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• Atomistic simulations of Bauschinger effects of metals with high angle and low angle grain boundaries
  H. Fang, M.F. Horstemeyer, M.I. Baskes, K. Solanki "Atomistic simulations of Bauschinger effects of metals with high angle and low angle grain bounda ... Gullett, M.F. Horstemeyer, D.J. Bammann, and M.I. Baskes, A comparison of atomistic and elastic continuum based shear stress distributions near an edge disloca
  7 KB (963 words) - 15:49, 3 May 2015
• A deformation gradient tensor and strain tensors for atomistic simulations
  atomistic simulation data. Local strain tensors such as the Almansi and Green simulations are computed directly from a discrete form of the deformation
  17 KB (2,555 words) - 20:29, 21 April 2017

Page text matches

• ICME Overview for Wrought Magnesium Alloys
  ...nd elastic parameters of the material. [[MD_Fatigue_Crack_Growth|Atomistic simulations]] such as those performed by Tang et al.<ref>T. Tang, S. Kim, M.F. Horsteme On the microscale, dislocation mobility from these atomistic simulations can then be used by Micro-3D calculations in order to understand the harden
  3 KB (500 words) - 03:19, 7 April 2017
• Code: GTA
  Inlcuded is a Grain Tracking Algorithm (GTA) for two different example simulations. This interface is somewhat specific to our interests regarding nanocrystal ...ucture of Crystalline Materials: A Post-Processing Algorithm for Atomistic Simulations JOM 65 417-428] <br>
  2 KB (360 words) - 16:02, 14 March 2016
• ICME 2015
  | || || '''''Section 4. Atomistic Methods''''' || || || |3/2 || 19 P.1 || Atomistic Plasticity P.1 || Lecture Notes 16; Book Chapter 5. || Mark Horstemeyer ||
  7 KB (808 words) - 20:25, 22 April 2015
• CME 8373 Student Contributions(Spring 2015)
  * Examples for running simulations 8. Cross Link - "atomistic scale" to "Category:Nanoscale"
  37 KB (5,026 words) - 18:30, 21 July 2015
• Ca
  ...al interaction potentials that can be developed efficiently, such that the atomistic approaches that use these potentials can handle systems with more than a mi
  6 KB (840 words) - 17:42, 8 April 2017
• Aluminum Dislocation Nucleation
  This example script shows how to run an atomistic simulation of dislocation nucleation for an aluminum single crystal oriente </ref><ref>Tschopp, M.A., Spearot, D.E., McDowell, D.L., "Atomistic simulations of homogeneous dislocation nucleation in single crystal copper," Modelling
  5 KB (761 words) - 18:22, 4 August 2014
• Grain boundary generation in Mg
  ...e properties of polycrystalline materials and this research enables future atomistic research investigating these properties. #Simulations run to determine required length converged
  16 KB (1,651 words) - 19:47, 15 April 2020
• Code: WARP
  | Atomistic Stress Simulator (WARP) [[Multiscale_Simulations| back to the Multiscale Simulations codes home]]
  5 KB (714 words) - 16:45, 28 June 2011
• Code: WARP - Description
  Warp 2001 - Atomistic Stress Simulator, Copyright 1998-2001 command "no neighbor" that enables crack propagation simulations.
  48 KB (7,079 words) - 21:00, 7 April 2019
• Uniaxial Tension
  This example script shows how to run an atomistic simulation of uniaxial tensile loading of an aluminum single crystal orient </ref><ref>Tschopp, M.A., Spearot, D.E., McDowell, D.L., "Atomistic simulations of homogeneous dislocation nucleation in single crystal copper," Modelling
  23 KB (2,475 words) - 19:19, 15 April 2020
• Uniaxial Compression
  ...ngle crystal oriented in the <100> direction. It also compares results of simulations with 4,000, 32,000, and 108,000 atoms. This example uses a parallel molecul </ref><ref>Tschopp, M.A., Spearot, D.E., McDowell, D.L., "Atomistic simulations of homogeneous dislocation nucleation in single crystal copper," Modelling
  28 KB (3,378 words) - 19:20, 15 April 2020
• Animations List
  ...name="crashworthiness">H. Fang, K. Solanki, M.F. Horstemeyer, “Numerical simulations of multiple vehicle crashes and multidisciplinary crashworthiness optimizat <ref name="Neon96">H. Fang, K. Solanki, M.F. Horstemeyer, “Numerical simulations of multiple vehicle crashes and multidisciplinary crashworthiness optimizat
  19 KB (2,784 words) - 20:09, 14 March 2016
• Deformation of Amorphous Polyethylene
  ...train hardening regions that were qualitatively in agreement with previous simulations and experimental results. The chain lengths, number of chains, strain rate "Molecular dynamics simulations of deformation mechanisms of amorphous polyethylene," Polymer, 51 (2010) 60
  11 KB (1,586 words) - 20:26, 23 October 2012
• ICME Cyberinfrastructure
  ...eratomic models for given applications and will define a fundamentally new atomistic simulation methodology that provides error estimates for computed propertie ...eratomic models for given applications and will define a fundamentally new atomistic simulation methodology that provides error estimates for computed propertie
  29 KB (4,041 words) - 18:39, 8 August 2014
• Modified embedded-atom method interatomic potentials for the Mg-Al alloy system
  ... simulations for investigating Mg-Al alloys was demonstrated by performing simulations on Mg and Al atoms in a variety of geometries. These MEAM potentials were u investigated using atomistic simulation techniques such as
  7 KB (1,066 words) - 14:11, 4 August 2014
• Amorphous Polymer Generator
  ...ard, D.K., Bouvard, J.L., Wang, P., Horstemeyer, M.F., "Molecular dynamics simulations of deformation mechanisms of amorphous polyethylene," Polymer, 51 (2010) 60 * [[MD_PE_deformation | Atomistic Deformation of Amorphous Polyethylene]]<ref name="Hos2010" /><ref name="Tsc
  4 KB (267 words) - 19:00, 23 March 2015
• FeCrHe
  ...OVITO. Image of the same grain boundary structure as visualized using the atomistic visualization tool OVITO.]] ...t is below. Notice that the ID starts at 169 - this is because I only ran simulations for those atoms that were within 15 Angstoms (15 x 10^-10 meters... really
  16 KB (2,577 words) - 03:35, 27 July 2012
• Localized Twin Bands in Sheet Bending of a Magnesium Alloy
  ...-realistic constitutive models for Mg sheet is critical for finite element simulations of formability. The mechanical properties of AZ31 Mg sheet metals have been ...></ref><ref name="ref23"></ref><ref name="ref24"></ref> in their atomistic simulations. For twinning, the magnitude of the theoretical elementary twinning dislo
  23 KB (3,535 words) - 17:05, 22 June 2012
• ICME Overview of the Chemo-mechanical Effects on Magnesium Alloys
  ...cts due to hydrogen embrittlement can be studied. Molecular dynamics (MD) simulations ran by M. Chandler et al.<ref> M. Chandler et. al, Hydrogen effects on nano
  6 KB (876 words) - 22:13, 28 February 2017
• ICME overview for Microstructure Evolution of Polycrystalline Materials.
  ...d therefore provide the most reliable interatomic potentials for atomistic simulations. The above parameters form the bridge between electronic scale to atomic s === Atomistic Scale===
  6 KB (750 words) - 21:53, 30 July 2014