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http://elar.urfu.ru/handle/10995/112199
Полная запись метаданных
Поле DC | Значение | Язык |
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dc.contributor.author | Dubinin, N. | en |
dc.contributor.author | Ryltsev, R. | en |
dc.date.accessioned | 2022-05-12T08:30:20Z | - |
dc.date.available | 2022-05-12T08:30:20Z | - |
dc.date.issued | 2021 | - |
dc.identifier.citation | Dubinin N. Effective Pair Interactions and Structure in Liquid Noble Metals within Wills-Harrison and Bretonnet-Silbert Models / N. Dubinin, R. Ryltsev // Metals. — 2021. — Vol. 11. — Iss. 7. — 1115. | en |
dc.identifier.issn | 2075-4701 | - |
dc.identifier.other | All Open Access, Gold | 3 |
dc.identifier.uri | http://elar.urfu.ru/handle/10995/112199 | - |
dc.description.abstract | Recently, for calculating the effective pair interactions in liquid transition metals, we have developed an approach which includes the Wills-Harrison and Bretonnet-Silbert models as limit cases. Here, we apply this approach to noble liquid metals. The dependencies of pair potentials and corresponding MD-simulated pair correlation functions in pure liquid Cu, Ag and Au on the portion of the non-diagonal (with respect to the magnet quantum number) d-d-electron couplings in the metal under consideration are studied. The model provides a good agreement with experimental and ab initio data for pair correlation functions, structure factors and velocity autocorrelation functions. © 2021 by the authors. Licensee MDPI, Basel, Switzerland. | en |
dc.description.sponsorship | Funding: This work is supported by the Russian Federation Ministry of Science and Higher Education through the state research target for the Institute of Metallurgy of the Ural Branch of Russian Academy of Sciences (Project No. 0396-2019-0002). | en |
dc.format.mimetype | application/pdf | en |
dc.language.iso | en | en |
dc.publisher | MDPI AG | en1 |
dc.publisher | MDPI AG | en |
dc.rights | info:eu-repo/semantics/openAccess | en |
dc.source | Metals | 2 |
dc.source | Metals | en |
dc.subject | BRETONNET-SILBERT PSEUDOPOTENTIAL | en |
dc.subject | D-D-ELECTRON COUPLING | en |
dc.subject | LIQUID TRANSITION METAL | en |
dc.subject | PAIR INTERATOMIC INTERACTION | en |
dc.subject | WILLS-HARRISON APPROXIMATION | en |
dc.title | Effective Pair Interactions and Structure in Liquid Noble Metals within Wills-Harrison and Bretonnet-Silbert Models | en |
dc.type | Article | en |
dc.type | info:eu-repo/semantics/article | en |
dc.type | info:eu-repo/semantics/publishedVersion | en |
dc.identifier.rsi | 46888825 | - |
dc.identifier.doi | 10.3390/met11071115 | - |
dc.identifier.scopus | 85109490342 | - |
local.contributor.employee | Dubinin, N., Institute of Metallurgy of the Ural Branch of the Russian Academy of Sciences, 101 Amundsen St., Ekaterinburg, 620016, Russian Federation, Ural Federal University, 19 Mira St., Ekaterinburg, 620002, Russian Federation; Ryltsev, R., Institute of Metallurgy of the Ural Branch of the Russian Academy of Sciences, 101 Amundsen St., Ekaterinburg, 620016, Russian Federation, Ural Federal University, 19 Mira St., Ekaterinburg, 620002, Russian Federation | en |
local.issue | 7 | - |
local.volume | 11 | - |
dc.identifier.wos | 000676608700001 | - |
local.contributor.department | Institute of Metallurgy of the Ural Branch of the Russian Academy of Sciences, 101 Amundsen St., Ekaterinburg, 620016, Russian Federation; Ural Federal University, 19 Mira St., Ekaterinburg, 620002, Russian Federation | en |
local.identifier.pure | 22820497 | - |
local.description.order | 1115 | - |
local.identifier.eid | 2-s2.0-85109490342 | - |
local.identifier.wos | WOS:000676608700001 | - |
Располагается в коллекциях: | Научные публикации ученых УрФУ, проиндексированные в SCOPUS и WoS CC |
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Файл | Описание | Размер | Формат | |
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2-s2.0-85109490342.pdf | 9,03 MB | Adobe PDF | Просмотреть/Открыть |
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