Title
Buckled circular monolayer graphene : a graphene nano-bowlBuckled circular monolayer graphene : a graphene nano-bowl
Author
Faculty/Department
Faculty of Sciences. Physics
Research group
Condensed Matter Theory
Publication type
article
Publication
London,
Subject
Physics
Source (journal)
Journal of physics : condensed matter. - London
Volume/pages
23(2011):4, p. 045002,1-045002,8
ISSN
0953-8984
Article Reference
045002
Carrier
E-only publicatie
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
We investigate the stability of circular monolayer graphene subjected to a radial load using non-equilibrium molecular dynamics simulations. When monolayer graphene is radially stressed, after some small circular strain (~0.4%) it buckles and bends into a new bowl-like shape. Young's modulus is calculated from the linear relation between stress and strain before the buckling threshold, which is in agreement with experimental results. The prediction of elasticity theory for the buckling threshold of a radially stressed plate is presented and its results are compared to the one of our atomistic simulation. The Jarzynski equality is used to estimate the difference between the free energy of the non-compressed states and the buckled states. From a calculation of the free energy we obtain the optimum radius for which the system feels the minimum boundary stress.
E-info
https://repository.uantwerpen.be/docman/iruaauth/ae81a5/4b1e409af0a.pdf
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