Software Tools for Integrated Computational Materials Design


With in the course, an introduction into integrated material and process modelling will be given starting from density functional theory over microstructure simulation until simulation of mechanical properties of steels. Various models based on thermodynamical and thermomechanical approaches will be applied towards quantitative correlation of process, micro structure and properties. The course will give an overview on a representative selection of modelling approaches and software tools and it will introduce the application for steel alloy and production processes.

Various modelling approaches and software tools will be introduced and applied in small groups

  • Density Functional Theory
  • Molecular Dynamics
  • CalPhad Method
  • Kampmann Wagner Approach
  • Phase Field Method
  • Finite Element Method
  • Crystal Plasticity-FEM
  • Representative Volume Elements
  • Continuum Damage Mechanics
  • Metallurgy enriched FE
  • Material properties modelling
Semester SS 2018
Sprache Englisch
Credits 4