ME EN 556

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Materials Modeling: Methods in Atomistic, Mesoscale, and Continuum Simulations

Mechanical Engineering Ira A. Fulton College of Engineering

Course Description

Theory and application of various computer simulations to model, understand, and predict the properties of real materials. Specific topics include: first-principles atomistic models, empirical potential atomistic models, mesoscale models, and continuum finite element analysis.

When Taught

Winter Even Years

Min

3

Fixed

3

Fixed

2.5

Fixed

0.5

Recommended

CHEM 467

Title

Diverse Modeling Techniques

Learning Outcome

1. Gain an understanding of the different materials modeling techniques as well as an appreciation for their strengths, weaknesses and limitations.

Title

First principles Techniques

Learning Outcome

4. Gain an understanding of the quantum mechanical nature of atomic interactions.

Title

Atomistic Techniques

Learning Outcome

5. Develop the equations and code to simulate atomistic interactions, and run commercial scale simulations.

Title

Mesoscale Techniques

Learning Outcome

6. Simulate intermediate scale phenomena using an appropriate mesoscale model.

Title

Physical Phenomena

Learning Outcome

2. Describe the various physical phenomena governing material behavior at different length scales, either in terms of continuum, thermodynamic descriptions or discrete particles and their interactions.

Title

Continuum Techniques

Learning Outcome

3. Use FEA techniques to model continuum phenomena – and develop a system of equations for their evolution.