• 文献标题:   Direct comparison between experiments and computations at the atomic length scale: a case study of graphene
  • 文献类型:   Article
  • 作  者:   KYSAR JW
  • 作者关键词:   graphene, intrinsic strength, elastic propertie, ab initio method, multiscale simulation
  • 出版物名称:   SCIENTIFIC MODELING SIMULATIONS
  • ISSN:   1874-8554
  • 通讯作者地址:   Columbia Univ
  • 被引频次:   5
  • DOI:   10.1007/s10820-008-9105-1
  • 出版年:   2008

▎ 摘  要

This paper discusses a set of recent experimental results in which the mechanical properties of monolayer graphene molecules were determined. The results included the second-order elastic modulus which determines the linear elastic behavior and an estimate of the third-order elastic modulus which determines the non-linear elastic behavior. In addition, the distribution of the breaking force strongly suggested the graphene to be free of defects, so the measured breaking strength of the films represented the intrinsic breaking strength of the underlying carbon covalent bonds. The results of recent simulation efforts to predict the mechanical properties of graphene are discussed in light of the experiments. Finally, this paper contains a discussion of some of the extra challenges associated with experimental validation of multi-scale models.