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Full-Text Articles in Nuclear Engineering
Thermodynamic Modeling Of Uranium And Oxygen Containing Ternary Systems With Gadolinium, Lanthanum, And Thorium, Jacob Wesley Mcmurray
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 UO2±x [urania] is extended to represent the complex U1-yMyO2±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 U1-yMyO2±x [urania solid solution phase] while U6+ [uranium 6 plus cation] is introduced into the …