Heat-transport properties of molten fluorides: Determination from first-principles

The construction of an interaction potential for mixtures of LiF, NaF, KF and ZrF 4 on a purely first-principles basis is described. Many-body interactions are included via a polarization term. The predictions of the heat-transfer properties of two mixtures, LiF-NaF-KF (FLiNa...

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Main Authors: Salanne, M, Simon, C, Turq, P, Madden, P
Format: Journal article
Jezik:English
Izdano: 2009