A Molecular Dynamics Study on Wrinkles in Graphene with Simply Supported Boundary under In-Plane Shear

The formation and evolution mechanisms of wrinkling in a rectangular single layer graphene sheet (SLGS) with simply supported boundary subjected to in-plane shear displacements are investigated using molecular dynamics simulations. Through investigating the out-of-plane displacements of the key point atom, we clarify the wrinkling growth and propagation process. Our results show that the boundary condition plays important roles in the wrinkling deformation. And the dependence of wrinkling parameters on the applied shear displacements is captured. Based on the elasticity theory, the formation mechanism of graphene wrinkling is revealed from the viewpoint of elastic energy. The effects of aspect ratio of graphene, temperature, and loading velocity on graphene wrinkling parameters and patterns are also investigated.