• 文献标题:   Buckling Analysis of Single-Layer Graphene Sheets Using Molecular Mechanics
  • 文献类型:   Article
  • 作  者:   GENOESE A, GENOESE A, RIZZI NL, SALERNO G
  • 作者关键词:   graphene, molecular mechanic, outofplane buckling, dreiding potential, arclength strategy
  • 出版物名称:   FRONTIERS IN MATERIALS
  • ISSN:   2296-8016
  • 通讯作者地址:   RomaTre Univ
  • 被引频次:   6
  • DOI:   10.3389/fmats.2019.00026
  • 出版年:   2019

▎ 摘  要

The paper presents a nonlinear buckling analysis of single-layer graphene sheets using a molecular mechanics model which accounts for binary, ternary, and quaternary interactions between the atoms. They are described using a geometrically exact setting and by the introduction of Morse and cosine potential functions, equipped with an appropriate set of parameters. We examine the critical and post-critical behaviors of graphene, under compression in the zigzag and in the armchair directions, and shear. Our findings show the suitability of standard thin-plates theory for the prediction of simple critical behaviors under various edge constraint conditions.