MOLECULAR DYNAMICS STUDY ON MECHANICAL PROPERTIES OF GRAPHENE SHEETS WITH A HOLE

The molecular dynamic simulation is used to study the fracture behavior of graphene sheets with a hole subjected to uniaxial tensile loading. In this simulation, the hole diameter of 0, 0.44, 0.88, and 1.84 nm are chosen to investigate the effect of the diameter of the hole on the mechanical properties of graphene sheets. The results show that when the diameter of the hole increases, the maximum stress and strain of graphene sheets decrease. The Poisson's ratio increases when the diameter of the hole increases. However, the Young's modulus decreases with increasing the hole diameter. Furthermore, when the ratio of hole diameter to width of the graphene sheets decreases, the stress concentration factor increases. This trend is consistent with the theoretical analysis. These results are useful for engineering applications of graphene materials.