Ariza, M. P. and Serrano, R. and Mendez, J. P. and Ortiz, M. (2012) Stacking faults and partial dislocations in graphene. Philosophical Magazine, 92 (16). pp. 2004-2021. ISSN 1478-6435 http://resolver.caltech.edu/CaltechAUTHORS:20120625-113231865
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Abstract
We investigate two mechanisms of crystallographic slip in graphene, corresponding to glide and shuffle generalized stacking faults (GSF), and compute their γ-curves using Sandia National Laboratories Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS). We find evidence of metastable partial dislocations for the glide GSF only. The computed values of the stable and unstable stacking-fault energies are suggestive of a high stability of full dislocations against dissociation and of dislocation dipoles against annihilation.
| Item Type: | Article | ||||||||||
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| Additional Information: | © 2012 Taylor & Francis. Received 3 August 2011; final version received 14 December 2011; Available online: 17 May 2012. We gratefully acknowledge the support of the Ministerio de Ciencia e Innovación of Spain (DPI2009-14305-C02-01) and the support of the Consejería de Innovación of Junta de Andalucía (P09-TEP-4493). Support for this study was also provided by 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. | ||||||||||
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| Subject Keywords: | graphene; stacking faults; dislocations; dynamic stability | ||||||||||
| Record Number: | CaltechAUTHORS:20120625-113231865 | ||||||||||
| Persistent URL: | http://resolver.caltech.edu/CaltechAUTHORS:20120625-113231865 | ||||||||||
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| Official Citation: | M.P. Ariza, R. Serrano, J.P. Mendez & M. Ortiz (2012): Stacking faults and partial dislocations in graphene, Philosophical Magazine, 92:16, 2004-2021 | ||||||||||
| Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | ||||||||||
| ID Code: | 32062 | ||||||||||
| Collection: | CaltechAUTHORS | ||||||||||
| Deposited By: | Aucoeur Ngo | ||||||||||
| Deposited On: | 25 Jun 2012 20:13 | ||||||||||
| Last Modified: | 25 Jun 2012 20:13 |
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