Effects of free edges and vacancy defects on the mechanical properties of graphene

Abstract

Defects are unavoidable during synthesizing and fabrication of graphene based nanoelecromechanical systems. This paper presents a comprehensive molecular dynamics simulation study on the mechanical properties of finite graphene with vacancy defects. We characterize the strength and stiffness of graphene using the concept of surface stress in three-dimensional crystals. Temperature and strain rate dependent atomistic model is also presented to evaluate the strength of defective graphene. Free edges have a significant impact on the stiffness; the strength, however, is less affected. The vacancies exceedingly degrade the strength and the stiffness of graphene. These findings provide a remarkable insight into the strength and the stiffness of defective graphene, which is critical in designing experimental and instrumental applications.