The effects of temperature and vacancies on dynamics of crack in graphene sheet

Abstract

Crack propagation in a defected graphene sheet is investigated at finite temperature using molecular dynamics simulation. The effects of several initial cracks, temperature and different percentage of vacancies are considered. It is found that i) the critical load, which is a criteria for crack propagation, is larger when the load is applied on the zigzag direction, ii) the critical load decreases with increasing temperature, iii) a hole in the center of the sheet and the presence of randomly distributed vacancies reduce the critical load giving different crack propagation trajectory. Our new results would help to understand the crack propagation phenomena in defected graphene at finite temperature. © 2014 Author(s).