Frontiers in Materials (Feb 2019)

Buckling Analysis of Single-Layer Graphene Sheets Using Molecular Mechanics

  • Alessandra Genoese,
  • Andrea Genoese,
  • Nicola L. Rizzi,
  • Ginevra Salerno

DOI
https://doi.org/10.3389/fmats.2019.00026
Journal volume & issue
Vol. 6

Abstract

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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.

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