Access to values for oxygen self-diffusion over a range of temperatures and pressures in UO2 is important to nuclear fuel applications. Here, elastic and expansivity data is used in the framework of a thermodynamic model, the cBΩ model, to derive the oxygen self-diffusion coefficient in UO2 over a range of pressures (0 to 10 GPa) and temperatures (300 K to 1900 K). The significant reduction in oxygen self-diffusion as a function of increasing hydrostatic pressure, and the associated increase in activation energy, is identified.
Bibliographical noteNOTICE: this is the author’s version of a work that was accepted for publication in Solid State Ionics. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Solid State Ionics, [VOL 282, (2015)] DOI: 10.1016/j.ssi.2015.09.006
© 2015, Elsevier. Licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International http://creativecommons.org/licenses/by-nc-nd/4.0/
- molecular dynamics
Cooper, M. W. D., Grimes, R. W., Fitzpatrick, M. E., & Chroneos, A. (2015). Modelling oxygen self-diffusion in UO2 under pressure. Solid State Ionics, 282, 26-30. https://doi.org/10.1016/j.ssi.2015.09.006