AUTHOR=Genoese Alessandra , Genoese Andrea , Rizzi Nicola L. , Salerno Ginevra 

TITLE=Buckling Analysis of Single-Layer Graphene Sheets Using Molecular Mechanics

JOURNAL=Frontiers in Materials

VOLUME=6

YEAR=2019

URL=https://www.frontiersin.org/journals/materials/articles/10.3389/fmats.2019.00026

DOI=10.3389/fmats.2019.00026

ISSN=2296-8016

ABSTRACT=<p>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.</p>