• 文献标题:   The Gaussian stiffness of graphene deduced from a continuum model based on Molecular Dynamics potentials
  • 文献类型:   Article
  • 作  者:   DAVINI C, FAVATA A, PARONI R
  • 作者关键词:   graphene, continuum modeling, gaussian stiffnes
  • 出版物名称:   JOURNAL OF THE MECHANICS PHYSICS OF SOLIDS
  • ISSN:   0022-5096 EI 1873-4782
  • 通讯作者地址:   Sapienza Univ Rome
  • 被引频次:   9
  • DOI:   10.1016/j.jmps.2017.04.003
  • 出版年:   2017

▎ 摘  要

We consider a discrete model of a graphene sheet with atomic interactions governed by a harmonic approximation of the 2nd-generation Brenner potential that depends on bond lengths, bond angles, and two types of dihedral angles. A continuum limit is then deduced that fully describes the bending behavior. In particular, we deduce for the first time an analytical expression of the Gaussian stiffness, a scarcely investigated parameter ruling the rippling of graphene, for which contradictory values have been proposed in the literature. We disclose the atomic-scale sources of both bending and Gaussian stiffnesses and provide for them quantitative evaluations. (C) 2017 Elsevier Ltd. All rights reserved.