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Title: Thermodynamic calculations of oxygen self-diffusion in mixed-oxide nuclear fuels

Abstract

Mixed-oxide fuels containing uranium with thorium and/or plutonium may play an important part in future nuclear fuel cycles. There are, however, significantly less data available for these materials than conventional uranium dioxide fuel. In the present study, we employ molecular dynamics calculations to simulate the elastic properties and thermal expansivity of a range of mixed oxide compositions. These are then used to support equations of state and oxygen self-diffusion models to provide a self-consistent prediction of the behaviour of these mixed oxide fuels at arbitrary compositions.

Authors:
 [1];  [2];  [3];  [1];  [1];  [1]
  1. Coventry Univ. Conventry (United Kingdom)
  2. Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Materials Science and Technology Division
  3. Imperial College, London (United Kingdom). Centre for Nuclear Engineering (CNE) & Department of Materials
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE Office of Nuclear Energy (NE)
OSTI Identifier:
1304728
Report Number(s):
LA-UR-16-23378
Journal ID: ISSN 2046-2069 (Electronic)
Grant/Contract Number:  
AC52-06NA25396
Resource Type:
Accepted Manuscript
Journal Name:
RSC Advances
Additional Journal Information:
Journal Volume: 6; Journal Issue: 78; Journal ID: ISSN 2046-2069 (Electronic)
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Parfitt, David C., Cooper, Michael William, Rushton, Michael J.D., Christopoulos, S. R., Fitzpatrick, M. E., and Chroneos, A. Thermodynamic calculations of oxygen self-diffusion in mixed-oxide nuclear fuels. United States: N. p., 2016. Web. doi:10.1039/C6RA14424A.
Parfitt, David C., Cooper, Michael William, Rushton, Michael J.D., Christopoulos, S. R., Fitzpatrick, M. E., & Chroneos, A. Thermodynamic calculations of oxygen self-diffusion in mixed-oxide nuclear fuels. United States. doi:10.1039/C6RA14424A.
Parfitt, David C., Cooper, Michael William, Rushton, Michael J.D., Christopoulos, S. R., Fitzpatrick, M. E., and Chroneos, A. Fri . "Thermodynamic calculations of oxygen self-diffusion in mixed-oxide nuclear fuels". United States. doi:10.1039/C6RA14424A. https://www.osti.gov/servlets/purl/1304728.
@article{osti_1304728,
title = {Thermodynamic calculations of oxygen self-diffusion in mixed-oxide nuclear fuels},
author = {Parfitt, David C. and Cooper, Michael William and Rushton, Michael J.D. and Christopoulos, S. R. and Fitzpatrick, M. E. and Chroneos, A.},
abstractNote = {Mixed-oxide fuels containing uranium with thorium and/or plutonium may play an important part in future nuclear fuel cycles. There are, however, significantly less data available for these materials than conventional uranium dioxide fuel. In the present study, we employ molecular dynamics calculations to simulate the elastic properties and thermal expansivity of a range of mixed oxide compositions. These are then used to support equations of state and oxygen self-diffusion models to provide a self-consistent prediction of the behaviour of these mixed oxide fuels at arbitrary compositions.},
doi = {10.1039/C6RA14424A},
journal = {RSC Advances},
number = 78,
volume = 6,
place = {United States},
year = {2016},
month = {7}
}

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Cited by: 7 works
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