Multiscale modeling of thermal conductivity of high burnup structures in UO2 fuels
Abstract
The high burnup structure forming at the rim region in UO2 based nuclear fuel pellets has interesting physical properties such as improved thermal conductivity, even though it contains a high density of grain boundaries and micron-size gas bubbles. To understand this counterintuitive phenomenon, mesoscale heat conduction simulations with inputs from atomistic simulations and experiments were conducted to study the thermal conductivities of a small-grain high burnup microstructure and two large-grain unrestructured microstructures. We concluded that the phonon scattering effects caused by small point defects such as dispersed Xe atoms in the grain interior must be included in order to correctly predict the thermal transport properties of these microstructures. In extreme cases, even a small concentration of dispersed Xe atoms such as 10-5 can result in a lower thermal conductivity in the large-grain unrestructured microstructures than in the small-grain high burnup structure. The high-density grain boundaries in a high burnup structure act as defect sinks and can reduce the concentration of point defects in its grain interior and improve its thermal conductivity in comparison with its large-grain counterparts. Furthermore, an analytical model was developed to describe the thermal conductivity at different concentrations of dispersed Xe, bubble porosities, and grain sizes. Uponmore »
- Authors:
-
- Idaho National Lab. (INL), Idaho Falls, ID (United States)
- Idaho National Lab. (INL), Idaho Falls, ID (United States); Pennsylvania State Univ., University Park, PA (United States)
- Publication Date:
- Research Org.:
- Idaho National Laboratory (INL), Idaho Falls, ID (United States)
- Sponsoring Org.:
- USDOE Office of Nuclear Energy (NE)
- OSTI Identifier:
- 1252217
- Alternate Identifier(s):
- OSTI ID: 1359398
- Report Number(s):
- INL/JOU-15-36798
Journal ID: ISSN 0022-3115; PII: S0022311515303974
- Grant/Contract Number:
- AC07-05ID14517
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Nuclear Materials
- Additional Journal Information:
- Journal Volume: 470; Journal Issue: C; Journal ID: ISSN 0022-3115
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; computer modeling of microstructural effects on thermal transport in UO2 fuels
Citation Formats
Bai, Xian -Ming, Tonks, Michael R., Zhang, Yongfeng, and Hales, Jason D. Multiscale modeling of thermal conductivity of high burnup structures in UO2 fuels. United States: N. p., 2015.
Web. doi:10.1016/j.jnucmat.2015.12.028.
Bai, Xian -Ming, Tonks, Michael R., Zhang, Yongfeng, & Hales, Jason D. Multiscale modeling of thermal conductivity of high burnup structures in UO2 fuels. United States. https://doi.org/10.1016/j.jnucmat.2015.12.028
Bai, Xian -Ming, Tonks, Michael R., Zhang, Yongfeng, and Hales, Jason D. Tue .
"Multiscale modeling of thermal conductivity of high burnup structures in UO2 fuels". United States. https://doi.org/10.1016/j.jnucmat.2015.12.028. https://www.osti.gov/servlets/purl/1252217.
@article{osti_1252217,
title = {Multiscale modeling of thermal conductivity of high burnup structures in UO2 fuels},
author = {Bai, Xian -Ming and Tonks, Michael R. and Zhang, Yongfeng and Hales, Jason D.},
abstractNote = {The high burnup structure forming at the rim region in UO2 based nuclear fuel pellets has interesting physical properties such as improved thermal conductivity, even though it contains a high density of grain boundaries and micron-size gas bubbles. To understand this counterintuitive phenomenon, mesoscale heat conduction simulations with inputs from atomistic simulations and experiments were conducted to study the thermal conductivities of a small-grain high burnup microstructure and two large-grain unrestructured microstructures. We concluded that the phonon scattering effects caused by small point defects such as dispersed Xe atoms in the grain interior must be included in order to correctly predict the thermal transport properties of these microstructures. In extreme cases, even a small concentration of dispersed Xe atoms such as 10-5 can result in a lower thermal conductivity in the large-grain unrestructured microstructures than in the small-grain high burnup structure. The high-density grain boundaries in a high burnup structure act as defect sinks and can reduce the concentration of point defects in its grain interior and improve its thermal conductivity in comparison with its large-grain counterparts. Furthermore, an analytical model was developed to describe the thermal conductivity at different concentrations of dispersed Xe, bubble porosities, and grain sizes. Upon calibration, the model is robust and agrees well with independent heat conduction modeling over a wide range of microstructural parameters.},
doi = {10.1016/j.jnucmat.2015.12.028},
journal = {Journal of Nuclear Materials},
number = C,
volume = 470,
place = {United States},
year = {Tue Dec 22 00:00:00 EST 2015},
month = {Tue Dec 22 00:00:00 EST 2015}
}
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Works referencing / citing this record:
Oxygen-18 Tracer Measurements of Anion Diffusion in Uranium Dioxide Thin Films
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Mesoscale Modeling of High Burn-Up Structure Formation and Evolution in UO2
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An Experimentally Validated Mesoscale Model of Thermal Conductivity of a UO2 and BeO Composite Nuclear Fuel
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Unified Effect of Dispersed Xe on the Thermal Conductivity of UO2 Predicted by Three Interatomic Potentials
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