Molecular Dynamics Study of the Deformation Behavior and Strengthening Mechanisms of Cu/Graphene Composites under Nanoindentation

The mechanical performance of pure copper can be significantly strengthened by adding graphene without greatly sacrificing its electrical and thermal conductivity. However, it is difficult to observe the deformation behavior of Cu/graphene composites efficiently and optically using experiments due to the extremely small graphene size. Herein, Cu/graphene composites with different graphene positions and layers were built to investigate the effect of these factors on the mechanical performance of the composites and the deformation mechanisms using molecular dynamics simulations. The results showed that the maximum indentation force and hardness of the composites decreased significantly with an increase in the distance from graphene to the indentation surface. Graphene strengthened the mechanical properties of Cu/graphene composites by hindering the slip of dislocations. As the graphene layers increased, the strengthening effect became more pronounced. With more graphene layers, dislocations within the Cu matrix were required to overcome higher stress to be released towards the surface; thus, they had to store enough energy to allow more crystalline surfaces to slip, resulting in more dislocations being generated.