Conditions Extrêmes et Matériaux : Haute Température et Irradiation
CEMHTI - UPR3079 CNRS

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Publications CEMHTI


Modélisation: in situ, in silico
Computational approach : in situ, in silico

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Group by 4 records found
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Kelly Machado, Didier Zanghi, Mathieu Salanne, Catherine Bessada, 'Structural, Dynamic, and Thermodynamic Study of KF−AlF3 Melts by Combining High-Temperature NMR and Molecular Dynamics Simulations', J. Mater. Chem. C, 123 2147-2156 (2019) doi:10.1021/acs.jpcc.8b11907 - 5 citations (WoS)

ACL

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Aydar Rakhmatullin, Kelly Machado, Didier Zanghi, Ilya B.Polovov, Rinat Bakirov, Konstantin V.Maksimtsev, Catherine Bessada, 'Study of the NaF-ScF3 system as a molten bath for production of Sc alloys: a combination of NMR and Molecular Dynamics simulations', J. Alloy Compd., 786 953-959 (2019) doi:10.1016/j.jallcom.2019.02.057 - 7 citations (WoS)

ACL

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K.Machado, D.Zanghi, M.Salanne, V.Stabrowski, C.Bessada, 'Anionic Structure in Molten Cryolite–Alumina Systems', J. Phys. Chem. C, 122 21807-21816 (2018) doi:10.1021/acs.jpcc.8b06905 - 10 citations (WoS)

ACL

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Aïmen E.Gheribi, Kelly Machado, Didier Zanghi, Catherine Bessada, Mathieu Salanne, Patrice Chartrand, 'On the determination of ion transport numbers in molten salts using molecular dynamics', Electrochim. Acta, 274 266–273 (2018) doi:10.1016/j.electacta.2018.04.094 - 16 citations (WoS)