A combined experimental and computational thermodynamic investigation of the U-Th-O system
Here, the thermodynamics of the U–Th–O system have been assessed using the Calphad method. The compound energy formalism (CEF) and a partially ionic two-sublattice liquid model (TSLM) were used for the fluorite U 1–yTh yO 2±x, γ-(U,Th) 4O 9, and the U–Th–O melt. The O 2 activity of fluorite U 1–yTh yO 2±x with temperature and composition was determined by thermogravimetric analysis. Thermodynamic studies for the Th–O binary and U–Th–O ternary available in the open literature were critically reviewed. A self-consistent data set was selected and compiled with the equilibrium oxygen pressures determined by thermogravimetry in order to optimize the adjustable parameters of models selected to represent the phases in the Th–O and U–Th–O systems.
- Authors:
-
[1]
; [2]
; [3]
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Univ. of South Carolina, Columbia, SC (United States)
- Publication Date:
- Grant/Contract Number:
- AC05-00OR22725
- Type:
- Accepted Manuscript
- Journal Name:
- Journal of the American Ceramic Society
- Additional Journal Information:
- Journal Volume: 99; Journal Issue: 6; Journal ID: ISSN 0002-7820
- Publisher:
- American Ceramic Society
- Research Org:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). High Temperature Materials Lab. (HTML)
- Sponsoring Org:
- USDOE Office of Nuclear Energy (NE)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
- OSTI Identifier:
- 1261257
McMurray, Jake Wesley, Voit, Stewart L., and Besmann, Theodore M.. A combined experimental and computational thermodynamic investigation of the U-Th-O system. United States: N. p.,
Web. doi:10.1111/jace.14180.
McMurray, Jake Wesley, Voit, Stewart L., & Besmann, Theodore M.. A combined experimental and computational thermodynamic investigation of the U-Th-O system. United States. doi:10.1111/jace.14180.
McMurray, Jake Wesley, Voit, Stewart L., and Besmann, Theodore M.. 2016.
"A combined experimental and computational thermodynamic investigation of the U-Th-O system". United States.
doi:10.1111/jace.14180. https://www.osti.gov/servlets/purl/1261257.
@article{osti_1261257,
title = {A combined experimental and computational thermodynamic investigation of the U-Th-O system},
author = {McMurray, Jake Wesley and Voit, Stewart L. and Besmann, Theodore M.},
abstractNote = {Here, the thermodynamics of the U–Th–O system have been assessed using the Calphad method. The compound energy formalism (CEF) and a partially ionic two-sublattice liquid model (TSLM) were used for the fluorite U1–yThyO2±x, γ-(U,Th)4O9, and the U–Th–O melt. The O2 activity of fluorite U1–yThyO2±x with temperature and composition was determined by thermogravimetric analysis. Thermodynamic studies for the Th–O binary and U–Th–O ternary available in the open literature were critically reviewed. A self-consistent data set was selected and compiled with the equilibrium oxygen pressures determined by thermogravimetry in order to optimize the adjustable parameters of models selected to represent the phases in the Th–O and U–Th–O systems.},
doi = {10.1111/jace.14180},
journal = {Journal of the American Ceramic Society},
number = 6,
volume = 99,
place = {United States},
year = {2016},
month = {3}
}
- Free Publicly Accessible Full Text
-
Accepted Manuscript (DOE)
- Publisher's Version of Record
- https://doi.org/10.1111/jace.14180