br />
===Student 3===<br />
===Student 4===<br />
===Student 5===<br />
===Student 6===<br />
===Student 7===<br />
<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br><br />
Added the following journal articles:<br />
* [[Structure–property quantification of corrosion pitting under immersion and salt-spray environments on an extruded AZ61 magnesium alloy]]<br />
* [[Comparison of corrosion pitting under immersion and salt-spray environments on an as-cast AE44 magnesium alloy]]<br />
<br />
Contribution 2<br />
<br><br />
Created the following page:<br />
* [[Corrosion]]<br />
<br />
Contribution 3<br />
<br><br />
1. Added the following categories to * [[Quantification of corrosion mechanisms on an extruded AZ31 magnesium alloy]]: "Metals", "Macroscale", and "Microscale".<br />
<br><br />
2. Added the following categories to * [[Corrosion Behaviour of Extruded AM30 Magnesium Alloy]]: "Metals", "Macroscale", and "Microscale".<br />
<br><br />
3. Added the following categories to * [[Corrosion Fatigue Behavior of Extruded AM30 Magnesium Alloy]]: "Metals", "Macroscale", "Microscale", and "Research Paper".<br />
<br />
<br />
Contribution 4<br />
<br><br />
Added Corrosion Video to [[Corrosion]] and [[Microscale]]<br />
* [[https://www.youtube.com/watch?v=meBLy8hF1JU]]<br />
Added Q Fog Tutorial<br />
* [[https://icme.hpc.msstate.edu/mediawiki/images/c/ca/Q_Fog_Tutorial.pdf]]<br />
<br />
Contribution 5<br />
<br><br />
* [[ICME Multiscale Modeling of Corrosion Damage]]<br />
<br />
===Student 8===<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br />
Added the following journal articles:<br />
* [[Fatigue crack growth in magnesium single crystals under cyclic loading: Molecular dynamics simulation]]<br />
Contribution 2 <br />
* Filled in [[Scanning Electron Microscopes]] page<br />
Contribution 3<br />
<br> <br />
* Added the following categories to * [[ICME Overview for Alligator Gar Fish Scale]]: "Biomaterials", "Microscale", and "Nanoscale".<br />
* Added the following categories to * [[ICME Overview of Polymer Solar Cell Active Layer]]: "Polymers" ,Macroscale", "Microscale", and "Nanoscale".<br />
<br />
Contribution 4<br />
* Added a tutorial video about SEM Sample Preparation to the [[Scanning Electron Microscopes]] page<br />
<br />
Contribution 5<br />
* [[ICME Multiscale Modeling of MEMs Pressure Sensors Operating at High Temperature]]<br />
<br />
===Student 9===<br />
CLAIMED<br />
<br><br />
Contribution 1<br />
<br><br />
Added the following journal articles:<br />
<br />
Contribution 2<br />
<br><br />
* Added Overview, Specimen Preparation, and EDS sections to the [[Transmission Electron Microscopy]] page. Added Biomaterials, Metal, and Microscale categorization. Added "similar to [[Scanning Electron Microscopes|SEM]]" crosslink.<br />
<br />
Contribution 3<br />
<br><br />
* Added Nanoscale and VASP categorization to [[Code: VASP compilation]] page.<br />
* Added VASP categorization to [[Cleanvaspfiles]] page.<br />
<br />
Contribution 4<br />
<br><br />
* Added a tutorial video for ABAQUS about a technique for adding a uniform mesh to a cylinder and performing a mesh convergence study to the [[Structural Scale]] and [[code: ABAQUS FEM]] pages. <br />
<br />
Contribution 5<br />
<br><br />
* [[ICME Overview of predicting the Specific Strength of Aluminum-Lithium Alloys]]<br />
<br />
===Student 10===<br />
CLAIMED <br><br />
Contribution 1<br><br />
Contribution 2<br><br />
Contribution 3<br><br />
Contribution 4<br><br />
Contribution 5<br><br />
<br />
===Student 11===<br />
CLAIMED<br />
<br />
Contribution 1<br />
<br />
Contribution 2<br />
<br />
Contribution 3<br />
<br><br />
*Created Category: VCSG<br />
*Added VCSG categorization to [[Code: VCSG]]<br />
<br />
Contribution 4<br />
<br><br />
*Added a tutorial for CalculiX about Thermal Conductance through a Flat Plate to the [[Structural Scale]].<br />
<br />
Contribution 5<br />
<br />
===Student 12===<br />
===Student 13===<br />
===Student 14===<br />
===Student 15===<br />
===Student 16===<br />
===Student 17===<br />
===Student 18===<br />
===Student 19===<br />
===Student 20===<br />
===Student 21===<br />
===Student 22===<br />
===Student 23===<br />
===Student 24===<br />
===Student 25===<br />
===Student 26===<br />
===Student 27===<br />
===Student 28===<br />
===Student 29===<br />
===Student 30===<br />
===Student 31===<br />
===Student 32===<br />
===Student 33===<br />
claim<br />
Contribution 3<br />
<br><br />
1. Added the following categories to * [[Raptor PBS]]: "VASP", "LAMMPS", and "Electronic scale".<br />
<br />
===Student 34===<br />
