Title:
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Elastic bending modulus of monolayer graphene
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Author:
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Lu, Q; Arroyo Balaguer, Marino; Huang, R
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Other authors:
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Universitat Politècnica de Catalunya. Departament de Matemàtica Aplicada III; Universitat Politècnica de Catalunya. LACÀN - Mètodes Numèrics en Ciències Aplicades i Enginyeria |
Abstract:
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An analytic formula is derived for the elastic bending modulus of monolayer graphene based on an empirical potential for solid-state carbon atoms. Two physical origins are identified for the non-vanishing bending stiffness of the atomically thin graphene sheet, one due to the bond-angle effect and the other resulting from the bond-order term associated with the dihedral angles. The analytical prediction compares closely with ab initio energy calculations. Pure bending of graphene monolayers into cylindrical tubes is simulated by a molecular mechanics approach, showing slight nonlinearity and anisotropy in the tangent bending modulus as the bending curvature increases. An intrinsic coupling between bending and in-plane strain is noted for graphene monolayers rolled into carbon nanotubes. |
Abstract:
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Peer Reviewed |
Subject(s):
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-Àrees temàtiques de la UPC::Física::Física de l'estat sòlid -Graphene -Nanotubes, Carbon -Deformation and plasticity -Lm Deformation -plasticity -and creep -Mechanical properties of nanoscale systems -Elasticity and anelasticity -stress-strain relations -Structure of fullerenes and related hollow -molecular clusters -Elasticity -Nanotubs de carboni |
Rights:
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Document type:
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Article - Submitted version Article |
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