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dc.contributor.authorDurandurdu, Murat
dc.date.accessioned2021-04-26T07:54:16Z
dc.date.available2021-04-26T07:54:16Z
dc.date.issued2018en_US
dc.identifier.issn0002-7820
dc.identifier.issn1551-2916
dc.identifier.urihttp //doi. org/10.1111/jace.15805
dc.identifier.urihttps://hdl.handle.net/20.500.12573/679
dc.descriptionAbdullah Gul University Support Foundationen_US
dc.description.abstractWe show, by means of ab initio calculations, that amorphous zirconia progressively transforms to a high-density amorphous phase with the application of pressure. The average coordination number of Zr and O atoms under pressure rises gradually to 8 and 4, respectively. The main building unit of the dense noncrystalline state is the eightfold-coordinated Zr atoms (62.5%). When the coordinated modification of Zr atoms in the zirconia crystal at high pressure and temperature conditions is considered, it can be perceived that amorphous zirconia follows a transformation mechanism similar to the one observed at high temperature but different than the one detected at high pressure. The dense disordered phase is indeed found to be locally comparable with the high-temperature tetragonal crystal. Upon decompression, some high-pressure arrangements are persevered in the model and a transformation into another amorphous state whose structure is intermediate between uncompressed and dense amorphous phases is observed in the simulations. The high-pressure amorphous structures are found to be semiconductors with a band gap smaller than that of the original model.en_US
dc.description.sponsorshipAbdullah Gul Universityen_US
dc.language.isoengen_US
dc.publisherWILEY, 111 RIVER ST, HOBOKEN 07030-5774, NJ USAen_US
dc.relation.isversionof10.1111/jace.15805en_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectzirconiaen_US
dc.subjectphase transformationen_US
dc.subjecthigh pressureen_US
dc.subjectamorphousen_US
dc.titleAmorphous zirconia at high pressureen_US
dc.typearticleen_US
dc.contributor.departmentAGÜ, Mühendislik Fakültesi, Malzeme Bilimi ve Nanoteknoloji Mühendisliği Bölümüen_US
dc.contributor.authorID0000-0001-5636-3183en_US
dc.identifier.volumeVolume: 101en_US
dc.identifier.issue12en_US
dc.identifier.startpage5411en_US
dc.identifier.endpage5418en_US
dc.relation.journalJOURNAL OF THE AMERICAN CERAMIC SOCIETYen_US
dc.relation.publicationcategoryMakale - Uluslararası - Editör Denetimli Dergien_US


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