• 文献标题:   On using many-particle interatomic potentials to compute elastic properties of graphene and diamond
  • 文献类型:   Article
  • 作  者:   BERINSKII IE, KRIVTSOV AM
  • 作者关键词:   graphene, diamond, nanoanalysi, elastic propertie, mechanics of crystal lattice, interaction potential
  • 出版物名称:   MECHANICS OF SOLIDS
  • ISSN:   0025-6544
  • 通讯作者地址:   St Petersburg State Polytech Univ
  • 被引频次:   19
  • DOI:   10.3103/S0025654410060063
  • 出版年:   2010

▎ 摘  要

The elastic properties of diatomic crystals are considered. An approach is proposed that permits calculating the elastic characteristics of crystals by using the interatomic interaction parameters specified as many-particle potentials, i.e., potentials that take into account the effect of the environment on the diatomic interaction. The many-particle interaction is given in the general form obtained in the framework of linear elastic deformation. It is shown that, by expanding in series in small deformation parameters, a group of nonlinear potentials frequently used to model covalent structures can be reduced to this general form. An example of graphene and diamond lattices is used to determine how adequately these potentials describe the elastic characteristics of crystals.