• 文献标题:   Mechanical properties of graphene: Effects of layer number, temperature and isotope
  • 文献类型:   Article
  • 作  者:   ZHANG YY, GU YT
  • 作者关键词:   graphene, layer number, isotope, temperature, molecular dynamics simulation
  • 出版物名称:   COMPUTATIONAL MATERIALS SCIENCE
  • ISSN:   0927-0256
  • 通讯作者地址:   Univ Western Sydney
  • 被引频次:   58
  • DOI:   10.1016/j.commatsci.2013.01.032
  • 出版年:   2013

▎ 摘  要

Herein the mechanical properties of graphene, including Young's modulus, fracture stress and fracture strain have been investigated by molecular dynamics simulations. The simulation results show that the mechanical properties of graphene are sensitive to the temperature changes but insensitive to the layer numbers in the multilayer graphene. Increasing temperature exerts adverse and significant effects on the mechanical properties of graphene. However, the adverse effect produced by the increasing layer number is marginal. On the other hand, isotope substitutions in graphene play a negligible role in modifying the mechanical properties of graphene. (c) 2013 Elsevier B.V. All rights reserved.