Data related to the article "Molecular dynamics simulations for the prediction of thermophysical properties of plutonium-based molten salts"

Contains input files and data used to generate the figures of the article: Molecular dynamics simulations for the prediction of thermophysical properties of plutonium-based molten salts(Giovanni Pireddu*, Mirella Simoes Santos*, David Lambertin, Timothée Kooyman)*:Equal contribution Journal of Nuclear MaterialsDOI: https://doi.org/10.1016/j.jnucmat.2024.155124 The folder EXAMPLE_INPUT_FILES contains typical MetalWalls(https://doi.org/10.21105/joss.02373) (repository(https://gitlab.com/ampere2/metalwalls)) input files used to perform the molecular simulations. The folder DATA_FIGURES contains the processed data used to plot the figures of the paper (see below). Figure 2:- 'Fig2_Density.dat' : density as a function of temperature (binary system, calculated from MD simulations) Figure 3:- 'Fig3_HCap.dat' : heat capacity as a function of temperature (binary system, calculated from MD simulations) Figure 4:- 'Fig4_Density.dat' : density as a function of temperature (ternary system, calculated from MD simulations)