• 文献标题:   Effect of defects on fracture strength of graphene sheets
  • 文献类型:   Article
  • 作  者:   WANG MC, YAN C, MA L, HU N, CHEN MW
  • 作者关键词:   graphene, defect, fracture strength, molecular dynamics simulation
  • 出版物名称:   COMPUTATIONAL MATERIALS SCIENCE
  • ISSN:   0927-0256 EI 1879-0801
  • 通讯作者地址:   Queensland Univ Technol
  • 被引频次:   130
  • DOI:   10.1016/j.commatsci.2011.10.032
  • 出版年:   2012

▎ 摘  要

With a hexagonal monolayer network of carbon atoms, graphene has demonstrated exceptional electrical and mechanical properties. In this work, the fracture of graphene sheets with Stone-Wales type defects and vacancies were investigated using molecular dynamics simulations at different temperatures. The initiation of defects via bond rotation was also investigated. The results indicate that the defects and vacancies can cause significant strength loss in graphene. The fracture strength of graphene is also affected by temperature and loading directions. The simulation results were compared with the prediction from the quantized fracture mechanics. (C) 2011 Elsevier By. All rights reserved.