• 文献标题:   Nonlinear elastic behavior of graphene: Ab initio calculations to continuum description
  • 文献类型:   Article
  • 作  者:   WEI XD, FRAGNEAUD B, MARIANETTI CA, KYSAR JW
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   2469-9950 EI 2469-9969
  • 通讯作者地址:   Columbia Univ
  • 被引频次:   222
  • DOI:   10.1103/PhysRevB.80.205407
  • 出版年:   2009

▎ 摘  要

The nonlinear in-plane elastic properties of graphene are calculated using density-functional theory. A thermodynamically rigorous continuum description of the elastic response is formulated by expanding the elastic strain energy density in a Taylor series in strain truncated after the fifth-order term. Upon accounting for the symmetries of graphene, a total of fourteen nonzero independent elastic constants are determined by least-squares fit to the ab initio calculations. The nonlinear continuum description is valid for infinitesimal and finite strains under arbitrary in-plane tensile loading in circumstance for which the bending stiffness can be neglected. The continuum formulation is suitable for incorporation into the finite element method.