Anisotropic and asymmetric deformation mechanisms of nanolaminated graphene/Cu composites

Abstract

We conducted molecular dynamics (MD) simulations of tension and compression along the direction and MD simulations of compression along the and directions on nanolaminated graphene/Cu (NGCu) composites to investigate the effects of the incorporated graphene and the deformation mechanisms related to the loading direction. The deformation behavior and the defect structures were found to be strongly dependent on the loading conditions. An asymmetric tension-compression deformation behavior was thus found in graphene/Cu nanolaminates under the loading, which was dominated by stacking faults and deformation twins formed by dislocation slide under tension and compression, respectively. High density and ordered nanotwins were formed at the graphene/Cu interfaces. Two different formation mechanisms of the twins were found under the compression, and the nucleated twins were easy to be thickened with the assistance of the graphene wrinkles. Multiple twins were formed under the compression by the dislocation cross-slip. This study provides a way to introduce graphene reinforcement and twin boundary to Cu matrix composites and design nanotwinned graphene/Cu composites with excellent mechanical performance. Keywords: Deformation Mechanisms, Molecular Dynamics, Graphene/Cu Composites, Interface, Twin