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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 et al.
In: Journal of Alloys and Compounds, Vol. 786, 25.05.2019, p. 953-959.

Research output: Contribution to journal › Article › peer-review

Harvard

Rakhmatullin, A, Machado, K, Zanghi, D, Polovov, IB, Bakirov, R, Maksimtsev, KV & Bessada, C 2019, 'Study of the NaF-ScF 3 system as a molten bath for production of Sc alloys: A combination of NMR and molecular dynamics simulations', Journal of Alloys and Compounds, vol. 786, pp. 953-959. https://doi.org/10.1016/j.jallcom.2019.02.057

APA

Rakhmatullin, A., Machado, K., Zanghi, D., Polovov, I. B., Bakirov, R., Maksimtsev, K. V., & Bessada, C. (2019). Study of the NaF-ScF 3 system as a molten bath for production of Sc alloys: A combination of NMR and molecular dynamics simulations. Journal of Alloys and Compounds, 786, 953-959. https://doi.org/10.1016/j.jallcom.2019.02.057

Vancouver

Rakhmatullin A, Machado K, Zanghi D, Polovov IB, Bakirov R, Maksimtsev KV et al. Study of the NaF-ScF 3 system as a molten bath for production of Sc alloys: A combination of NMR and molecular dynamics simulations. Journal of Alloys and Compounds. 2019 May 25;786:953-959. doi: 10.1016/j.jallcom.2019.02.057

Author

Rakhmatullin, Aydar ; Machado, Kelly ; Zanghi, Didier et al. / Study of the NaF-ScF 3 system as a molten bath for production of Sc alloys: A combination of NMR and molecular dynamics simulations. In: Journal of Alloys and Compounds. 2019 ; Vol. 786. pp. 953-959.

BibTeX

@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 = may,
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.",

}

RIS

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

AN - SCOPUS:85061112006

VL - 786

SP - 953

EP - 959

JO - Journal of Alloys and Compounds

JF - Journal of Alloys and Compounds

SN - 0925-8388

ER -

ID: 9059856