摘要
Graphene is the strongest material but its performance is significantly weakened by vacancy defects. We use molecular dynamics simulations to inves- tigate 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.
Graphene is the strongest material but its performance is significantly weakened by vacancy defects. We use molecular dynamics simulations to inves- tigate 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.
基金
supported by the Open Research Fund Program(2042014kf0002)of Wuhan University
the National Natural Science Foundation of China(11372230)
the Open Research Fund Program(HBKLWJ-2014F02)of Key Laboratory of Hubei Province for Water Jet Theory&Technology
