Abstract
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 behaviours 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 behaviours under various edge constraint conditions.
Highlights
Graphene is a two-dimensional hexagonal lattice of carbon atoms with unique physical and mechanical properties (Young et al, 2012), such as high room-temperature carrier mobility, high thermal conductivity, high tensile strength and stiffness and weak optical absorptivity
We propose a buckling analysis of single-layer graphene sheets through a molecular mechanics model which extends those used in our previous works (Genoese et al, 2017, 2018a,b, 2019) in order to account for binary, ternary and quaternary interactions between the atoms
A molecular mechanics model that takes into account binary, ternary and quaternary interactions has been implemented extending our previous works (Genoese et al, 2017, 2018a,b, 2019) in which only the in-plane behavior of graphene has been addressed
Summary
Graphene is a two-dimensional hexagonal lattice of carbon atoms with unique physical and mechanical properties (Young et al, 2012), such as high room-temperature carrier mobility, high thermal conductivity, high tensile strength and stiffness and weak optical absorptivity. The understanding and the control of the mechanical behaviors of graphene are crucial issues (Young et al, 2012; Akinwande et al, 2017) for many applications such as composites, membranes for water filtration, hydrogen storage and electronic devices In this regard, it is worth emphasizing that chemical-physical properties of any material at the nanoscale depend on the relative atomic positions. The importance for these applications has motivated continuously increasing research efforts to understand the details of the mechanical response of graphene
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