• 文献标题:   Practical Molecular Dynamic Simulation of Monolayer Graphene with Consideration of Structural Defects
  • 文献类型:   Article, Proceedings Paper
  • 作  者:   RANJBARTOREH AR, WANG GX
  • 作者关键词:   graphene, defect, tension, compression
  • 出版物名称:   JOURNAL OF NANOSCIENCE NANOTECHNOLOGY
  • ISSN:   1533-4880
  • 通讯作者地址:   Univ Technol Sydney
  • 被引频次:   6
  • DOI:   10.1166/jnn.2012.4639
  • 出版年:   2012

▎ 摘  要

Molecular dynamic simulation method has been employed to consider the mechanical properties of pristine and defeated armchair and zigzag monolayer graphene sheets under tension and compression. Effects of Stone Wales (SW), Cell deformed (CD) and cell vacancy (CV) defects on ultimate stress and strain of graphene sheets have been considered. Obtained results indicate that zigzag graphene sheet has higher elastic modulus and stiffness than armchair type. Three SW defects have the highest destructive effect on ultimate stress and strain of zigzag graphene sheet while CV defect reveals the highest reducing effect on those of armchair type.