Molecular dynamics simulations of mechanical behavior in nanoscale ceramic–metallic multilayer composites

Abstract

The mechanical behavior of nanoscale ceramic–metallic (NbC/Nb) multilayer composites with different thickness ratios is investigated using molecular dynamics (MD) simulations. Based on the obtained stress–strain behavior and its dependence on temperature, strain rate, and loading path, the flow stress for the onset of plasticity is identified and modeled based on the nucleation theory, and the in-plane yield loci for different layer thicknesses are constructed. The results are used to establish the plastic flow potential for developing a continuum viscoplastic constitutive model for potential use in large-scale applications.