• 文献标题:   Mechanical Properties and Failure Mechanisms of Graphene under a Central Load
  • 文献类型:   Article
  • 作  者:   WANG SW, YANG BC, ZHANG SR, YUAN JY, SI YB, CHEN HY
  • 作者关键词:   failure mechanism, graphene, mechanical propertie, molecular dynamics simulation, symmetry
  • 出版物名称:   CHEMPHYSCHEM
  • ISSN:   1439-4235 EI 1439-7641
  • 通讯作者地址:   SUNY Buffalo
  • 被引频次:   33
  • DOI:   10.1002/cphc.201402258
  • 出版年:   2014

▎ 摘  要

By employing molecular dynamics simulations, the evolution of deformation of a monolayer graphene sheet under a central transverse loading are investigated. Dependence of mechanical responses on the symmetry (shape) of the loading domain, on the size of the graphene sheet, and on temperature, is determined. It is found that the symmetry of the loading domain plays a central role in fracture strength and strain. By increasing the size of the graphene sheet or increasing temperature, the tensile strength and fracture strain decrease. The results have demonstrated that the breaking force and breaking displacement are sensitive to both temperature and the symmetry of the loading domain. In addition, we find that the intrinsic strength of graphene under a central load is much smaller than that of graphene under a uniaxial load. By examining the deformation processes, two failure mechanisms are identified namely, brittle bond breaking and plastic relaxation. In the second mechanism, the Stone-Wales transformation occurs.