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dc.contributor.authorDurandurdu, Murat
dc.date.accessioned2023-08-02T08:00:33Z
dc.date.available2023-08-02T08:00:33Z
dc.date.issued2015en_US
dc.identifier.issn0022-3093
dc.identifier.issn1873-4812
dc.identifier.otherWOS:000353928800002
dc.identifier.urihttp://dx.doi.org/10.1016/j.jnoncrysol.2015.03.004
dc.identifier.urihttps://hdl.handle.net/20.500.12573/1676
dc.description.abstractThe atomic structure of liquid and amorphous boron is investigated using an ab initio molecular dynamics technique. Liquid and amorphous states are found to have notably different microstructures and an average coordination number. Ideal and defective pentagonal pyramidal polyhedrons are the primary building unit of liquid boron but B12 icosahedra do not exist in the liquid state. During the rapid solidification, more ideal pentagonal pyramids develop progressively, resulting into a gradual formation of B12 icosahedra. On the basis of our findings, the atomic packing of pure amorphous boron is proposed to be somewhat close to that of the α-rhombohedral phase in contrast to the previous suggestions.en_US
dc.description.sponsorshipTurkiye Bilimsel ve Teknolojik Arastirma Kurumu (TUBITAK) BIDEB-2232 114C100en_US
dc.language.isoengen_US
dc.publisherELSEVIERen_US
dc.relation.isversionof10.1016/j.jnoncrysol.2015.03.004en_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectBoronen_US
dc.subjectAmorphousen_US
dc.subjectLiquiden_US
dc.subjectB12 icosahedraen_US
dc.titleLiquid boron and amorphous boron: An ab initio 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.volume417en_US
dc.identifier.startpage10en_US
dc.identifier.endpage14en_US
dc.relation.journalJOURNAL OF NON-CRYSTALLINE SOLIDSen_US
dc.relation.tubitakBIDEB-2232
dc.relation.ec114C100
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US


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