Numerical Simulation of the Effect of Crack on the Tensile Mechanical Properties of Graphene

Abstract

Molecular dynamics (MD) method with Tersoff bond-order interatomic potential function is applied to study (1) the impact of the crack-length on the tensile mechanical properties of graphene, and (2) how the crack affects the temperature correlation of graphene. The results show that the increase of crack length significantly reduces the tensile strength and tensile strain, and have an effect on Young's modulus. Meanwhile, the sensitivity of the tensile strength and tensile rate on temperature will be weakened by crack.