Thermodynamic assessment of the U–Y–O system

Journal Article · Tue Feb 03 00:00:00 EST 2015 · Journal of Nuclear Materials

DOI:https://doi.org/10.1016/j.jnucmat.2015.01.047· OSTI ID:1185683

Brese, R. G. ^[1]; McMurray, J. W. ^[1]; Shin, D. ^[1]; Besmann, T. M. ^[1]

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1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

We developed a CALPHAD assessment of the U-Y-O system. To represent the YO2 compound in the compound energy formalism (CEF) for U_1-yY_yO_{2± x}, the lattice stability was calculated using density functional theory (DFT) while a partially ionic liquid sub-lattice model is used to describe the liquid phase. Moreover, a Gibbs function for the stoichiometric rhombohedral UY₆O₁₂ phase is proposed. Models representing the phases in the U-O and Y-O systems taken from the literature along with the phases that appear in the U-Y-O ternary are combined to form a unified assessment.

• Research Organization: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). High Temperature Materials Lab. (HTML)
• Sponsoring Organization: USDOE Office of Nuclear Energy (NE)
• Grant/Contract Number: AC05-00OR22725
• OSTI ID: 1185683
• Alternate ID(s): OSTI ID: 1252370
• Journal Information: Journal of Nuclear Materials, Vol. 460, Issue C; ISSN 0022-3115
• Publisher: Elsevier
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS