Molecular dynamics simulation of shear deformation of multi-layer graphene sheets with Tersoff potential

Abstract

The failure process of multi-layer graphene sheets with AB stacking order under shear deformation is simulated using molecular dynamics method with Tersoff potential. Shear stress-strain relationships and shear failure modes of zigzag and armchair graphene sheets are obtained, while the effect of the number of graphene layers on the shear properties of zigzag and armchair graphene sheets is investigated. The results indicate that the shear modulus of graphene sheets is inclined to diverge with the increase of the number of graphene layers. Moreover, the ultimate stress and shear failure strain of zigzag and armchair graphene sheets are reduced gradually with the increase of the number of graphene layers.