• 文献标题:   Graphene Nano-Ribbons Under Tension
  • 文献类型:   Article
  • 作  者:   XU ZP
  • 作者关键词:   graphene nanoribbon, elastic propertie, fracture
  • 出版物名称:   JOURNAL OF COMPUTATIONAL THEORETICAL NANOSCIENCE
  • ISSN:   1546-1955
  • 通讯作者地址:   MIT
  • 被引频次:   66
  • DOI:   10.1166/jctn.2009.1082
  • 出版年:   2009

▎ 摘  要

The mechanical response of graphene nano-ribbon under tensile loading has been investigated in this paper. Lattice symmetry dependence of the elastic response is found through molecular dynamics simulation, which fits prediction from Cauchy-Born rule very well. Concurrent brittle and ductile behaviors are observed during the failure process at elastic limit, which dominate the low and high temperature behavior respectively. The free edges in finite width ribbon help to activate bond-flip events and initialize ductile behavior, which can be explained by formation energy analysis for the Stone-Wales rotations.