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dc.contributor.authorDurandurdu, Murat
dc.date.accessioned2021-08-26T12:01:13Z
dc.date.available2021-08-26T12:01:13Z
dc.date.issued2016en_US
dc.identifier.issn0002-7820
dc.identifier.issn1551-2916
dc.identifier.urihttps://doi.org/10.1111/jace.14186
dc.identifier.urihttps://hdl.handle.net/20.500.12573/962
dc.descriptionThis work was supported by the Scientific and Technical Research Council of Turkey (TUBITAK) under grant no: 114C100.en_US
dc.description.abstractThe high-pressure behavior of amorphous aluminum nitride is investigated for the first time by means of ab initio molecular dynamics simulations. It is found to undergo two successive first-order phase transformations with the application of pressure. The first one is a polyamorphic phase transition in which the low-density amorphous phase transforms into a high-density amorphous phase having an average coordination number of about 4.6. The high-density amorphous structure transforms back to a low-coordinated amorphous network upon pressure release but its density is higher than that of the original low-density amorphous phase. The second phase change is the crystallization of the high-density amorphous state into a rocksalt structure. A careful analysis suggests that the hexagonal-like nanoclusters presented in amorphous aluminum nitride prevent the formation of a very dense amorphous phase (about sixfold coordinated) during the first phase transition and they act as a nucleation center for the crystallization process.en_US
dc.description.sponsorshipTurkiye Bilimsel ve Teknolojik Arastirma Kurumu (TUBITAK) 114C100en_US
dc.language.isoengen_US
dc.publisherWILEY111 RIVER ST, HOBOKEN 07030-5774, NJen_US
dc.relation.isversionof10.1111/jace.14186en_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectPRESSURE-INDUCED AMORPHIZATIONen_US
dc.subjectINDUCED PHASE-TRANSITIONSen_US
dc.subjectROCK-SALT PHASEen_US
dc.subjectTHERMAL-CONDUCTIVITYen_US
dc.subjectTRANSFORMATIONSen_US
dc.subjectLIQUIDSen_US
dc.subjectLUMINESCENCEen_US
dc.titlePolyamorphism in Aluminum Nitride: A First Principles Molecular Dynamics Studyen_US
dc.typearticleen_US
dc.contributor.departmentAGÜ, Mühendislik Fakültesi, Malzeme Bilimi ve Nanoteknoloji Mühendisliği Bölümüen_US
dc.contributor.authorID0000-0001-5636-3183en_US
dc.contributor.institutionauthorDurandurdu, Murat
dc.identifier.volumeVolume 99 Issue 5 Page 1594-1600en_US
dc.relation.journalJOURNAL OF THE AMERICAN CERAMIC SOCIETYen_US
dc.relation.tubitak114C100
dc.relation.publicationcategoryMakale - Uluslararası - Editör Denetimli Dergien_US


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