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dc.contributor.authorDurandurdu, Murat
dc.date.accessioned2021-07-13T07:03:13Z
dc.date.available2021-07-13T07:03:13Z
dc.date.issued2017en_US
dc.identifier.issn0022-3093
dc.identifier.issn1873-4812
dc.identifier.urihttps://doi.org/10.1016/j.jnoncrysol.2017.06.002
dc.identifier.urihttps://hdl.handle.net/20.500.12573/864
dc.descriptionThis work was supported by the Scientific and Technological Research Council of Turkey (TUBITAK) under grant number 114C100. The simulations were run on the TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRUBA resources).en_US
dc.description.abstractThe densification mechanism of amorphous boron under pressure is investigated using a constant pressure ab initio technique and found to be associated with two consecutive amorphous-to-amorphous phase transformations. Amorphous boron gradually transforms into a high density amorphous phase, followed by a first order phase transformation into another high density amorphous state. The high density amorphous phases of boron are not quenchable to ambient pressure. Most quasimolecular B-12 icosahedra in the model are found to be stable at the highest the theoretical pressure of 280 GPa reached in the present work and thus the phase transformations are principally due to the re-structural arrangements in the parts of the model connecting B-12 icosahedra.en_US
dc.description.sponsorshipTurkiye Bilimsel ve Teknolojik Arastirma Kurumu (TUBITAK) 114C100en_US
dc.language.isoengen_US
dc.publisherELSEVIERRADARWEG 29, 1043 NX AMSTERDAM, NETHERLANDSen_US
dc.relation.isversionof10.1016/j.jnoncrysol.2017.06.002en_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectBoronen_US
dc.subjectPhase transformationen_US
dc.subjectPolyamorphismen_US
dc.titleDensification of amorphous boron under 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 471 Page 274-279en_US
dc.relation.journalJOURNAL OF NON-CRYSTALLINE SOLIDSen_US
dc.relation.tubitak114C100
dc.relation.publicationcategoryMakale - Uluslararası - Editör Denetimli Dergien_US


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