Accommodation of tin in tetragonal ZrO2

Bell, B. D. C. and Murphy, S. T. and Burr, P. A. and Grimes, R. W. and Wenman, M. R. (2015) Accommodation of tin in tetragonal ZrO2. Journal of Applied Physics, 117 (8). ISSN 0021-8979

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Abstract

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-Zr(x) defect was shown to be dominant across most oxygen partial pressures, with Sn-Zr '' charge compensated by V-O(center dot center dot) 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-Zr '' 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. (C) 2015 AIP Publishing LLC.

Item Type:
Journal Article
Journal or Publication Title:
Journal of Applied Physics
Uncontrolled Keywords:
/dk/atira/pure/subjectarea/asjc/3100
Subjects:
ID Code:
125459
Deposited By:
Deposited On:
24 May 2018 12:56
Refereed?:
Yes
Published?:
Published
Last Modified:
16 Nov 2020 08:09