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dc.contributor.authorCetin, Aysegul O.
dc.contributor.authorDurandurdu, Murat
dc.date.accessioned2021-05-18T08:43:47Z
dc.date.available2021-05-18T08:43:47Z
dc.date.issued2018en_US
dc.identifier.issn1551-2916
dc.identifier.issn0002-7820
dc.identifier.urihttps://doi.org/10.1111/jace.15383
dc.identifier.urihttps://hdl.handle.net/20.500.12573/716
dc.descriptionScientific and Technological Research Council of Turkey, Grant/Award Number: 114C100en_US
dc.description.abstractBoron-rich amorphous boron nitride (BxN1-x, 0.55x0.95) alloys are generated by means of abinitio molecular dynamics simulations and their local structure, mechanical properties and electronic structure are exposed. BN:B phase separations are perceived in all amorphous networks, suggesting that these materials can serve as nanoglass ceramics. The sp(2) hybridization is the main building unit in the BN-rich regions for low boron concentrations, and the models carry locally the signature of the two-dimensional hexagonal BN structure. The amorphous states having both sp(2) and sp(3) hybridizations form for boron contents between 70% and 80%. At higher boron concentrations, sp(3) hybridization with a fraction of similar to 90%-98% is detected as seen in the cubic or wurtize BN crystals. In the boron rich regions, the ideal and defective pentagonal pyramids emerge at 60% boron content, and the first complete B-12 molecule develops at 70% boron concentration. In addition to the B-12 icosahedron, the formation of a cage-like B-16 molecule is, for the first time, discovered in some amorphous alloys. The isolated B-16 molecule is, however, found to be unstable. The Vickers harness calculations reveal that some of these amorphous alloys can serve as hard materials. When their electron properties are considered, all amorphous materials are predicted to be semiconducting.en_US
dc.description.sponsorshipTurkiye Bilimsel ve Teknolojik Arastirma Kurumu (TUBITAK) 114C100en_US
dc.language.isoengen_US
dc.publisherWILEY, 111 RIVER ST, HOBOKEN 07030-5774, NJ USAen_US
dc.relation.isversionof10.1111/jace.15383en_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectnanoglassen_US
dc.subjecthard materialsen_US
dc.subjectboron richen_US
dc.subjectboron nitrideen_US
dc.subjectB-16 moleculeen_US
dc.titleHard boron rich boron nitride nanoglassesen_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: 101 Issue: 5 Pages: 1929-1939en_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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