• 文献标题:   A REBO-Potential-Based Model for Graphene Bending by -Convergence
  • 文献类型:   Article
  • 作  者:   DAVINI C, FAVATA A, PARONI R
  • 作者关键词:  
  • 出版物名称:   ARCHIVE FOR RATIONAL MECHANICS ANALYSIS
  • ISSN:   0003-9527 EI 1432-0673
  • 通讯作者地址:   Via Parenzo 17
  • 被引频次:   1
  • DOI:   10.1007/s00205-018-1236-2
  • 出版年:   2018

▎ 摘  要

We present an atomistic to continuum model for a graphene sheet undergoing bending, within the small displacements approximation framework. Under the assumption that the atomic interactions are governed by a harmonic approximation of the 2nd-generation Brenner REBO (reactive empirical bond-order) potential, involving the first, second and third nearest neighbors of any given atom, we determine the variational limit of the energy functionals. It turns out that the -limit depends on the linearized mean and Gaussian curvatures. If some specific contributions in the atomic interaction are neglected, the variational limit is non-local.