• 文献标题:   Melting of graphene: from two to one dimension
  • 文献类型:   Article
  • 作  者:   ZAKHARCHENKO KV, FASOLINO A, LOS JH, KATSNELSON MI
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF PHYSICSCONDENSED MATTER
  • ISSN:   0953-8984
  • 通讯作者地址:   Radboud Univ Nijmegen
  • 被引频次:   89
  • DOI:   10.1088/0953-8984/23/20/202202
  • 出版年:   2011

▎ 摘  要

The high temperature behaviour of graphene is studied by atomistic simulations based on an accurate interatomic potential for carbon. We find that clustering of Stone-Wales defects and formation of octagons are the first steps in the process of melting which proceeds via the formation of carbon chains. The molten state forms a three-dimensional network of entangled chains rather than a simple liquid. The melting temperature estimated from the two-dimensional Lindemann criterion and from extrapolation of our simulation for different heating rates is about 4900 K.