Molecular Mechanics and Multiscale Modelling of Materials


Dr.-Ing. S. P. Patil

M.Sc. F. Ebrahem

M.Sc. C. Hernández

Vorlesung2 SWS
Übung2 SWS 
Art der Prüfung

To be arranged

Weitere InfosRWTH Aachen CAMPUS


Course content:

Introduction to multi-scale modelling

Molecular dynamics

  • Theoretical background of molecular dynamics
  • Force-probe molecular dynamics simulations
  • Compute mechanical properties at molecular level Phase field modelling (finite element modelling)
  • Theroretical background - Reproduce molecular mechanical properties
  • Validations

Multi-scale modelling

  • Scale bridging
  • Bottom-up approach
  • Applications, e.g., spider silk, nacre