===Student 35===</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/Creep_characterization_of_vapor-grown_carbon_nanofiber/vinyl_ester_nanocomposites_using_a_response_surface_methodologyCreep characterization of vapor-grown carbon nanofiber/vinyl ester nanocomposites using a response surface methodology2017-04-01T20:12:52Z<p>Ddrake: </p>
<hr />
<div>{{template:Research_Paper<br />
<br />
|abstract= <br />
[[Image:CCD_Design.jpg|thumb|300px|right| Central Composite Design. ]]<br />
The effects of selected factors such as vapor-grown carbon nanofiber (VGCNF) weight fraction, applied stress, and temperature<br />
on the viscoelastic responses (creep strain and creep compliance) of VGCNF/vinyl ester (VE) nanocomposites were studied<br />
using a central composite design (CCD). Nanocomposite test articles were fabricated by high-shear mixing, casting, curing, and post curing in an open-face mold under a nitrogen environment. Short-term creep/creep recovery experiments were conducted at prescribed combinations of temperature (23.8–69.2C), applied stress (30.2–49.8 MPa), and VGCNF weight fraction (0.00–1.00 parts of VGCNF per hundred parts of resin) determined from the CCD. Response surface models (RSMs) for predicting these viscoelastic responses were developed using the least squares method and an analysis of variance procedure. The response surface estimates indicate that increasing the VGCNF weight fraction marginally increases the creep resistance of the VGCNF/VE nanocomposite at low temperatures (i.e., 23.8–46.5C). However, increasing the VGCNF weight fraction decreased the creep resistance of these nanocomposites for temperatures greater than 50C. The latter response may be due to a decrease in the nanofiber-to-matrix adhesion as the temperature is increased. The RSMs for creep strain and creep compliance revealed the interactions between the VGCNF weight fraction, stress, and temperature on the creep behavior of thermoset polymer nanocomposites. The design of experiments approach is useful in revealing interactions between selected factors, and thus can facilitate the development of more physics-based models.<br />
<br />
|authors= Daniel A. Drake, Rani W. Sullivan, Thomas E. Lacy, Charles U. Pittman, Jr., Hossein Toghiani, Janice L. DuBien, Sasan Nouranian, Jutima Simsiriwong<br />
<br />
Corresponding Author: [Sullivan@ae.msstate.edu Rani W. Sulivan, Ph.D.]<br />
<br />
|material model= Use a central composite design of experiments approach ([[Metamodeling]]) to determine the viscoelastic behavior of vinyl ester nanocomposites.<br />
<br />
|input deck= Simulations are not required as this paper is purely experimental.<br />
<br />
|animation=<br />
<br />
|images=<br />
{{paper_figure|image=Stages_Of_Creep.jpg|image caption=Figure 1. Stages of Creep.}}<br />
<br />
|methodology= To model the behavioral response of the nanocomposites, creep experiments were performed at varying stress levels and temperatures. The creep strain and compliance were modeled using a Prony series representation in conjunction with the Boltzmann superposition principle (BSP). Creep strains and creep compliances were selected at varying times and modeled using a central composite design of experiments approach. This design of experiments approach allowed for the development of response surface models of the creep compliance and creep strain. These are seen in the images below<br />
<br />
|results= <br />
<table width="100%" cellspacing="3" cellpadding="5"><br />
<tr><br />
<td colspan="2"> The creep strain and creep compliance as a function of the vapor-grown carbon nanofiber (VGCNF) weight fraction and temperature are shown below.<br />
</td><br />
</tr><br />
<tr><br />
<td align="center"><br />
<table><br />
<tr><br />
<td> [[Image:Creep_Strain_3D.jpg|thumb|500px| Creep Compliance as a Function of Temperature and VGCNF Weight Fraction.]]</td><br />
<td> [[Image:Creep_Compliance_3D.jpg|thumb|500px| Creep Strain as a Function of Temperature and VGCNF Weight Fraction.]]</td><br />
</tr><tr><br />
</tr><br />
</table><br />
</td><br />
<td valign="top"><br />
</td><br />
</tr><br />
</table><br />
<br />
<br />
<br />
<br />
|acknowledgement=Support from the Center for Advanced Vehicular Systems at Mississippi State University is gratefully acknowledged <br />
<br />
|references=<br />
<br />
D. Drake, R.W. Sullivan, H. Toghiani, S. Nouranian, T.E. Lacy, C. U. Pittman, Jr., J.L. DuBien, J. Simsiriwong. “Creep Compliance Characterization of Vapor-Grown Carbon Nanofiber/Vinyl Ester Nanocomposites Using a Central Composite Design of Experiments,” J. Appl. Polym. Sci., 132, 42162, doi: 10.1002/app.42162.<br />
<br />
<br />
<br />
}}<br />
<br />
<br />
[[Category: Research Paper]]<br />
[[Category: macroscale]]<br />
