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Summary: 1
Elastic bending modulus of monolayer graphene
Qiang Lua
, Marino Arroyob
, and Rui Huanga
a
Department of Aerospace Engineering and Engineering mechanics, University of Texas, Austin,
TX 78712, USA
b
Department of Applied Mathematics 3, LaCàN, Universitat Politècnica de Catalunya (UPC),
Barcelona 08034, Spain
Abstract
A new formula for elastic bending modulus of monolayer graphene is derived analytically from
an empirical potential for solid-state carbon-carbon atomic bonds. Two physical origins are
identified for the non-vanishing bending modulus 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 are 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
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