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@article{Bell:2015:10.1063/1.4909505,
author = {Bell, BDC and Murphy, ST and Burr, PA and Grimes, RW and Wenman, MR},
doi = {10.1063/1.4909505},
journal = {Journal of Applied Physics},
pages = {1--7},
title = {Accommodation of tin in tetragonal ZrO2},
url = {http://dx.doi.org/10.1063/1.4909505},
volume = {117},
year = {2015}
}

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TY  - JOUR
AB  - Atomic scale computer simulations using density functional theory were used to investigate the behaviour of tin in the tetragonal phase oxide layer on Zr-based alloys. The Sn×ZrSnZr× defect was shown to be dominant across most oxygen partial pressures, with Sn′′ZrSnZr″ charge compensated by VOVO•• occurring at partial pressures below 10−31 atm. Insertion of additional positive charge into the system was shown to significantly increase the critical partial pressure at which Sn′′ZrSnZr″ is stable. Recently developed low-Sn nuclear fuel cladding alloys have demonstrated an improved corrosion resistance and a delayed transition compared to Sn-containing alloys, such as Zircaloy-4. The interaction between the positive charge and the tin defect is discussed in the context of alloying additions, such as niobium and their influence on corrosion of cladding alloys.
AU  - Bell,BDC
AU  - Murphy,ST
AU  - Burr,PA
AU  - Grimes,RW
AU  - Wenman,MR
DO  - 10.1063/1.4909505
EP  - 7
PY  - 2015///
SN  - 0021-8979
SP  - 1
TI  - Accommodation of tin in tetragonal ZrO2
T2  - Journal of Applied Physics
UR  - http://dx.doi.org/10.1063/1.4909505
UR  - https://aip.scitation.org/doi/10.1063/1.4909505
UR  - http://hdl.handle.net/10044/1/32889
VL  - 117
ER  -

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