Cu and Sb in tetragonal ZrO2 on fuel cladding
File(s)JAP20-AR-04362.pdf (1.75 MB)
Accepted version
Author(s)
Than, YR
Wenman, MR
Grimes, RW
Type
Journal Article
Abstract
Atomic scale simulations were used to predict defect formation in tetragonal ZrO2 doped with Cu and Sb. Both dopants form strong associations with oxygen vacancies impeding oxygen progression through the oxide. Sb suppresses the free oxygen vacancy population though Cu increases the concentration. Thus, while the addition of Sb is predicted to be beneficial against corrosion, Cu will show a more complex behavior. Previous simulations showed that Ni0 promotes molecular hydrogen dissociation. Neither Cu nor Sb exhibit this behavior despite Cu+ having the same electronic configuration as Ni0. Both Cu and Sb show a favorable response to applied local space charges.
Date Issued
2020-10-07
Date Acceptance
2020-09-01
Citation
Journal of Applied Physics, 2020, 128 (13), pp.135101-135101
ISSN
0021-8979
Publisher
AIP Publishing
Start Page
135101
End Page
135101
Journal / Book Title
Journal of Applied Physics
Volume
128
Issue
13
Copyright Statement
© 2020 Author(s). This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in Cite as: J. Appl. Phys. 128, 135101 (2020); https://doi.org/10.1063/5.0021174
Identifier
https://aip.scitation.org/doi/10.1063/5.0021174
Subjects
Applied Physics
01 Mathematical Sciences
02 Physical Sciences
09 Engineering
Publication Status
Published
Date Publish Online
2020-10-01