Elastic Parameters of Graphene in General Approach of the Valence Force Field

Abstract

In order to assess the influence of non-bonded atomic interactions on the elastic properties of graphene the transition from fouratomic symmetric structural element of the lattice to tenatomic is made. This leads to the necessity take into account in the design scheme of an additional elements. The finite element model of a rectangular plate, measuring 8 × 9 hexagonal cells is tested. The model of graphene in the approximation of the valence force field containing the valence segment and angles is used as a basis. Additional bonds alternately in it are involved. Maximum change in Young's modulus at the involving of one additional bond is between 7 and 25 %. Total growth equal ~ 73 % of the module. Poisson's ratio is changed to 1–5 %, and one of the bonds decreases it. All new bonds increase the Poisson ratio of ~ 9 %. Angle elements provide an comparable contribution to elastic modules.

Keywords

• graphene
• valence force field
• young's modulus
• poisson's ratio