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• W3124456075 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 $Sn_{Zr}^{times}$ site defect was shown to be dominant across most oxygen partial pressures, with $Sn_{Zr}^{}$ charge compensated by fully charged oxygen vacancies 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." @default.
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• W3124456075 date "2015-02-24" @default.
• W3124456075 modified "2023-10-08" @default.
• W3124456075 title "Accommodation of tin in tetragonal ZrO2" @default.
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• W3124456075 doi "https://doi.org/10.1063/1.4909505" @default.
• W3124456075 hasPublicationYear "2015" @default.
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