Modeling self-diffusion in UO2 and ThO2 by connecting point defect parameters with bulk properties

A. Chroneos; R.V. Vovk

doi:10.1016/j.ssi.2015.02.010

Modeling self-diffusion in UO2 and ThO2 by connecting point defect parameters with bulk properties

A. Chroneos, R.V. Vovk

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

70 Citations (Scopus)

Abstract

The understanding of oxygen self-diffusion over a range of temperatures is important in UO2 and ThO2 particularly for nuclear fuel applications. A way to realize this is by the cBΩ model in which the defect Gibbs energy is proportional to the isothermal bulk modulus (B) and the mean volume per atom (Ω). In the present study elastic and expansivity data is used in the framework of the cBΩ model to derive the oxygen self-diffusion coefficient in UO2 and ThO2 in the temperature range of 2000 K to 3000 K. The derived results are in excellent agreement with the most recent experimental and theoretical data.

Original language	English
Pages (from-to)	1-3
Journal	Solid State Ionics
Volume	274
Issue number	June 2015
Early online date	3 Mar 2015
DOIs	https://doi.org/10.1016/j.ssi.2015.02.010
Publication status	Published - Jun 2015

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This article is not available on the repository

Keywords

ThO2
UO2
Self-diffusion

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10.1016/j.ssi.2015.02.010

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title = "Modeling self-diffusion in UO2 and ThO2 by connecting point defect parameters with bulk properties",

abstract = "The understanding of oxygen self-diffusion over a range of temperatures is important in UO2 and ThO2 particularly for nuclear fuel applications. A way to realize this is by the cBΩ model in which the defect Gibbs energy is proportional to the isothermal bulk modulus (B) and the mean volume per atom (Ω). In the present study elastic and expansivity data is used in the framework of the cBΩ model to derive the oxygen self-diffusion coefficient in UO2 and ThO2 in the temperature range of 2000 K to 3000 K. The derived results are in excellent agreement with the most recent experimental and theoretical data.",

keywords = "ThO2, UO2, Self-diffusion",

author = "A. Chroneos and R.V. Vovk",

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T1 - Modeling self-diffusion in UO2 and ThO2 by connecting point defect parameters with bulk properties

AU - Chroneos, A.

AU - Vovk, R.V.

N1 - This article is not available on the repository

PY - 2015/6

Y1 - 2015/6

N2 - The understanding of oxygen self-diffusion over a range of temperatures is important in UO2 and ThO2 particularly for nuclear fuel applications. A way to realize this is by the cBΩ model in which the defect Gibbs energy is proportional to the isothermal bulk modulus (B) and the mean volume per atom (Ω). In the present study elastic and expansivity data is used in the framework of the cBΩ model to derive the oxygen self-diffusion coefficient in UO2 and ThO2 in the temperature range of 2000 K to 3000 K. The derived results are in excellent agreement with the most recent experimental and theoretical data.

AB - The understanding of oxygen self-diffusion over a range of temperatures is important in UO2 and ThO2 particularly for nuclear fuel applications. A way to realize this is by the cBΩ model in which the defect Gibbs energy is proportional to the isothermal bulk modulus (B) and the mean volume per atom (Ω). In the present study elastic and expansivity data is used in the framework of the cBΩ model to derive the oxygen self-diffusion coefficient in UO2 and ThO2 in the temperature range of 2000 K to 3000 K. The derived results are in excellent agreement with the most recent experimental and theoretical data.

KW - ThO2

KW - UO2

KW - Self-diffusion

U2 - 10.1016/j.ssi.2015.02.010

DO - 10.1016/j.ssi.2015.02.010

M3 - Article

VL - 274

SP - 1

EP - 3

JO - Solid State Ionics

JF - Solid State Ionics

SN - 0167-2738

IS - June 2015

ER -

Modeling self-diffusion in UO2 and ThO2 by connecting point defect parameters with bulk properties

Abstract

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Keywords

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