Investigation of the mechanical properties of Boron-doped graphene by molecular dynamics simulation

in this paper, we aimed to examine mechanical properties of one-layer Boron-doped graphene sheet compared to defect-free graphene, using the molecular dynamics (MD) simulations. We observed that the fracture stress, failure strain and Young’s modulus of Boron-doped graphene are decreased by increasing the concentration of boron atoms. As a result, failure behaviour of graphene changes form ductile to brittle.

کلیدواژه ها:

mechanical properties ، molecular dynamics simulations ، graphene ، Boron-doped graphene