Understanding the Mechanical and Viscoelastic Properties of Graphene Reinforced Polycarbonate Nanocomposites Using Coarse-Grained Molecular Dynamics Simulations.

Incorporating graphene nanosheets into a polymer matrix is a promising way to utilize the remarkable electronic, thermal, and mechanical properties of graphene. However, the underlying mechanisms near the graphene-polymer interface remain poorly understood. In this study, we employ coarse-grained molecular dynamics (MD) simulations to investigate the nanoscale mechanisms present in graphene-reinforced polycarbonate (GRPC) and the effect of those mechanisms on GRPC's mechanical properties.