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Defect Location Effect on Tensile Behavior of Graphene
MA Jiangjiang, LI Kexun, ZHOU Bicheng, GU Jianyu, JIA Kun
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS
2018, 35 (4):
475-480.
DOI: 10.19596/j.cnki.1001-246x.7704
Molecular dynamic (MD) simulations were performed to simulate stretching process of graphene containing defect in which AIREBO potential is used to describe interactions of atoms. We investigated defect location effect on tensile behavior of graphene. It shows that defect location has different influence on fracture process of graphene. Distance to boundary and arrangement of defect have great effect on mechanical stability of graphene. It suggests that mechanical property of graphene can be improved through location control of defect.
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