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Computational Multi-Scale Modeling of Solids
Last Updated: 2026-06-01 11:33:47
Abstract
This course considers the computational modeling of solids, with a focus on transport, elasticity/plasticity, magnetism, and (out-of-)equilibrium phenomena. The first 8 weeks involve lectures and tutorials, with the remaining time devoted to group projects whose topic is derived from journal articles or student interest. Assessment is via a presentation and written report.
Objective
By the end of the course, the student is able to: - Apply well known numerical approaches to solve ordinary and partial differential equations, including explicit/implicit integration, finite difference and finite element methods - Understand the origin of physically motivated PDEs through notions of coarse-graining and continuity in the fields of elasticity, transport, magnetism and plasticity. - Understand contemporary simulation methods for use in the modelling of complex materials science problems - Analyze and evaluate a journal paper, be able to evaluate and extract the essential physical phenomenon, and through model building, create a simplified description of the studied phenomenon. - Create and manage a short-term project on the topic of simulation of hard-matter systems. - Create a conference-style presentation and report, summarizing your project based learning.
Content
The lecture and tutorial content will cover: - Coarse graining and the continuum - Numerical methods of ordinary and partial differential equations - The mathematics of the finite element method - Continuum Magnetism - Dislocation dynamics - Atomistic simulation (molecular dynamics, equilibrium Monte Carlo and Kinetic Monte Carlo) Computational and simulation frameworks: Some knowledge of python programming will be assumed. When needed the numpy, scipy and matplotlib python libraries will be introduced. All tutorials (except atomistic simulation) will be based on in-house python programs. Atomistic simulation will employ the open source LAMMPS platform. Data analysis will be in python and visualization via python and the OVITO visualization platform.
General Information
- Language
- English
- Levels
- MSC
- Frequency
- Yearly recurring
Examination
- Type
- graded semester performance
Course Components
| Type | Title | Time & Place | Hours |
|---|---|---|---|
| lecture with exercise | Computational Multi-Scale Modeling of Solids |
|
5 h weekly |