dc.creator | González Romero, Roberto Luis | es |
dc.creator | Meléndez, J. J. | es |
dc.creator | Gómez García, Diego | es |
dc.creator | Cumbrera Hernández, Francisco Luis | es |
dc.creator | Domínguez Rodríguez, Arturo | es |
dc.creator | Wakai, F. | es |
dc.date.accessioned | 2019-02-13T15:15:41Z | |
dc.date.available | 2019-02-13T15:15:41Z | |
dc.date.issued | 2011 | |
dc.identifier.citation | González Romero, R.L., Meléndez, J.J., Gómez García, D., Cumbrera Hernández, F.L., Domínguez Rodríguez, A. y Wakai, F. (2011). Cation diffusion in yttria-zirconia by molecular dynamics. Solid State Ionics, 204-205, 1-6. | |
dc.identifier.issn | 0167-2738 | es |
dc.identifier.uri | https://hdl.handle.net/11441/82983 | |
dc.description.abstract | This paper presents a novel methodology to calculate cation diffusion coefficients and activation energies in cubic Y2O3–ZrO2 by Molecular Dynamics. The calculation is based upon modulating the interaction potential to promote cation mobility within the lattice. The technique was calibrated by measuring static properties and oxygen self-diffusion characteristics, and then applied to cation diffusion. The respective activation energies and diffusion coefficients agree well with experimental findings. Preliminary results about grain boundary cation diffusion are presented for the first time as a proof of the potentiality of the procedure | es |
dc.description.sponsorship | Ministerio de Ciencia e Innovación MAT2009-14351-C02-01, MAT2009-14351-C02-02 | es |
dc.description.sponsorship | Agencia Española de Cooperación Internacional y Desarrollo 536875 | es |
dc.format | application/pdf | es |
dc.language.iso | eng | es |
dc.publisher | Elsevier | es |
dc.relation.ispartof | Solid State Ionics, 204-205, 1-6. | |
dc.rights | Attribution-NonCommercial-NoDerivatives 4.0 Internacional | * |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | * |
dc.subject | Molecular Dynamics | es |
dc.subject | Cationdiffusion | es |
dc.subject | Yttria–zirconia ceramics | es |
dc.title | Cation diffusion in yttria-zirconia by molecular dynamics | es |
dc.type | info:eu-repo/semantics/article | es |
dcterms.identifier | https://ror.org/03yxnpp24 | |
dc.type.version | info:eu-repo/semantics/submittedVersion | es |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | es |
dc.contributor.affiliation | Universidad de Sevilla. Departamento de Física de la Materia Condensada | es |
dc.relation.projectID | MAT2009-14351-C02-01 | es |
dc.relation.projectID | MAT2009-14351-C02-02 | es |
dc.relation.projectID | 536875 | es |
dc.relation.publisherversion | http://dx.doi.org/10.1016/j.ssi.2011.10.006 | es |
dc.identifier.doi | 10.1016/j.ssi.2011.10.006 | es |
idus.format.extent | 24 p. | es |
dc.journaltitle | Solid State Ionics | es |
dc.publication.volumen | 204-205 | es |
dc.publication.initialPage | 1 | es |
dc.publication.endPage | 6 | es |
dc.contributor.funder | Ministerio de Ciencia e Innovación (MICIN). España | |
dc.contributor.funder | Agencia Española de Cooperación Internacional para el Desarrollo (AECID) | |