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Published May 2010 | metadata_only
Journal Article

Discrete dislocations in graphene

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.

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.

Additional details

Created:
August 21, 2023
Modified:
August 21, 2023