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Schreuder, Maarten B.J.W. (author), Ocadiz flores, J.A. (author), Gheribi, Aimen E. (author), Beneš, Ondrej (author), Griveau, Jean Christophe (author), Colineau, Eric (author), Konings, R. (author), Smith, A.L. (author)
The structural, thermochemical, and thermophysical properties of the NaF-ThF4 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 expansion, mixing enthalpy, heat capacity, and...
journal article 2021
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Ocadiz flores, J.A. (author), Carré, E. (author), Griveau, J. C. (author), Colineau, E. (author), Capelli, E. (author), Souček, P. (author), Beneš, O. (author), Smith, A.L. (author)
A thermodynamic assessment of the KF-ThF<sub>4</sub> binary system using the CALPHAD method is presented, where the liquid solution is described by the modified quasichemical formalism in the quadruplet approximation. The optimization of the phase diagram is based on experimental data reported in the literature and newly measured X-ray...
journal article 2020