Syllabus

Introduction – materials deformation and fracture phenomena – strength of materials: flaws, defects, and a perfect material, brittle vs ductile material behavior – the need for atomistic simulations – basic atomistic modeling – classical molecular dynamics – interatomic potential, numerical implementation – visualisation – atomistic elasticity – the virial stress and strain – multiscale modeling and simulation methods – deformation and dynamical failure of brittle and ductile materials – applications.