How graphene flexes and stretches under concomitant bending couples and tractions

DOI10.1007/S11012-016-0503-2zbMATH Open1469.74008arXiv1604.04694OpenAlexW2963577370MaRDI QIDQ2398865FDOQ2398865

Authors: Antonino Favata, Andrea Micheletti, Paolo Podio-Guidugli, Nicola Pugno 

Publication date: 21 August 2017

Published in: Meccanica (Search for Journal in Brave)

Abstract: We propose a geometrically and physically nonlinear discrete mechanical model of graphene that assigns an energetic cost to changes in bond lengths, bond angles, and dihedral angles. We formulate a variational equilibrium problem for a rectangular graphene sheet with assigned balanced forces and couples uniformly distributed over opposite side pairs. We show that the resulting combination of stretching and bending makes achiral graphene easier to bend and harder (easier) to stretch for small (large) traction loads. Our general developments hold for a wide class of REBO potentials; we illustrate them in detail by numerical calculations performed in the case of a widely used 2nd-generation Brenner potential.

Full work available at URL: https://arxiv.org/abs/1604.04694

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zbMATH Keywords

softeningbending stiffnesshardeningstretching stiffness

Mathematics Subject Classification ID

Molecular, statistical, and kinetic theories in solid mechanics (74A25) Micromechanical theories (74A60)

Cites Work

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Cited In (11)

• Mechanical properties of graphene papers
• A REBO-potential-based model for graphene bending by \(\Gamma\)-convergence
• Strength of graphene in biaxial tension
• Graphene ground states
• Analysis of rippling in incommensurate one-dimensional coupled chains
• Thermoelastic nature of one-dimensional film of graphene
• Curvature-dependent surface energy for free-standing monolayer graphene
• Molecular statical calculation of graphene sheet buckling
• On configurational weak phase transitions in graphene
• Elastic properties and constitutive behaviour of graphene at finite temperature and large deformation
• Structure dependent elastic properties of supergraphene

Uses Software

• Mathematica
• MDBenchmarks

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