• 文献标题:   Disordering in Stone-Wales Graphene at High Temperatures
  • 文献类型:   Article
  • 作  者:   OPENOV LA, PODLIVAEV AI
  • 作者关键词:  
  • 出版物名称:   JETP LETTERS
  • ISSN:   0021-3640 EI 1090-6487
  • 通讯作者地址:   Natl Res Nucl Univ MEPhI
  • 被引频次:   4
  • DOI:   10.1134/S0021364019110110
  • 出版年:   2019

▎ 摘  要

Thermally activated structural disordering is numerically studied in Stone-Wales graphene, which is a recently predicted new allotropic modification of graphene. The elastic characteristics of this material are analyzed. The Young modulus (E= 857 GPa) and Poisson ratio (nu = 0.39) are determined. Defect formation processes under strong heating are studied by the real-time molecular dynamics method. It is demonstrated that melting begins with the formation of large windows in the monolayer and splitting of transversely oriented carbon chains from it. A criterion for the melting of two-dimensional systems is used to analyze the results. The upper estimate for the melting temperature is about 3800 K, which is much lower than the corresponding value for graphene.