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Author | Neek-Amal, M.; Peeters, F.M. | ||||
Title | Buckled circular monolayer graphene : a graphene nano-bowl | Type | A1 Journal article | ||
Year | 2011 | Publication | Journal of physics : condensed matter | Abbreviated Journal | J Phys-Condens Mat |
Volume | 23 | Issue | 4 | Pages | 045002-045002,8 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
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. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | London | Editor | ||
Language | Wos | 000286142800003 | Publication Date | 2010-12-16 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0953-8984;1361-648X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.649 | Times cited | 27 | Open Access | |
Notes | ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ; | Approved | Most recent IF: 2.649; 2011 IF: 2.546 | ||
Call Number | UA @ lucian @ c:irua:88043 | Serial | 259 | ||
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