• 文献标题:   LOCAL CRYSTAL-TO-GLASS AND GLASS-TO-CRYSTAL TRANSFORMATIONS IN GRAPHENE UNDER TENSILE DEFORMATION
  • 文献类型:   Article
  • 作  者:   KOCHNEV AS, OVID KO IA
  • 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:   4
  • DOI:  
  • 出版年:   2015

▎ 摘  要

Deformation processes and structural transformations in graphene containing 5-8-5 defects - divacancies associated with "pentagon-octagon-pentagon" configurations of carbon atoms - are simulated by molecular dynamics method exploiting the adaptive intermolecular reactive bond order (AIREBO) potential. These computer simulations have shown that both crystal-to-glass and reverse glass-to-crystal transformations occur in a nanoscale region (at a pre-existent 5-8-5 defect) of graphene under tensile deformation at temperature of 2300K.