• 文献标题:   TENSILE STRENGTH OF GRAPHENE CONTAINING 5-8-5 DEFECTS
  • 文献类型:   Article
  • 作  者:   KOCHNEV AS, OVID KO IA, SEMENOV BN
  • 作者关键词:  
  • 出版物名称:   REVIEWS ON ADVANCED MATERIALS SCIENCE
  • ISSN:   1606-5131
  • 通讯作者地址:   St Petersburg State Univ
  • 被引频次:   16
  • DOI:  
  • 出版年:   2014

▎ 摘  要

Classical molecular dynamics (MD) with the adaptive intermolecular reactive bond order (AIREBO) potential is used to examine the effect of 5-8-5 defects (divacancies associated with "pentagon-octagon-pentagon" configurations of carbon atoms) on tensile strength of graphene sheets containing such defects. These computer simulations have shown multistage character of fracture processes occurring in graphene sheets containing 5-8-5 defects. In particular, the final stage of fracture is realized through formation of carbon monatomic chains that join separate parts of graphene sheets under mechanical load. Also, it is revealed that the tensile strength significantly degrades (by tens of percent) due to the presence of 5-8-5 defects in graphene.