Effect of Stone-Thrower-Walls Defect on Mechanical Properties of Bi-layer Graphene - A Molecular Dynamics Study

Abstract

Abstract This paper mainly focusing on the effects of topological defects like Stone-Thrower-Wales (STW) defect on the mechanical properties of bilayer graphene. The effect of STW defects on crack propagation mechanism were analyzed using Molecular Dynamics (MD) simulation. The results obtained are plotted to visualize the failure characteristics and the maximum stress that the material can withstand before undergoing fracture. These data are then validated with literature and experimentally obtained data.