Introduction to simulation techniques that are relevant for material science. Simulation methods for continua (finite differences, finite elements), mesoscopic methods (cellular automata, mesoscopic Monte Carlo methods), microscopic methods (Molecular Dynamics, Monte-Carlo simulations, Density Functional Theory).
Learning objective
Learn techniques which are used in the computer-based study of the physics of materials; Obtain an overview of which simulation techniques are useful for which type of problems; develop the capability to transform problems in materials science into a form suitable for computer studies, including writing the computer program and analyzing the results.
Content
- Modeling and simulation techniques in materials science. - Simulation methods for continua (finite differences, basic idea of finite elements). - Mesoscopic methods (Cellular automata, phase-field models, mesoscopic Monte Carlo methods). - Microscopic methods (Molecular dynamics, Monte-Carlo simulation for many-particle systems, basic idea of density functional theory).
Literature
- R. Lesar, Introduction to Computational Materials Science (Cambridge University Press 2013). - D. Frenkel and B. Smit, Understanding Molecular Simulations (Academic Press 2002). - M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Clarendon Press, 1987). - D. Raabe, Computational Materials Science (Wiley-VCH 1998).
Performance assessment
Performance assessment information (valid until the course unit is held again)
Performance assessment as a semester course
In examination block for
Bachelor's Degree Programme in Materials Science 2017; Version 28.01.2020 (Examination Block 5) Bachelor's Programme in Materials Science 2012; Version 01.08.2016 (Examination Block 5) Bachelor's Programme in Materials Science 2015; Version 22.08.2017 (Examination Block 5)
The performance assessment is offered every session. Repetition possible without re-enrolling for the course unit.
Mode of examination
written 150 minutes
Written aids
keine
Digital exam
The exam takes place on devices provided by ETH Zurich.
If the course unit is part of an examination block, the credits are allocated for the successful completion of the whole block. This information can be updated until the beginning of the semester; information on the examination timetable is binding.
Performance assessment as a semester course