Nuclear Engineering Commons^™

Thermodynamic Modeling Of Uranium And Oxygen Containing Ternary Systems With Gadolinium, Lanthanum, And Thorium, Jacob Wesley Mcmurray

Doctoral Dissertations

The CALPHAD method is used to assess the thermodynamic properties and phase relations in the U-M-O system where M = Gd, La, and Th. A compound energy formalism (CEF) model for fluorite UO_2±x [urania] is extended to represent the complex U_1-yM_yO_2±x [urania solid solution] phases. The lattice stabilities for fictive GdO₂ [gadolinia] and LaO₂ [lanthana] fluorite structure compounds are calculated from density functional theory (DFT) for use in the CEF for U_1-yM_yO_2±x [urania solid solution phase] while U⁶⁺ [uranium 6 plus cation] is introduced into the …