• 文献标题:   Molecular dynamics simulation of compression of single-layer graphene
  • 文献类型:   Article
  • 作  者:   GALASHEV AE, DUBOVIK SY
  • 作者关键词:  
  • 出版物名称:   PHYSICS OF THE SOLID STATE
  • ISSN:   1063-7834 EI 1090-6460
  • 通讯作者地址:   Russian Acad Sci
  • 被引频次:   4
  • DOI:   10.1134/S1063783413090102
  • 出版年:   2013

▎ 摘  要

The compression of a single-layer graphene sheet in the "zigzag" and "armchair" directions has been investigated using the molecular dynamics method. The distributions of the xy and yx stress components are calculated for atomic chains forming the graphene sheet. A graphene sheet stands significant compressive stresses in the "zigzag" direction and retains its integrity even at a strain of similar to 0.35. At the same time, the stresses which accompany the compressive deformation of single-layer graphene in the "armchair" direction are more than an order in magnitude lower than corresponding characteristics for the "zigzag" direction. A compressive strain of similar to 0.35 in the "armchair" direction fractures the graphene sheet into two parts.