Study of the NaF-ScF 3 system as a molten bath for production of Sc alloys: A combination of NMR and molecular dynamics simulations

Aydar Rakhmatullin, Kelly Machado, Didier Zanghi, Ilya B. Polovov, Rinat Bakirov, Konstantin V. Maksimtsev, Catherine Bessada

Результат исследований: Вклад в журналСтатьяНаучно-исследовательскаярецензирование

Язык оригиналаАнглийский
Страницы (с-по)953-959
Число страниц7
ЖурналJournal of Alloys and Compounds
Том786
DOI
СостояниеОпубликовано - 25 мая 2019

Отпечаток

Molecular dynamics
Molten materials
Nuclear magnetic resonance
Density functional theory
Computer simulation
Chemical shift
Nuclear magnetic resonance spectroscopy
Statistical methods
Polymerization
Trajectories
Ions
Chemical analysis
Temperature
Electric Conductivity

Ключевые слова

    Предметные области ASJC Scopus

    • Mechanics of Materials
    • Mechanical Engineering
    • Metals and Alloys
    • Materials Chemistry

    Предметные области WoS

    • Химия, Физическая
    • Материаловедение, Междисциплинарные труды
    • Металловедение и Металлургия

    Цитировать

    @article{b8414cfa1c7a430db6f48d8ac5714a0e,
    title = "Study of the NaF-ScF 3 system as a molten bath for production of Sc alloys: A combination of NMR and molecular dynamics simulations",
    keywords = "DFT, High temperature NMR, Molecular dynamics, Molten salts, Scandium fluorides, SODIUM, SCANDIUM, TOTAL-ENERGY CALCULATIONS, NAF-AIF(3) MELTS, LOCAL-STRUCTURE, SALTS, FLUORIDES, SPECTROSCOPY, LANTHANIDE, DENSITY-FUNCTIONAL THEORY",
    author = "Aydar Rakhmatullin and Kelly Machado and Didier Zanghi and Polovov, {Ilya B.} and Rinat Bakirov and Maksimtsev, {Konstantin V.} and Catherine Bessada",
    year = "2019",
    month = "5",
    day = "25",
    doi = "10.1016/j.jallcom.2019.02.057",
    language = "English",
    volume = "786",
    pages = "953--959",
    journal = "Journal of Alloys and Compounds",
    issn = "0925-8388",
    publisher = "Elsevier Inc.",

    }

    Study of the NaF-ScF 3 system as a molten bath for production of Sc alloys: A combination of NMR and molecular dynamics simulations. / Rakhmatullin, Aydar; Machado, Kelly; Zanghi, Didier; Polovov, Ilya B.; Bakirov, Rinat; Maksimtsev, Konstantin V.; Bessada, Catherine.

    В: Journal of Alloys and Compounds, Том 786, 25.05.2019, стр. 953-959.

    Результат исследований: Вклад в журналСтатьяНаучно-исследовательскаярецензирование

    TY - JOUR

    T1 - Study of the NaF-ScF 3 system as a molten bath for production of Sc alloys: A combination of NMR and molecular dynamics simulations

    AU - Rakhmatullin, Aydar

    AU - Machado, Kelly

    AU - Zanghi, Didier

    AU - Polovov, Ilya B.

    AU - Bakirov, Rinat

    AU - Maksimtsev, Konstantin V.

    AU - Bessada, Catherine

    PY - 2019/5/25

    Y1 - 2019/5/25

    KW - DFT

    KW - High temperature NMR

    KW - Molecular dynamics

    KW - Molten salts

    KW - Scandium fluorides

    KW - SODIUM

    KW - SCANDIUM

    KW - TOTAL-ENERGY CALCULATIONS

    KW - NAF-AIF(3) MELTS

    KW - LOCAL-STRUCTURE

    KW - SALTS

    KW - FLUORIDES

    KW - SPECTROSCOPY

    KW - LANTHANIDE

    KW - DENSITY-FUNCTIONAL THEORY

    UR - http://www.scopus.com/inward/record.url?scp=85061112006&partnerID=8YFLogxK

    UR - https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=tsmetrics&SrcApp=tsm_test&DestApp=WOS_CPL&DestLinkType=FullRecord&KeyUT=000461778600112

    U2 - 10.1016/j.jallcom.2019.02.057

    DO - 10.1016/j.jallcom.2019.02.057

    M3 - Article

    VL - 786

    SP - 953

    EP - 959

    JO - Journal of Alloys and Compounds

    JF - Journal of Alloys and Compounds

    SN - 0925-8388

    ER -