Influence of Temperature with its Geometric and Failure Morphology Defects on the Mechanical Properties of Graphene: Molecular Dynamics Simulation (MDs)

Abstract

This paper addressed that graphene is a regular monolayer of carbon atoms settled in a 2 D-hexagonal lattice; which is listed among the strongest material ever measured with strength exceeding more than hundred times of steel. However, the strength of graphene is critically influenced by temperature, geometric & vacancy defects (VD). Defects are at all believed to worsen the mechanical toughness and reduce the strength of graphene sheet. They are revealed that stiffness and strength are the key factors in determining solidity and life span of any technological devices. Molecular dynamics-based atomistic modeling was performed to predict and quantify the effect of non-bonded interactions on the failure morphology of vacancy affected sheets of graphene. The defective sheet of graphene containing vacancy defect was simulated in conjunction with the non-bonded interactions experienced due to the presence of a pristine sheet of graphene.