Buckling Analysis of Single-Layer Graphene Sheets Using Molecular Mechanics

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 pot...

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Published in:Frontiers in materials 2019-02, Vol.6
Main Authors: Genoese, Alessandra, Genoese, Andrea, Rizzi, Nicola L., Salerno, Ginevra
Format: Article
Language:English
Subjects:
arc-length strategy
DREIDING potential
graphene
molecular mechanics
out-of-plane buckling
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description 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.
doi_str_mv 10.3389/fmats.2019.00026
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subjects arc-length strategy
DREIDING potential
graphene
molecular mechanics
out-of-plane buckling
title Buckling Analysis of Single-Layer Graphene Sheets Using Molecular Mechanics
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