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Materials 2013, 6(9), 3764-3782;

Homogenized Elastic Properties of Graphene for Small Deformations

LMT-Cachan (ENS-Cachan/CNRS/UPMC/PRES UniverSud Paris) 61, avenue du Président Wilson, Cachan F-94235, France
Faculty of Mechanical Engineering and Naval Architecture, University of Zagreb, Ivana Lucica 5, Zagreb 10000, Croatia
Author to whom correspondence should be addressed.
Received: 8 July 2013 / Revised: 26 August 2013 / Accepted: 27 August 2013 / Published: 3 September 2013
(This article belongs to the Special Issue Computational Modeling and Simulation in Materials Study)
PDF [1704 KB, uploaded 3 September 2013]


In this paper, we provide the quantification of the linear and non-linear elastic mechanical properties of graphene based upon the judicious combination of molecular mechanics simulation results and homogenization methods. We clarify the influence on computed results by the main model features, such as specimen size, chirality of microstructure, the effect of chosen boundary conditions (imposed displacement versus force) and the corresponding plane stress transformation. The proposed approach is capable of explaining the scatter of the results for computed stresses, energy and stiffness and provides the bounds on graphene elastic properties, which are quite important in modeling and simulation of the virtual experiments on graphene-based devices. View Full-Text
Keywords: graphene; elastic properties; molecular mechanics; stiffness bounds graphene; elastic properties; molecular mechanics; stiffness bounds

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Marenić, E.; Ibrahimbegovic, A.; Sorić, J.; Guidault, P.-A. Homogenized Elastic Properties of Graphene for Small Deformations. Materials 2013, 6, 3764-3782.

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