| Literature DB >> 21540513 |
K V Zakharchenko1, Annalisa Fasolino, J H Los, M I Katsnelson.
Abstract
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.Entities:
Year: 2011 PMID: 21540513 DOI: 10.1088/0953-8984/23/20/202202
Source DB: PubMed Journal: J Phys Condens Matter ISSN: 0953-8984 Impact factor: 2.333