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.
