Experimental and Computational Exploration of the NaF-ThF 4 Fuel System: Structure and Thermochemistry

The structural, thermochemical, and thermophysical properties of the NaF-ThF fuel system were studied with experimental methods and molecular dynamics (MD) simulations. Equilibrium MD (EMD) simulations using the polarizable ion model were performed to calculate the density, molar volume, thermal exp...

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Veröffentlicht in:	The journal of physical chemistry. B 2021-08, Vol.125 (30), p.8558-8571
Hauptverfasser:	Schreuder, Maarten B J W, Ocádiz Flores, Jaén A, Gheribi, Aimen E, Beneš, Ondrej, Griveau, Jean-Christophe, Colineau, Eric, Konings, Rudy J M, Smith, Anna Louise
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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