Molecular Dynamics Simulation of Deformation and Fracture of Graphene under Uniaxial Tension

摘要

The paper reports on molecular dynamics simulation of deformation and fracture of graphene under uniaxial tension. Dependences of Young's modulus, critical force and fracture strain on the strain rate, temperature and angle between the tension direction and the graphene lattice are derived. The effect of defects on fracture of graphene is studied.