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http://elar.urfu.ru/handle/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://elar.urfu.ru/handle/10995/102665 |
Access: | info:eu-repo/semantics/openAccess |
SCOPUS ID: | 85103509636 |
WOS ID: | 000560433000007 |
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 ученых УрФУ, проиндексированные в SCOPUS и WoS CC |
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