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Please use this identifier to cite or link to this item: http://elar.urfu.ru/handle/10995/102665
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dc.contributor.authorBoukhvalov, D. W.en
dc.contributor.authorGornostyrev, Yu. N.en
dc.contributor.authorKatsnelson, M. I.en
dc.date.accessioned2021-08-31T15:04:37Z-
dc.date.available2021-08-31T15:04:37Z-
dc.date.issued2020-
dc.identifier.citationBoukhvalov D. W. Uncommon clustering in dilute Ti–Fe alloys / D. W. Boukhvalov, Yu. N. Gornostyrev, M. I. Katsnelson. — DOI 10.1088/2515-7639/ab7581 // JPhys Materials. — 2020. — Vol. 3. — Iss. 2. — 025007.en
dc.identifier.issn25157639-
dc.identifier.otherFinal2
dc.identifier.otherAll Open Access, Gold, Green3
dc.identifier.otherhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85103509636&doi=10.1088%2f2515-7639%2fab7581&partnerID=40&md5=b6ad1e14d44fae9fea84545ab7c0b47b
dc.identifier.urihttp://elar.urfu.ru/handle/10995/102665-
dc.description.abstractWe present the results of ab initio modeling of structure of dilute Ti–Fe, a typical representative of quenched Ti-based transition-metal alloys. We have demonstrated that beyond the solubility limit this alloy cannot be described in common terms of substitutional and interstitial alloys. Instead, very stable local clusters are formed in both low-temperature hcp and high-temperature bcc phases of alloys, with almost identical local structures. This gives an example of geometrically frustrated state and explains unusual concentration behavior of Mössbauer spectra discovered long ago for this system. © 2020 The Author(s). Published by IOP Publishing Ltd.en
dc.description.sponsorshipM I K acknowledges a financial support by NWO via Spinoza Prize. The work was supported by Act 211 Government of the Russian Federation, contract No. 02.A03.21.0006. D W B acknowledge support from the Ministry of Science and Higher Education of the Russian Federation, Project No. 3.7372.2017/8.9en
dc.format.mimetypeapplication/pdfen
dc.language.isoenen
dc.publisherIOP Publishing Ltden
dc.rightsinfo:eu-repo/semantics/openAccessen
dc.sourceJPhys mater.2
dc.sourceJPhys Materialsen
dc.subjectALLOYSen
dc.subjectCLUSTERIZATIONen
dc.subjectIMPURITIESen
dc.subjectTITANIUMen
dc.subjectCRYSTAL STRUCTUREen
dc.subjectIRON ALLOYSen
dc.subjectTEMPERATUREen
dc.subjectTRANSITION METALSen
dc.subjectAB INITIO MODELINGen
dc.subjectBCC PHASISen
dc.subjectHIGH TEMPERATUREen
dc.subjectINTERSTITIAL ALLOYSen
dc.subjectLOCAL CLUSTERen
dc.subjectLOCAL STRUCTUREen
dc.subjectLOW TEMPERATURESen
dc.subjectSOLUBILITY LIMITSen
dc.subjectTITANIUM ALLOYSen
dc.titleUncommon clustering in dilute Ti–Fe alloysen
dc.typeArticleen
dc.typeinfo:eu-repo/semantics/articleen
dc.typeinfo:eu-repo/semantics/publishedVersionen
dc.identifier.doi10.1088/2515-7639/ab7581-
dc.identifier.scopus85103509636-
local.contributor.employeeBoukhvalov, D.W., College of Science, Institute of Materials Physics and Chemistry, Nanjing Forestry University, Nanjing, 210037, China, Theoretical Physics and Applied Mathematics Department, Ural Federal University, Mira Street 19, Ekaterinburg, 620002, Russian Federation
local.contributor.employeeGornostyrev, Yu.N., Theoretical Physics and Applied Mathematics Department, Ural Federal University, Mira Street 19, Ekaterinburg, 620002, Russian Federation, Institute of Metal Physics, UB of RAS, S. Kovalevskaya st.,18, Ekaterinburg, 620990, Russian Federation, Institute of Quantum Materials Science, Ural Hi-Tech Park, Konstruktorov st, 5, Ekaterinburg, 620072, Russian Federation
local.contributor.employeeKatsnelson, M.I., Theoretical Physics and Applied Mathematics Department, Ural Federal University, Mira Street 19, Ekaterinburg, 620002, Russian Federation, Radboud University, Institute for Molecules and Materials, Heyendaalseweg 135, Nijmegen, 6525 AJ, Netherlands
local.issue2-
local.volume3-
dc.identifier.wos000560433000007-
local.contributor.departmentCollege of Science, Institute of Materials Physics and Chemistry, Nanjing Forestry University, Nanjing, 210037, China
local.contributor.departmentTheoretical Physics and Applied Mathematics Department, Ural Federal University, Mira Street 19, Ekaterinburg, 620002, Russian Federation
local.contributor.departmentInstitute of Metal Physics, UB of RAS, S. Kovalevskaya st.,18, Ekaterinburg, 620990, Russian Federation
local.contributor.departmentInstitute of Quantum Materials Science, Ural Hi-Tech Park, Konstruktorov st, 5, Ekaterinburg, 620072, Russian Federation
local.contributor.departmentRadboud University, Institute for Molecules and Materials, Heyendaalseweg 135, Nijmegen, 6525 AJ, Netherlands
local.identifier.pure13686499-
local.description.order025007-
local.identifier.eid2-s2.0-85103509636-
local.identifier.wosWOS:000560433000007-
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