Effect of Stone-Wales Defect on Strength of Rippled Graphene using the Molecular Dynamics Mimulation

Graphene without defect exhibits extraordinary mechanical properties. However, it suffers from defects such as Stone-Wales of atoms. Also, graphene, generally completed by thermodynamic conditions, is not smooth and this can change its behavior. In this paper, the stretching stiffness of a rippled graphene containing Stone-Wales defect under uniaxial tensile load is studied. The corrugated surface of the rippled graphene is modeled by a random function using MATLAB software and the flat and rippled graphene sheets are compared. In order to investigate the effect of Stone-Wales defect on the strength of graphene, the molecular dynamics simulation is used and the AIREBO potential function is utilized to model the covalence bonding of the carbon atoms. Also, the Nose-Hoover thermostat is used to control the temperature of the system. The results show that the existence of Stone- Wales defect considerably reduces the strength of armchair graphene, but less effect on strength in zigzag direction. Also, rippling causes an increasing strength in zigzag direction.