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Discrete dislocations in graphene

Ariza, M. P. and Ortiz, M. (2010) Discrete dislocations in graphene. Journal of the Mechanics and Physics of Solids, 58 (5). pp. 710-734. ISSN 0022-5096. http://resolver.caltech.edu/CaltechAUTHORS:20171117-151152380

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Abstract

In this work, we present an application of the theory of discrete dislocations of Ariza and Ortiz (2005) to the analysis of dislocations in graphene. Specifically, we discuss the specialization of the theory to graphene and its further specialization to the force-constant model of Aizawa et al. (1990). The ability of the discrete-dislocation theory to predict dislocation core structures and energies is critically assessed for periodic arrangements of dislocation dipoles and quadrupoles. We show that, with the aid of the discrete Fourier transform, those problems are amenable to exact solution within the discrete-dislocation theory, which confers the theory a distinct advantage over conventional atomistic models. The discrete dislocations exhibit 5–7 ring core structures that are consistent with observation and result in dislocation energies that fall within the range of prediction of other models. The asymptotic behavior of dilute distributions of dislocations is characterized analytically in terms of a discrete prelogarithmic energy tensor. Explicit expressions for this discrete prelogarithmic energy tensor are provided up to quadratures.


Item Type:Article
Related URLs:
URLURL TypeDescription
https://doi.org/10.1016/j.jmps.2010.02.008DOIArticle
http://www.sciencedirect.com/science/article/pii/S0022509610000311PublisherArticle
Additional Information:© 2010 Elsevier. Received 3 September 2009, Revised 10 February 2010, Accepted 11 February 2010, Available online 3 March 2010. We gratefully acknowledge the support of the Ministerio de Educación y Ciencia of Spain (DPI2006-05045), the support of the Consejería de Innovación of Junta de Andalucía (P06-TEP1514) and the support of the Department of Energy National Nuclear Security Administration under Award Number DE-FC52-08NA28613 through Caltech's ASC/PSAAP Center for the Predictive Modeling and Simulation of High Energy Density Dynamic Response of Materials.
Group:GALCIT
Funders:
Funding AgencyGrant Number
Ministerio de Educación y Ciencia (MEC)DPI2006-05045
Consejería de Innovación of Junta de AndalucíaP06-TEP1514
Department of Energy (DOE) National Nuclear Security AdministrationDE-FC52-08NA28613
Subject Keywords:Graphene; Discrete mechanics; Discrete dislocations; Core structures; Dilute limit
Record Number:CaltechAUTHORS:20171117-151152380
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:20171117-151152380
Official Citation:M.P. Ariza, M. Ortiz, Discrete dislocations in graphene, In Journal of the Mechanics and Physics of Solids, Volume 58, Issue 5, 2010, Pages 710-734, ISSN 0022-5096, https://doi.org/10.1016/j.jmps.2010.02.008. (http://www.sciencedirect.com/science/article/pii/S0022509610000311)
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:83307
Collection:CaltechAUTHORS
Deposited By: Lydia Suarez
Deposited On:20 Nov 2017 23:37
Last Modified:20 Nov 2017 23:37

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