Publication

Abstract : Since the discovery of graphene, it has immense popularity among scientists and researchers due to its superior mechanical and electrical properties. In the present study, the effects of the spatial distribution of nanopore defects on the mechanical properties of the single-layer graphene sheet (SLGS) are investigated. Based on Tersoff potential functions, molecular dynamics (MD) simulations are conducted to perform the uniaxial deformation of defected graphene. The nanopore defects are induced intentionally at various spatial locations on a pristine graphene sheet for studying the variation in its mechanical properties such as fracture strength, Young's modulus and failure strain. The results illustrate that the mechanical properties are predominantly dependent on the spatial locations of the defects. It is also observed that the mechanical properties are slightly higher in case of zigzag direction than armchair direction but it decreases with the presence of defects in both the cases. In the consequence, it is suggested to consider spatial locations of defects while fabricating nanodevices with graphene.