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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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.
|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.|
|Subject Keywords:||graphene; stacking faults; dislocations; dynamic stability|
|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.|
|Deposited By:||Aucoeur Ngo|
|Deposited On:||25 Jun 2012 20:13|
|Last Modified:||25 Jun 2012 20:13|
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