Effects of vacancy defect on the tensile behavior of graphene

作者：Xiaoyu Sun, Zuoguang Fu, Mingtan Xia, Yuanjie Xu · 发表于：Theoretical and Applied Mechanics Letters · 年份：2014 · DOI：10.1063/2.1405102 · 被引用次数：46 · 研究领域：Graphene research and applications、Carbon Nanotubes in Composites、Ion-surface interactions and analysis

Graphene is the strongest material but its performance is significantly weakened by vacancy defects. We use molecular dynamics simulations to investigate the tensile behavior of a graphene which contains a single vacancy defect. Our results suggest that because of the single vacancy, the fracture strength of graphene losses about 17.7%. The stress concentration around the vacancy defect leads to the destruction of nearby six-member rings structure, which forms the initial crack. The propagation direction of this crack in defective graphene is at an angle of 60° to the tensile direction initially, but then becomes perpendicular to the tensile direction.