(Dr. Stefan Sandfeld)
These lectures provide a broad overview of simulation methods operating on length scales from the atomistic to the continuum scale. Simulation methods introduced include Molecular Dynamics, equilibrium and kinetic Monte Carlo simulation, mesoscopic methods such as e.g. Dislocation Dynamics and the Phase Field method, and continuum-level modeling of materials behavior in Finite Element simulations. The introduction of methods operating on different scales is complemented by a discussion of multiscale approaches, i.e. the linking of models operating on different scales. For most of the tutorials ‘Python’ will be used as programming language, which is very similar to MATLAB and will be introduced in a short course during the first part of the tutorial.
This course is accompanied by practicals where the students will have the opportunity to numerically implement ‘one-scale’ models in a hands-on manner. This will be complemented by examples of information passing between different scales and the construction of simple multiscale models.
Prerequisites: basic knowledge of a programming language (e.g. MATLAB)
Additional links for the first part of MuSim I (Introduction to python and programming)
- Python
- Complete Package for windows: WinPython
- Nice start into python as a Wikibook
- Quick guide for an overview over important commands and the general syntax
- Learn Python in 10 minutes!
- The official Python tutorial
- NumPy/Scipy/MatplotLib
- NumPy Tutorial
- NumPy for MatLab users
- NumPy/SciPy Documentation (klick on reference guides there)
- MatPlotLib Documentation (especially the gallery is useful)