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Accommodation of tin in tetragonal ZrO2

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Accommodation of tin in tetragonal ZrO2. / Bell, B. D. C.; Murphy, S. T.; Burr, P. A. et al.
In: Journal of Applied Physics, Vol. 117, No. 8, 084901, 28.02.2015.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Harvard

Bell, BDC, Murphy, ST, Burr, PA, Grimes, RW & Wenman, MR 2015, 'Accommodation of tin in tetragonal ZrO2', Journal of Applied Physics, vol. 117, no. 8, 084901. https://doi.org/10.1063/1.4909505

APA

Bell, B. D. C., Murphy, S. T., Burr, P. A., Grimes, R. W., & Wenman, M. R. (2015). Accommodation of tin in tetragonal ZrO2. Journal of Applied Physics, 117(8), Article 084901. https://doi.org/10.1063/1.4909505

Vancouver

Bell BDC, Murphy ST, Burr PA, Grimes RW, Wenman MR. Accommodation of tin in tetragonal ZrO2. Journal of Applied Physics. 2015 Feb 28;117(8):084901. doi: 10.1063/1.4909505

Author

Bell, B. D. C. ; Murphy, S. T. ; Burr, P. A. et al. / Accommodation of tin in tetragonal ZrO2. In: Journal of Applied Physics. 2015 ; Vol. 117, No. 8.

Bibtex

@article{a5f2451714cb48cdb3f7405768d4a626,
title = "Accommodation of tin in tetragonal ZrO2",
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.",
keywords = "X-RAY-DIFFRACTION, TEMPERATURE PHASE-DIAGRAM, AB-INITIO CALCULATIONS, OXIDE LAYERS, METAL/OXIDE INTERFACE, ZIRCONIUM ALLOYS, CORROSION RATE, CYCLIC NATURE, OXIDATION, ZIRCALOY-4",
author = "Bell, {B. D. C.} and Murphy, {S. T.} and Burr, {P. A.} and Grimes, {R. W.} and Wenman, {M. R.}",
year = "2015",
month = feb,
day = "28",
doi = "10.1063/1.4909505",
language = "English",
volume = "117",
journal = "Journal of Applied Physics",
issn = "0021-8979",
publisher = "AMER INST PHYSICS",
number = "8",

}

RIS

TY - JOUR

T1 - Accommodation of tin in tetragonal ZrO2

AU - Bell, B. D. C.

AU - Murphy, S. T.

AU - Burr, P. A.

AU - Grimes, R. W.

AU - Wenman, M. R.

PY - 2015/2/28

Y1 - 2015/2/28

N2 - 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.

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-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.

KW - X-RAY-DIFFRACTION

KW - TEMPERATURE PHASE-DIAGRAM

KW - AB-INITIO CALCULATIONS

KW - OXIDE LAYERS

KW - METAL/OXIDE INTERFACE

KW - ZIRCONIUM ALLOYS

KW - CORROSION RATE

KW - CYCLIC NATURE

KW - OXIDATION

KW - ZIRCALOY-4

U2 - 10.1063/1.4909505

DO - 10.1063/1.4909505

M3 - Journal article

VL - 117

JO - Journal of Applied Physics

JF - Journal of Applied Physics

SN - 0021-8979

IS - 8

M1 - 084901

ER -