You are in the accessibility menu

Please use this identifier to cite or link to this item: http://acervodigital.unesp.br/handle/11449/130432
Full metadata record
DC FieldValueLanguage
dc.contributor.authorRino, José Pedro-
dc.contributor.authorAntonio, Giomal A.-
dc.date.accessioned2014-05-27T11:17:53Z-
dc.date.accessioned2016-10-25T21:21:09Z-
dc.date.available2014-05-27T11:17:53Z-
dc.date.available2016-10-25T21:21:09Z-
dc.date.issued1993-09-01-
dc.identifierhttp://www.sciencedirect.com/science/article/pii/016727389390173Z-
dc.identifier.citationSolid State Ionics, v. 63-65, n. C, p. 644-649, 1993.-
dc.identifier.issn0167-2738-
dc.identifier.urihttp://hdl.handle.net/11449/130432-
dc.identifier.urihttp://acervodigital.unesp.br/handle/11449/130432-
dc.description.abstractUsing an effective two-body interaction potential, a molecular dynamics study of the structural properties of amorphous ZrF4 phase is presented. The effective pair potential includes steric repulsion, Coulomb interaction due to charge transfer, and charge-dipole interaction due to the large electronic polarizability of anions. The results for structural correlations, such as pair distribution functions, coordination numbers, and bond angle distributions are presented. Excellent agreement is obtained by comparing experimental X-ray diffraction and the simulated static X-ray structure factor. © 1993.en
dc.format.extent644-649-
dc.language.isoeng-
dc.publisherElsevier B.V.-
dc.sourceScopus-
dc.subjectAmorphous materials-
dc.subjectComposition effects-
dc.subjectMolecular structure-
dc.subjectMolecular vibrations-
dc.subjectPhase transitions-
dc.subjectPhysical properties-
dc.subjectX ray analysis-
dc.subjectBond angle distribution-
dc.subjectCharge dipole interaction-
dc.subjectCharge transfer-
dc.subjectCoordination number-
dc.subjectCoulomb interaction-
dc.subjectMolecular dynamics study-
dc.subjectSimulated static x-ray structure factor-
dc.subjectSteric repulsion-
dc.subjectZirconium compounds-
dc.titleAmorphous ZrF4-a molecular dynamics studyen
dc.typeoutro-
dc.contributor.institutionUniversidade Federal de São Carlos (UFSCar)-
dc.contributor.institutionUniversidade Estadual Paulista (UNESP)-
dc.description.affiliationUniversidade Federal de São Carlos, Via Washington Luiz Km 235, 13565-905 São Carlos S.P.-
dc.description.affiliationUniversidade Estadual Paulista, Avenida Luis E.C. Coube s/n, 17033 Bauru S.P.-
dc.description.affiliationUnespUniversidade Estadual Paulista, Avenida Luis E.C. Coube s/n, 17033 Bauru S.P.-
dc.identifier.doihttp://dx.doi.org/10.1016/0167-2738(93)90173-Z-
dc.identifier.wosWOS:A1993LZ39400097-
dc.rights.accessRightsAcesso restrito-
dc.relation.ispartofSolid State Ionics-
dc.identifier.scopus2-s2.0-0027663169-
Appears in Collections:Artigos, TCCs, Teses e Dissertações da Unesp

There are no files associated with this item.
Show simple item record Show full item record   View Statistics
 

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.