# ICME 2013

From EVOCD

< Mississippi State University

## Contents |

# Overview

This page includes course material designed for the ICME course held in Fall 2013

# Schedule

Date | Lesson | Topic | Information | Lecturer | Whats Due |
---|---|---|---|---|---|

8/19 | 1 | ICME History and Overview | Syllabus, Project | Mark Horstemeyer | Team Names |

8/21 | 2 | Multiscale Aspects of Materials | Lecture Notes 2 | Mark Horstemeyer | |

8/23 | 3 | Creating a New Material/Structure/Component | Lecture Notes 3; Book Chaper 9, 10 | Mark Horstemeyer | Literature review topic defined |

8/26 | 4 | Case Study: Control Arm Fracture | Lecture Notes 4; Book Chapter 7 | Mark Horstemeyer | |

8/28 | 5 | Case Study: Control Arm Fatigue | Lecture Notes 5; Book Chapter 8 | Mark Horstemeyer | |

9/4 | 6 | Validation and Verification | Lecture Notes 6; Book Chapter 1, 2 | Mark Horstemeyer | |

9/6 | 7 | Optimization | Lecture Notes 7; Book Chapter 1 | Mark Horstemeyer | |

8/30 | 8 | Constitutive Relations: Definitions | Lecture Notes 8; Book Chapter 1, 2 | Mark Horstemeyer | |

9/9 | 9 | ICME CI Overview | Nitin Sukhija | ||

9/11 | 10 | Student Presentations of Review Topic | Students Lecture Notes | ||

9/13 | 11 | Student Presentations of Review Topic | Students Lecture Notes | Lit Review ans Project Proposal Due | |

9/16 | 12 | Quantum Theory and Electronics Principles | Lecture Notes 12; Book Chapter 6 | W.B. Lawrimore II | |

9/18 | 13 | Density Functional Theory (DFT) | Lecture Notes 13; Book Chapter 6 | W.B. Lawrimore II | |

9/20 | 14 | Running DFT Example | Lecture Notes 14 | W.B. Lawrimore II | |

9/23 | 15 | LINUX/Cluster Overview | Location: HPC^{2} |
Joey Jones | |

9/25 | 16 | VASP Theory | Lecture Notes 16; Book Chapter 6 | W.B. Lawrimore II | |

9/27 | 17 | Running VASP Example | Lecture Notes 17 | W.B. Lawrimore II | |

9/30 | 18 | EAM/MEAM Potentials: Bridging from QM | Lecture Notes 18; Book Chapter 5. | Mike Baskes | |

10/1 | 19 | Atomistic Plasticity | Lecture Notes 19; Book Chapter 5. | Mike Baskes | |

10/2 | 20 | Atomistic Damage | Lecture Notes 20; Book Chapter 5. | Mike Baskes | |

10/3 | 21 | Atomistic Fatigue | Lecture Notes 21; Book Chapter 5. | Mike Baskes | |

10/4 | 22 | Running MD/MS/MC Examples | Lecture Notes 22. | Mike Baskes | |

10/4 | 23 | MEAM Fitting | Ric Carino | ||

10/11 | 24 | Dislocation Definitions | Lecture Notes 24; Book Chapter 4. | Firas Akasheh | Homework 1 Due |

10/14 | 25 | Dislocation Dynamics (DD) Theory: Bridging from MD | Lecture Notes 25; Book Chapter 4. | Firas Akasheh | |

10/16 | 26 | Running DD Examples | Lecture Notes 26. | Firas Akasheh | |

10/18 | 27 | Running DD Examples | Lecture Notes 27. | Firas Akasheh | |

10/21 | 28 | Crystal Plasticity (CP) Theory: Kinematics, Kinetics | Lecture Notes 28; Book Chapter 3 | Mark Horstemeyer | Homework 2 Due |

10/23 | 29 | Bridging from DD and Model Correlation | Lecture Notes 29; Book Chapter 3 | Mark Horstemeyer | |

10/25 | 30 | Running Rate Dependent Single Crystal CP | Lecture Notes 30 | Mark Horstemeyer | |

10/30 | 31 | Running Rate Dependent Polycrystalline CP | Lecture Notes 31 | Mark Horstemeyer | |

11/1 | 32 | Internal State Variable (ISV) Theory | Lecture Notes 32; Book Chapter 2 | Mark Horstemeyer | Homework 3 Due |

11/4 | 33 | ISV Plasticity Model | Lecture Notes 33; Book Chapter 2 | Mark Horstemeyer | |

11/6 | 34 | MSU Damage (DMG) Model Fitting and Running | Lecture Notes 34 | Mark Horstemeyer | |

11/8 | 35 | ISV Damage Model | Lecture Notes 35; Book Chapter 2 | Mark Horstemeyer | |

11/11 | 36 | Multistage Fatigue (MSF) Theory | Lecture Notes 36; Book Chapter 2 | Mark Horstemeyer | |

11/13 | 37 | MSF Fitting and Running Model | Lecture Notes 37 | Mark Horstemeyer | Homework 4 Due |

11/15 | 38 | Microstructural Image Analysis | Lecture Notes 38 | Mark Horstemeyer | |

11/18 | 39 | Input Files to ICME CI | Nitin Sukhija | ||

11/20 | 40 | Input Files to ICME CI | Nitin Sukhija | ||

11/22 | Project Presentations | Project Due | |||

11/25 | Project Presentations | ||||

11/27 | Project Presentations |

# All the required input files and executables not provided by the cyberinfrastructure should be acquired from the following location:

/cavs/general/ICME_2013/All calculations/simulations should be run on the the computational cluster RAPTOR.

# Homework Assignments

- Homework 1 - Electrons to Atoms
- Homework 2 - Atoms to Dislocations
- Homework 3 - Dislocations to Crystal Plasticity
- Homework 4 - Crystal Plasticity to Internal State Variable Modelling