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Published June 2012 | public
Journal Article

Stacking faults and partial dislocations in graphene


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.

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