Atomistic Modeling of Materials
Course 0000002846 in WS 2016/7
General Data
| Course Type | lecture |
|---|---|
| Semester Weekly Hours | 2 SWS |
| Organisational Unit | Associate Professorship of Data-driven Materials Modeling (Prof. Koutsourelakis) |
| Lecturers | |
| Dates |
Tue, 13:30–15:00, MW 0608M Tue, 13:30–15:00, MW 1401 |
Further Information
Courses are together with exams the building blocks for modules. Please keep in mind that information on the contents, learning outcomes and, especially examination conditions are given on the module level only – see section "Assignment to Modules" above.
| additional remarks | The course provides an introduction to theoretical and computational aspects in the atomistic modeling and simulation of materials. It is intended for engineering students interested in statistical mechanics, in the constitutive behavior of materials from first principles and multiscale simulations. It includes a review of continuum models of material deformation and basic concepts of statistical mechanics such as phase functions, time averages, canonical distributions, and ensemble averages. Furthermore, we discuss connections between thermodynamical (continuum) and statistical mechanical (atomistic) descriptions. The most important component involves the theory and application of atomistic simulations to model, understand, and predict the properties of real materials. This includes the use of various potentials, errors and accuracy of quantitative predictions under different thermodynamic ensembles, Monte Carlo sampling and molecular dynamics simulations, and free energy computations. |
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| Links |
E-Learning course (e. g. Moodle) TUMonline entry |
Equivalent Courses (e. g. in other semesters)
| Semester | Title | Lecturers | Dates |
|---|---|---|---|
| WS 2015/6 | Atomistic Modeling of Materials |
Tue, 13:30–15:00, MW 0608M |
|
| WS 2014/5 | Atomistic Modeling of Materials | ||
| WS 2013/4 | Atomistic Modeling of Materials |