skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Thermodynamic assessment of the U–Y–O system

Abstract

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 UY 6O 12 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.

Authors:
 [1];  [1];  [1];  [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
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)
OSTI Identifier:
1185683
Alternate Identifier(s):
OSTI ID: 1252370
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Journal of Nuclear Materials
Additional Journal Information:
Journal Volume: 460; Journal Issue: C; Journal ID: ISSN 0022-3115
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS

Citation Formats

Brese, R. G., McMurray, J. W., Shin, D., and Besmann, T. M.. Thermodynamic assessment of the U–Y–O system. United States: N. p., 2015. Web. doi:10.1016/j.jnucmat.2015.01.047.
Brese, R. G., McMurray, J. W., Shin, D., & Besmann, T. M.. Thermodynamic assessment of the U–Y–O system. United States. doi:10.1016/j.jnucmat.2015.01.047.
Brese, R. G., McMurray, J. W., Shin, D., and Besmann, T. M.. Tue . "Thermodynamic assessment of the U–Y–O system". United States. doi:10.1016/j.jnucmat.2015.01.047. https://www.osti.gov/servlets/purl/1185683.
@article{osti_1185683,
title = {Thermodynamic assessment of the U–Y–O system},
author = {Brese, R. G. and McMurray, J. W. and Shin, D. and Besmann, T. M.},
abstractNote = {We developed a CALPHAD assessment of the U-Y-O system. To represent the YO2 compound in the compound energy formalism (CEF) for U1-yYyO2± 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.},
doi = {10.1016/j.jnucmat.2015.01.047},
journal = {Journal of Nuclear Materials},
number = C,
volume = 460,
place = {United States},
year = {Tue Feb 03 00:00:00 EST 2015},
month = {Tue Feb 03 00:00:00 EST 2015}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 4 works
Citation information provided by
Web of Science

Save / Share: