LAUSR

Abstract The effect of the addition of americium on the thermophysical properties of uranium dioxide (UO2) has been systematically studied by molecular dynamics (MD) simulation technique in the whole concentration range of americium and the temperature range from 300 K to 3200 K. The predicted thermophysical properties for (UxAm1−x)O2 solid solutions agree well with the available experimental data. The lattice parameters decreased with the increase in americium concentration and obey Vegard's law up to 2000 K. There is no significant change in the enthalpy, heat capacity, lattice expansion, and thermal conductivity as we increased the concentration of americium. Overall, a series of empirical models are derived for the thermophysical properties of (UxAm1−x)O2 MOX fuel based on the MD data.