• 文献标题:   Numerical investigation of elastic mechanical properties of graphene structures
  • 文献类型:   Article
  • 作  者:   GEORGANTZINOS SK, GIANNOPOULOS GI, ANIFANTIS NK
  • 作者关键词:   graphene sheet, graphene nanoribbon, graphite flake, molecular mechanic, mechanical propertie
  • 出版物名称:   MATERIALS DESIGN
  • ISSN:   0264-1275 EI 1873-4197
  • 通讯作者地址:   Univ Patras
  • 被引频次:   91
  • DOI:   10.1016/j.matdes.2010.05.036
  • 出版年:   2010

▎ 摘  要

The computation of the elastic mechanical properties of graphene sheets, nanoribbons and graphite flakes using spring based finite element models is the aim of this paper. Interatomic bonded interactions as well as van der Waals forces between carbon atoms are simulated via the use of appropriate spring elements expressing corresponding potential energies provided by molecular theory. Each layer is idealized as a spring-like structure with carbon atoms represented by nodes while interatomic forces are simulated by translational and torsional springs with linear behavior. The non-bonded van der Waals interactions among atoms which are responsible for keeping the graphene layers together are simulated with the Lennard-Jones potential using appropriate spring elements. Numerical results concerning the Young's modulus, shear modulus and Poisson's ratio for graphene structures are derived in terms of their chilarity, width, length and number of layers. The numerical results from finite element simulations show good agreement with existing numerical values in the open literature. (C) 2010 Elsevier Ltd. All rights reserved.