The aim of the project is to understand the mechanical properties of materials, in particular metals and alloys, by studying the atomic structure using computer simulations. The simulations are mostly based on the effective medium theory. The study focusses on crystal defects (in particular dislocations, cracks, grain boundaries and surfaces) and their mutual interactions. It includes both studies of idealized geometries such as a single crack near a grain boundary, and more realistic geometries such as nanocrystalline metals.
|Effective start/end date||01/05/1999 → …|