Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/102665
Title: Uncommon clustering in dilute Ti–Fe alloys
Authors: Boukhvalov, D. W.
Gornostyrev, Yu. N.
Katsnelson, M. I.
Issue Date: 2020
Publisher: IOP Publishing Ltd
Citation: Boukhvalov 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.
Abstract: We 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.
Keywords: ALLOYS
CLUSTERIZATION
IMPURITIES
TITANIUM
CRYSTAL STRUCTURE
IRON ALLOYS
TEMPERATURE
TRANSITION METALS
AB INITIO MODELING
BCC PHASIS
HIGH TEMPERATURE
INTERSTITIAL ALLOYS
LOCAL CLUSTER
LOCAL STRUCTURE
LOW TEMPERATURES
SOLUBILITY LIMITS
TITANIUM ALLOYS
URI: http://hdl.handle.net/10995/102665
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 85103509636
PURE ID: 13686499
ISSN: 25157639
DOI: 10.1088/2515-7639/ab7581
metadata.dc.description.sponsorship: M 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. 3.7372.2017/8.9
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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