303 Multiscale Analysis of Metal/Ceramics Interface Strength

Abstract

A limitation of empirical methodology on strength evaluation seems highlighted in problems of metal/ceramics interface fracture. This study is a trial to remove the limitation by means of computational science based on the atomistic simulation. A sort of multiscale simulation is successfully organized starting from ab initio to determine interatomic potentials for interface and concluding at quasicontinuum simulation to extend atomistic region. A simulation-based strength evaluation is proposed through numerical experiments related with fracture originated by interface crack. Inelastic phenomena associated with fracture are described in terms of their contribution to total potential energy.