Classical molecular dynamics simulations were used to investigate the tensile behavior of graphene. The validity of the proposed molecular dynamics architecture was verified by comparing the simulation results with the available experimental results. By performing uniaxial tension simulations, a study was made of the effects of strain rate, chirality, nanoribbons width and number of atomic planes on the mechanical properties of graphene. A particularl investigation was made of the effects of doped nitrogen atoms and point vacancy concentrations on the Youngʼs modulus and tensile strength of graphene. By plotting the deformation process of graphene at various strain levels, the failure behavior was determined.

Nitrogen Doping and Vacancy Effects on the Mechanical Properties of Graphene: a Molecular Dynamics Study. B.Mortazavi, S.Ahzi, V.Toniazzo, Y.Rémond: Physics Letters A, 2012, 376[12–13], 1146–53