dc.creator | San Miguel Barrera, Miguel Ángel | es |
dc.creator | Fernández Sanz, Javier | es |
dc.creator | Álvarez, Luis Javier | es |
dc.creator | Odriozola Gordón, José Antonio | es |
dc.date.accessioned | 2017-05-08T10:06:40Z | |
dc.date.available | 2017-05-08T10:06:40Z | |
dc.date.issued | 1998 | |
dc.identifier.citation | San Miguel Barrera, M.Á., Fernández Sanz, J., Álvarez, L.J. y Odriozola Gordón, J.A. (1998). Molecular-dynamics simulations of liquid aluminum oxide. Physical Review B - Condensed Matter and Materials Physics, 58 (5), 2369-2371. | |
dc.identifier.issn | 1098-0121 | es |
dc.identifier.uri | http://hdl.handle.net/11441/59416 | |
dc.description.abstract | The total and partial radial distribution functions g(r) and the corresponding structure factors S(q) were calculated based on molecular-dynamics simulations in the microcanonical ensemble of liquid aluminum oxide. The simulations were performed in the temperature range 2300-3000 K in order to explore the temperature dependence of the structure, finding that the liquid structure is invariant as a function of temperature. With the aid of the partial radial distribution functions, it is possible to reinterpret the experimental data leading to a new assignment of peaks which differs from the one reported in a previously published work by Ansell et al. [Phys. Rev. Lett. 78, 464 (1997)]. The structural model for liquid aluminum oxide obtained from our simulations is essentially the same as that reported in the experimental work. | es |
dc.description.sponsorship | Dirección General de Investigaciones Científicas y Técnicas PB95-1247 | es |
dc.format | application/pdf | es |
dc.language.iso | eng | es |
dc.publisher | American Physical Society | es |
dc.relation.ispartof | Physical Review B - Condensed Matter and Materials Physics, 58 (5), 2369-2371. | |
dc.rights | Attribution-NonCommercial-NoDerivatives 4.0 Internacional | * |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | * |
dc.title | Molecular-dynamics simulations of liquid aluminum oxide | 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 Química Física | es |
dc.contributor.affiliation | Universidad de Sevilla. Departamento de Química Inorgánica | es |
dc.relation.projectID | PB95-1247 | es |
dc.relation.publisherversion | 10.1103/PhysRevB.58.2369 | es |
dc.identifier.doi | https://doi.org/10.1103/PhysRevB.58.2369 | es |
idus.format.extent | 3 p. | es |
dc.journaltitle | Physical Review B - Condensed Matter and Materials Physics | es |
dc.publication.volumen | 58 | es |
dc.publication.issue | 5 | es |
dc.publication.initialPage | 2369 | es |
dc.publication.endPage | 2371 | es |
dc.contributor.funder | Dirección General de Investigación Científica y Técnica (DGICYT). España | |