dc.creator | Arca Cebrián, Francisco | es |
dc.creator | Méndez, Juan Pedro | es |
dc.creator | Ortiz, Michael | es |
dc.creator | Ariza Moreno, María del Pilar | es |
dc.date.accessioned | 2019-09-11T16:11:30Z | |
dc.date.available | 2019-09-11T16:11:30Z | |
dc.date.issued | 2019-07 | |
dc.identifier.citation | Arca Cebrián, F., Mendez, J.P., Ortiz, M. y Ariza Moreno, M.d.P. (2019). Steric Interference in Bilayer Graphene with Point Dislocations. Nanomaterials, 9 (7). Article number 1012. | |
dc.identifier.issn | 2079-4991 | es |
dc.identifier.uri | https://hdl.handle.net/11441/89097 | |
dc.description.abstract | We present evidence of strong steric interference in bilayer graphene containing offset point
dislocations. Calculations are carried out with Large-scale Atomic/Molecular Massively Parallel
Simulator (LAMMPS) using the Long-Range Carbon Bond-Order Potential (LCBOP) potential of
Los et al.. We start by validating the potential in the harmonic response by comparing the predicted
phonon dispersion curves to experimental data and other potentials. The requisite force constants
are derived by linearization of the potential and are presented in full form. We then continue to
validate the potential in applications involving the formation of dislocation dipoles and quadrupoles
in monolayer configurations. Finally, we evaluate a number of dislocation quadrupole configurations
in monolayer and bilayer graphene and document strong steric interactions due to out-of-plane
displacements when the dislocations on the individual layers are sufficiently offset with respect to
each other. | es |
dc.description.sponsorship | Consejería de Economía, Innovación, Ciencia y Empleo de la Junta de Andalucía P12-TEP-850 | es |
dc.description.sponsorship | Ministerio de Economía y Competitividad DPI2015-66534-R | es |
dc.format | application/pdf | es |
dc.language.iso | eng | es |
dc.publisher | MDPI | es |
dc.relation.ispartof | Nanomaterials, 9 (7). Article number 1012. | |
dc.rights | Attribution-NonCommercial-NoDerivatives 4.0 Internacional | * |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | * |
dc.subject | Graphene | es |
dc.subject | Force constants model | es |
dc.subject | Distributed dislocations | es |
dc.title | Steric Interference in Bilayer Graphene with Point Dislocations | es |
dc.type | info:eu-repo/semantics/article | es |
dcterms.identifier | https://ror.org/03yxnpp24 | |
dc.type.version | info:eu-repo/semantics/publishedVersion | es |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | es |
dc.contributor.affiliation | Universidad de Sevilla. Departamento de Mecánica de Medios Continuos y Teoría de Estructuras | es |
dc.relation.projectID | P12-TEP-850 | es |
dc.relation.projectID | DPI2015-66534-R | es |
dc.relation.publisherversion | https://doi.org/10.3390/nano9071012 | es |
dc.identifier.doi | 10.3390/nano9071012 | es |
idus.format.extent | 16 p. | es |
dc.journaltitle | Nanomaterials | es |
dc.publication.volumen | 9 | es |
dc.publication.issue | 7 | es |
dc.publication.initialPage | Article number 1012 | es |