Imperial College London
Alternate

DrMarkWenman

Faculty of Engineering, Department of Materials

Reader in Nuclear Materials
 
 
 
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Contact

 

+44 (0)20 7594 6763m.wenman

 
 
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Location

 

B301aRoyal School of MinesSouth Kensington Campus

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Summary

 

Publications

Citation

BibTex format

@article{Than:2020:10.1063/5.0021174,
author = {Than, YR and Wenman, MR and Grimes, RW},
doi = {10.1063/5.0021174},
journal = {Journal of Applied Physics},
pages = {135101--135101},
title = {Cu and Sb in tetragonal ZrO2 on fuel cladding},
url = {http://dx.doi.org/10.1063/5.0021174},
volume = {128},
year = {2020}
}
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RIS format (EndNote, RefMan)

TY  - JOUR
AB  - 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.
AU  - Than,YR
AU  - Wenman,MR
AU  - Grimes,RW
DO  - 10.1063/5.0021174
EP  - 135101
PY  - 2020///
SN  - 0021-8979
SP  - 135101
TI  - Cu and Sb in tetragonal ZrO2 on fuel cladding
T2  - Journal of Applied Physics
UR  - http://dx.doi.org/10.1063/5.0021174
UR  - https://aip.scitation.org/doi/10.1063/5.0021174
UR  - http://hdl.handle.net/10044/1/83084
VL  - 128
ER  -
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