[[Category: Metamodeling]]</div>Ddrakehttps://icme.hpc.msstate.edu/mediawiki/index.php/Creep_characterization_of_vapor-grown_carbon_nanofiber/vinyl_ester_nanocomposites_using_a_response_surface_methodologyCreep characterization of vapor-grown carbon nanofiber/vinyl ester nanocomposites using a response surface methodology2017-04-01T20:12:05Z<p>Ddrake: </p>
<hr />
<div>{{template:Research_Paper<br />
<br />
|abstract= <br />
[[Image:CCD_Design.jpg|thumb|300px|right| Central Composite Design. ]]<br />
TThe effects of selected factors such as vapor-grown carbon nanofiber (VGCNF) weight fraction, applied stress, and temperature<br />
on the viscoelastic responses (creep strain and creep compliance) of VGCNF/vinyl ester (VE) nanocomposites were studied<br />
using a central composite design (CCD). Nanocomposite test articles were fabricated by high-shear mixing, casting, curing, and post curing in an open-face mold under a nitrogen environment. Short-term creep/creep recovery experiments were conducted at prescribed combinations of temperature (23.8–69.2C), applied stress (30.2–49.8 MPa), and VGCNF weight fraction (0.00–1.00 parts of VGCNF per hundred parts of resin) determined from the CCD. Response surface models (RSMs) for predicting these viscoelastic responses were developed using the least squares method and an analysis of variance procedure. The response surface estimates indicate that increasing the VGCNF weight fraction marginally increases the creep resistance of the VGCNF/VE nanocomposite at low temperatures (i.e., 23.8–46.5C). However, increasing the VGCNF weight fraction decreased the creep resistance of these nanocomposites for temperatures greater than 50C. The latter response may be due to a decrease in the nanofiber-to-matrix adhesion as the temperature is increased. The RSMs for creep strain and creep compliance revealed the interactions between the VGCNF weight fraction, stress, and temperature on the creep behavior of thermoset polymer nanocomposites. The design of experiments approach is useful in revealing interactions between selected factors, and thus can facilitate the development of more physics-based models.<br />
<br />
|authors= Daniel A. Drake, Rani W. Sullivan, Thomas E. Lacy, Charles U. Pittman, Jr., Hossein Toghiani, Janice L. DuBien, Sasan Nouranian, Jutima Simsiriwong<br />
<br />
Corresponding Author: [Sullivan@ae.msstate.edu Rani W. Sulivan, Ph.D.]<br />
<br />
|material model= Use a central composite design of experiments approach ([[Metamodeling]]) to determine the viscoelastic behavior of vinyl ester nanocomposites.<br />
<br />
|input deck= Simulations are not required as this paper is purely experimental.<br />
<br />
|animation=<br />
<br />
|images=<br />
{{paper_figure|image=Stages_Of_Creep.jpg|image caption=Figure 1. Stages of Creep.}}<br />
<br />
|methodology= To model the behavioral response of the nanocomposites, creep experiments were performed at varying stress levels and temperatures. The creep strain and compliance were modeled using a Prony series representation in conjunction with the Boltzmann superposition principle (BSP). Creep strains and creep compliances were selected at varying times and modeled using a central composite design of experiments approach. This design of experiments approach allowed for the development of response surface models of the creep compliance and creep strain. These are seen in the images below<br />
<br />
|results= <br />
<table width="100%" cellspacing="3" cellpadding="5"><br />
<tr><br />
<td colspan="2"> The creep strain and creep compliance as a function of the vapor-grown carbon nanofiber (VGCNF) weight fraction and temperature are shown below.<br />
</td><br />
</tr><br />
<tr><br />
<td align="center"><br />
<table><br />
<tr><br />
<td> [[Image:Creep_Strain_3D.jpg|thumb|500px| Creep Compliance as a Function of Temperature and VGCNF Weight Fraction.]]</td><br />
<td> [[Image:Creep_Compliance_3D.jpg|thumb|500px| Creep Strain as a Function of Temperature and VGCNF Weight Fraction.]]</td><br />
</tr><tr><br />
</tr><br />
</table><br />
</td><br />
<td valign="top"><br />
</td><br />
</tr><br />
</table><br />
<br />
<br />
<br />
<br />
|acknowledgement=Support from the Center for Advanced Vehicular Systems at Mississippi State University is gratefully acknowledged <br />
<br />
|references=<br />
<br />
D. Drake, R.W. Sullivan, H. Toghiani, S. Nouranian, T.E. Lacy, C. U. Pittman, Jr., J.L. DuBien, J. Simsiriwong. “Creep Compliance Characterization of Vapor-Grown Carbon Nanofiber/Vinyl Ester Nanocomposites Using a Central Composite Design of Experiments,” J. Appl. Polym. Sci., 132, 42162, doi: 10.1002/app.42162.<br />
<br />
<br />
<br />
}}<br />
<br />
<br />
[[Category: Research Paper]]<br />
[[Category: macroscale]]<br />
[[Category: Metamodeling]]</div>Ddrake