Computer modelling and simulation in materials science

The paper presents a brief overview of different types of modelling and simulation along with the distinguishing features between the two. Spatial as well as temporal size scales with a special reference to multiscale modelling are explained with illustrations. The paper includes a discussion on numerical experiments and their validation based on the authors’ work on FEM simulation of crack-tip blunting during ductile fracture. Attention is drawn to the use of a 3P technique involving integrated simulation of deformation (property) at microstructural level, the process at macroscopic level and the performance at the product level.