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Modeling Ionic Transport and Manifestation of Mixed Alkali Effect in Glass and Glass-Forming Melts of Lithium and Sodium Niobium Phosphates. / Salamatov, M. S.; Sokolov, I. A.; Petrov, A. V.; Murin, I. V.

в: Glass Physics and Chemistry, Том 46, № 5, 01.09.2020, стр. 405-409.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

Harvard

Salamatov, MS, Sokolov, IA, Petrov, AV & Murin, IV 2020, 'Modeling Ionic Transport and Manifestation of Mixed Alkali Effect in Glass and Glass-Forming Melts of Lithium and Sodium Niobium Phosphates', Glass Physics and Chemistry, Том. 46, № 5, стр. 405-409. https://doi.org/10.1134/S1087659620050065

APA

Salamatov, M. S., Sokolov, I. A., Petrov, A. V., & Murin, I. V. (2020). Modeling Ionic Transport and Manifestation of Mixed Alkali Effect in Glass and Glass-Forming Melts of Lithium and Sodium Niobium Phosphates. Glass Physics and Chemistry, 46(5), 405-409. https://doi.org/10.1134/S1087659620050065

Vancouver

Salamatov MS, Sokolov IA, Petrov AV, Murin IV. Modeling Ionic Transport and Manifestation of Mixed Alkali Effect in Glass and Glass-Forming Melts of Lithium and Sodium Niobium Phosphates. Glass Physics and Chemistry. 2020 Сент. 1;46(5):405-409. https://doi.org/10.1134/S1087659620050065

Author

Salamatov, M. S. ; Sokolov, I. A. ; Petrov, A. V. ; Murin, I. V. / Modeling Ionic Transport and Manifestation of Mixed Alkali Effect in Glass and Glass-Forming Melts of Lithium and Sodium Niobium Phosphates. в: Glass Physics and Chemistry. 2020 ; Том 46, № 5. стр. 405-409.

BibTeX

@article{2ac0dc3617e245739de7d665ef407c76,
title = "Modeling Ionic Transport and Manifestation of Mixed Alkali Effect in Glass and Glass-Forming Melts of Lithium and Sodium Niobium Phosphates",
abstract = "Abstract: The diffusion coefficients of Li+ and Na+ ions in glass and glass-forming melts of lithium and sodium niobium phosphates, which are in satisfactory agreement with the experimental data available in the literature, are obtained by the molecular dynamics method. The nonlinear change in the migration parameters (manifestation of the mixed alkali effect) is confirmed at the equivalent replacement of Li+ ions by Na+ ions in this system. The analysis of the radial pair correlation functions demonstrates an increased formation of lithium-sodium ionic pairs in bimetallic compositions, responsible for manifestation of the mixed alkali effect.",
keywords = "diffusion coefficient, glass, glass-forming melt, lithium and sodium niobium phosphates, mixed alkali effect, molecular dynamics, radial distribution function, MOLECULAR-DYNAMICS, CONDUCTIVITY, MD, DIFFUSION",
author = "Salamatov, {M. S.} and Sokolov, {I. A.} and Petrov, {A. V.} and Murin, {I. V.}",
note = "Funding Information: The research was carried out using the computing resources of the Resource Center ?Computing Center of St. Petersburg State University? (http://cc.spbu.ru). Publisher Copyright: {\textcopyright} 2020, Pleiades Publishing, Ltd. Copyright: Copyright 2020 Elsevier B.V., All rights reserved.",
year = "2020",
month = sep,
day = "1",
doi = "10.1134/S1087659620050065",
language = "English",
volume = "46",
pages = "405--409",
journal = "Glass Physics and Chemistry",
issn = "1087-6596",
publisher = "МАИК {"}Наука/Интерпериодика{"}",
number = "5",

}

RIS

TY - JOUR

T1 - Modeling Ionic Transport and Manifestation of Mixed Alkali Effect in Glass and Glass-Forming Melts of Lithium and Sodium Niobium Phosphates

AU - Salamatov, M. S.

AU - Sokolov, I. A.

AU - Petrov, A. V.

AU - Murin, I. V.

N1 - Funding Information: The research was carried out using the computing resources of the Resource Center ?Computing Center of St. Petersburg State University? (http://cc.spbu.ru). Publisher Copyright: © 2020, Pleiades Publishing, Ltd. Copyright: Copyright 2020 Elsevier B.V., All rights reserved.

PY - 2020/9/1

Y1 - 2020/9/1

N2 - Abstract: The diffusion coefficients of Li+ and Na+ ions in glass and glass-forming melts of lithium and sodium niobium phosphates, which are in satisfactory agreement with the experimental data available in the literature, are obtained by the molecular dynamics method. The nonlinear change in the migration parameters (manifestation of the mixed alkali effect) is confirmed at the equivalent replacement of Li+ ions by Na+ ions in this system. The analysis of the radial pair correlation functions demonstrates an increased formation of lithium-sodium ionic pairs in bimetallic compositions, responsible for manifestation of the mixed alkali effect.

AB - Abstract: The diffusion coefficients of Li+ and Na+ ions in glass and glass-forming melts of lithium and sodium niobium phosphates, which are in satisfactory agreement with the experimental data available in the literature, are obtained by the molecular dynamics method. The nonlinear change in the migration parameters (manifestation of the mixed alkali effect) is confirmed at the equivalent replacement of Li+ ions by Na+ ions in this system. The analysis of the radial pair correlation functions demonstrates an increased formation of lithium-sodium ionic pairs in bimetallic compositions, responsible for manifestation of the mixed alkali effect.

KW - diffusion coefficient

KW - glass

KW - glass-forming melt

KW - lithium and sodium niobium phosphates

KW - mixed alkali effect

KW - molecular dynamics

KW - radial distribution function

KW - MOLECULAR-DYNAMICS

KW - CONDUCTIVITY

KW - MD

KW - DIFFUSION

UR - http://www.scopus.com/inward/record.url?scp=85092714470&partnerID=8YFLogxK

U2 - 10.1134/S1087659620050065

DO - 10.1134/S1087659620050065

M3 - Article

AN - SCOPUS:85092714470

VL - 46

SP - 405

EP - 409

JO - Glass Physics and Chemistry

JF - Glass Physics and Chemistry

SN - 1087-6596

IS - 5

ER -

ID: 70794043