Thermophysical properties of (UxAm1−x)O2 MOX fuel

Ericmoore Jossou; Linu Malakkal; Jayangani Ranasingh; Barbara Szpunar; Jerzy Szpunar

doi:10.1016/j.commatsci.2019.109324

Thermophysical properties of (U_xAm_1−x)O₂ MOX fuel

Ericmoore Jossou
, Linu Malakkal
, Jayangani Ranasingh
, Barbara Szpunar
, Jerzy Szpunar

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

18 Scopus citations

Abstract

The effect of the addition of americium on the thermophysical properties of uranium dioxide (UO₂) has been systematically studied by molecular dynamics (MD) simulation technique in the whole concentration range of americium and the temperature range from 300 K to 3200 K. The predicted thermophysical properties for (U_xAm_1−x)O₂ solid solutions agree well with the available experimental data. The lattice parameters decreased with the increase in americium concentration and obey Vegard's law up to 2000 K. There is no significant change in the enthalpy, heat capacity, lattice expansion, and thermal conductivity as we increased the concentration of americium. Overall, a series of empirical models are derived for the thermophysical properties of (U_xAm_1−x)O₂ MOX fuel based on the MD data.

Original language	English
Article number	109324
Journal	Computational Materials Science
Volume	172
DOIs	https://doi.org/10.1016/j.commatsci.2019.109324
State	Published - Feb 1 2020
Externally published	Yes

Keywords

MOX
Molecular dynamics
Nuclear fuel
Thermal conductivity
Uranium dioxide

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10.1016/j.commatsci.2019.109324

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title = "Thermophysical properties of (UxAm1−x)O2 MOX fuel",

abstract = "The effect of the addition of americium on the thermophysical properties of uranium dioxide (UO2) has been systematically studied by molecular dynamics (MD) simulation technique in the whole concentration range of americium and the temperature range from 300 K to 3200 K. The predicted thermophysical properties for (UxAm1−x)O2 solid solutions agree well with the available experimental data. The lattice parameters decreased with the increase in americium concentration and obey Vegard's law up to 2000 K. There is no significant change in the enthalpy, heat capacity, lattice expansion, and thermal conductivity as we increased the concentration of americium. Overall, a series of empirical models are derived for the thermophysical properties of (UxAm1−x)O2 MOX fuel based on the MD data.",

keywords = "MOX, Molecular dynamics, Nuclear fuel, Thermal conductivity, Uranium dioxide",

author = "Ericmoore Jossou and Linu Malakkal and Jayangani Ranasingh and Barbara Szpunar and Jerzy Szpunar",

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doi = "10.1016/j.commatsci.2019.109324",

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TY - JOUR

T1 - Thermophysical properties of (UxAm1−x)O2 MOX fuel

AU - Jossou, Ericmoore

AU - Malakkal, Linu

AU - Ranasingh, Jayangani

AU - Szpunar, Barbara

AU - Szpunar, Jerzy

PY - 2020/2/1

Y1 - 2020/2/1

N2 - The effect of the addition of americium on the thermophysical properties of uranium dioxide (UO2) has been systematically studied by molecular dynamics (MD) simulation technique in the whole concentration range of americium and the temperature range from 300 K to 3200 K. The predicted thermophysical properties for (UxAm1−x)O2 solid solutions agree well with the available experimental data. The lattice parameters decreased with the increase in americium concentration and obey Vegard's law up to 2000 K. There is no significant change in the enthalpy, heat capacity, lattice expansion, and thermal conductivity as we increased the concentration of americium. Overall, a series of empirical models are derived for the thermophysical properties of (UxAm1−x)O2 MOX fuel based on the MD data.

AB - The effect of the addition of americium on the thermophysical properties of uranium dioxide (UO2) has been systematically studied by molecular dynamics (MD) simulation technique in the whole concentration range of americium and the temperature range from 300 K to 3200 K. The predicted thermophysical properties for (UxAm1−x)O2 solid solutions agree well with the available experimental data. The lattice parameters decreased with the increase in americium concentration and obey Vegard's law up to 2000 K. There is no significant change in the enthalpy, heat capacity, lattice expansion, and thermal conductivity as we increased the concentration of americium. Overall, a series of empirical models are derived for the thermophysical properties of (UxAm1−x)O2 MOX fuel based on the MD data.

KW - MOX

KW - Molecular dynamics

KW - Nuclear fuel

KW - Thermal conductivity

KW - Uranium dioxide

UR - https://www.scopus.com/pages/publications/85072851630

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DO - 10.1016/j.commatsci.2019.109324

M3 - Article

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VL - 172

JO - Computational Materials Science

JF - Computational Materials Science

M1 - 109324

ER -

Thermophysical properties of (U_xAm_1−x)O₂ MOX fuel

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