Modelling oxygen self-diffusion in UO2 under pressure

M.W.D. Cooper; R.W. Grimes; Michael E. Fitzpatrick; Alexander Chroneos

doi:10.1016/j.ssi.2015.09.006

Modelling oxygen self-diffusion in UO2 under pressure

M.W.D. Cooper, R.W. Grimes, Michael E. Fitzpatrick, Alexander Chroneos

Faculty of Engineering, Environment & Computing

Research output: Contribution to journal › Article › peer-review

46 Citations (Scopus)

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Abstract

Access to values for oxygen self-diffusion over a range of temperatures and pressures in UO2 is important to nuclear fuel applications. Here, elastic and expansivity data is used in the framework of a thermodynamic model, the cBΩ model, to derive the oxygen self-diffusion coefficient in UO2 over a range of pressures (0 to 10 GPa) and temperatures (300 K to 1900 K). The significant reduction in oxygen self-diffusion as a function of increasing hydrostatic pressure, and the associated increase in activation energy, is identified.

Original language	English
Pages (from-to)	26-30
Journal	Solid State Ionics
Volume	282
Early online date	22 Oct 2015
DOIs	https://doi.org/10.1016/j.ssi.2015.09.006
Publication status	Published - 1 Dec 2015

Bibliographical note

NOTICE: this is the author’s version of a work that was accepted for publication in Solid State Ionics. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Solid State Ionics, [VOL 282, (2015)] DOI: 10.1016/j.ssi.2015.09.006

© 2015, Elsevier. Licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International http://creativecommons.org/licenses/by-nc-nd/4.0/

Keywords

UO2
pressure
self-diffusion
molecular dynamics

Access to Document

10.1016/j.ssi.2015.09.006

SSI-D-15-00356R1-1Accepted author manuscript, 1.78 MBLicence: CC BY-NC-ND

Cite this

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title = "Modelling oxygen self-diffusion in UO2 under pressure",

abstract = "Access to values for oxygen self-diffusion over a range of temperatures and pressures in UO2 is important to nuclear fuel applications. Here, elastic and expansivity data is used in the framework of a thermodynamic model, the cBΩ model, to derive the oxygen self-diffusion coefficient in UO2 over a range of pressures (0 to 10 GPa) and temperatures (300 K to 1900 K). The significant reduction in oxygen self-diffusion as a function of increasing hydrostatic pressure, and the associated increase in activation energy, is identified. ",

keywords = "UO2, pressure, self-diffusion, molecular dynamics",

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doi = "10.1016/j.ssi.2015.09.006",

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AU - Cooper, M.W.D.

AU - Grimes, R.W.

AU - Fitzpatrick, Michael E.

AU - Chroneos, Alexander

N1 - NOTICE: this is the author’s version of a work that was accepted for publication in Solid State Ionics. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Solid State Ionics, [VOL 282, (2015)] DOI: 10.1016/j.ssi.2015.09.006 © 2015, Elsevier. Licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International http://creativecommons.org/licenses/by-nc-nd/4.0/

PY - 2015/12/1

Y1 - 2015/12/1

N2 - Access to values for oxygen self-diffusion over a range of temperatures and pressures in UO2 is important to nuclear fuel applications. Here, elastic and expansivity data is used in the framework of a thermodynamic model, the cBΩ model, to derive the oxygen self-diffusion coefficient in UO2 over a range of pressures (0 to 10 GPa) and temperatures (300 K to 1900 K). The significant reduction in oxygen self-diffusion as a function of increasing hydrostatic pressure, and the associated increase in activation energy, is identified.

AB - Access to values for oxygen self-diffusion over a range of temperatures and pressures in UO2 is important to nuclear fuel applications. Here, elastic and expansivity data is used in the framework of a thermodynamic model, the cBΩ model, to derive the oxygen self-diffusion coefficient in UO2 over a range of pressures (0 to 10 GPa) and temperatures (300 K to 1900 K). The significant reduction in oxygen self-diffusion as a function of increasing hydrostatic pressure, and the associated increase in activation energy, is identified.

KW - UO2

KW - pressure

KW - self-diffusion

KW - molecular dynamics

U2 - 10.1016/j.ssi.2015.09.006

DO - 10.1016/j.ssi.2015.09.006

M3 - Article

SN - 0167-2738

VL - 282

SP - 26

EP - 30

JO - Solid State Ionics

JF - Solid State Ionics

ER -

Modelling oxygen self-diffusion in UO2 under pressure

Abstract

Bibliographical note

Keywords

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