• 文献标题:   The Size- and Chirality-Dependent Elastic Properties of Graphene Nanofilms
  • 文献类型:   Article
  • 作  者:   WANG SP, GUO JG, JIANG Y
  • 作者关键词:   graphene, elastic propertie, sizedependent, chirality
  • 出版物名称:   JOURNAL OF COMPUTATIONAL THEORETICAL NANOSCIENCE
  • ISSN:   1546-1955 EI 1546-1963
  • 通讯作者地址:   Tianjin Univ
  • 被引频次:   11
  • DOI:   10.1166/jctn.2013.2687
  • 出版年:   2013

▎ 摘  要

Elastic properties of monolayer and multilayer graphene nanofilms are investigated in the paper based on structural mechanics approach. Via the linkage between the interatomic potential energy in molecular mechanics and the strain energy in classical structural mechanics, the models of space frame structures are developed to simulate the graphene crystals. By using finite element method, Young's moduli and Poisson's ratios of monolayer graphene nanofilms are calculated, and are proved to be size- and chirality-dependent. The values of Young's moduli and Poisson's ratios show an agreement with the experimental results in the literatures. In addition, Young's moduli and Poisson's ratios of multilayer graphene nanofilms are simulated to the cases with and without surface relaxation taken into consideration, respectively. The results of calculation show that Young's modulus of multilayer graphene nanofilms is size-dependent, and surface relaxation has important influence on it.