Atomistically Informed and Dislocation-Based Viscoplasticity Model for Multilayer Composite Thin Films

Abstract

Nano-scale multilayer composite thin films are potential candidates for coating applications at harsh environments due to their promising mechanical and thermal properties. In this study, a viscoplasticity continuum model based on the plastic flow potential of metal/ceramic nanolayer composites, obtained from molecular dynamics (MD) simulations, is developed to build up a multiscale model bridges atomistic simulation with continuum models for the thin film composites. The model adopts a power law hardening considering confined layer slip (CLS) mechanism and accounts for the evolution of dislocation density based on the statistically stored dislocations and geometrically necessary dislocations. It is then implemented into a finite element code (ls-dyna) to investigate the deformation behavior of nanolayer composites at the macroscale. The deformation behavior of a high strength steel coated with Nb/NbC multilayer is also examined.