Multiscale, mechanistic modeling of cesium transport in silicon carbide for TRISO fuel performance prediction
Abstract Understanding cesium (Cs) transport in TRistructural ISOtropic (TRISO) particle fuel is crucial for predicting fission product release in high-temperature reactors. However, current challenges include significant scatter in diffusivity data and unexplained temperature-dependent diffusion re...
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| Format: | Article |
| Language: | English |
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Nature Portfolio
2025-07-01
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| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-025-01734-y |
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| author | Pierre-Clément A. Simon Jia-Hong Ke Chao Jiang Larry K. Aagesen Wen Jiang Stephen Novascone |
| author_facet | Pierre-Clément A. Simon Jia-Hong Ke Chao Jiang Larry K. Aagesen Wen Jiang Stephen Novascone |
| author_sort | Pierre-Clément A. Simon |
| collection | DOAJ |
| description | Abstract Understanding cesium (Cs) transport in TRistructural ISOtropic (TRISO) particle fuel is crucial for predicting fission product release in high-temperature reactors. However, current challenges include significant scatter in diffusivity data and unexplained temperature-dependent diffusion regimes in the silicon carbide layer. This study addresses these challenges by developing a multiscale, mechanistic Cs transport model integrating atomistic simulations and phase field modeling. Our model quantifies temperature and grain size effects on Cs diffusivity, attributing experimentally observed regimes to a transition from bulk-dominated diffusivity at high temperatures to grain boundary-dominated diffusivity at lower temperatures. The model, validated against diffusion measurements and advanced gas reactor (AGR)-1 and AGR-2 post-irradiation fission product release data, enhances the predictive capability of the BISON fuel performance code. This study advances our understanding of Cs release from TRISO particles and its dependence on temperature and silicon carbide grain size, with implications for the safety and efficiency of high-temperature nuclear reactors. |
| format | Article |
| id | doaj-art-ee69a2de34984b6a8984be19796eb5c5 |
| institution | Kabale University |
| issn | 2057-3960 |
| language | English |
| publishDate | 2025-07-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | npj Computational Materials |
| spelling | doaj-art-ee69a2de34984b6a8984be19796eb5c52025-08-20T04:02:56ZengNature Portfolionpj Computational Materials2057-39602025-07-0111111310.1038/s41524-025-01734-yMultiscale, mechanistic modeling of cesium transport in silicon carbide for TRISO fuel performance predictionPierre-Clément A. Simon0Jia-Hong Ke1Chao Jiang2Larry K. Aagesen3Wen Jiang4Stephen Novascone5Computational Mechanics and Materials Department, Idaho National LaboratoryComputational Mechanics and Materials Department, Idaho National LaboratoryComputational Mechanics and Materials Department, Idaho National LaboratoryComputational Mechanics and Materials Department, Idaho National LaboratoryComputational Mechanics and Materials Department, Idaho National LaboratoryComputational Mechanics and Materials Department, Idaho National LaboratoryAbstract Understanding cesium (Cs) transport in TRistructural ISOtropic (TRISO) particle fuel is crucial for predicting fission product release in high-temperature reactors. However, current challenges include significant scatter in diffusivity data and unexplained temperature-dependent diffusion regimes in the silicon carbide layer. This study addresses these challenges by developing a multiscale, mechanistic Cs transport model integrating atomistic simulations and phase field modeling. Our model quantifies temperature and grain size effects on Cs diffusivity, attributing experimentally observed regimes to a transition from bulk-dominated diffusivity at high temperatures to grain boundary-dominated diffusivity at lower temperatures. The model, validated against diffusion measurements and advanced gas reactor (AGR)-1 and AGR-2 post-irradiation fission product release data, enhances the predictive capability of the BISON fuel performance code. This study advances our understanding of Cs release from TRISO particles and its dependence on temperature and silicon carbide grain size, with implications for the safety and efficiency of high-temperature nuclear reactors.https://doi.org/10.1038/s41524-025-01734-y |
| spellingShingle | Pierre-Clément A. Simon Jia-Hong Ke Chao Jiang Larry K. Aagesen Wen Jiang Stephen Novascone Multiscale, mechanistic modeling of cesium transport in silicon carbide for TRISO fuel performance prediction npj Computational Materials |
| title | Multiscale, mechanistic modeling of cesium transport in silicon carbide for TRISO fuel performance prediction |
| title_full | Multiscale, mechanistic modeling of cesium transport in silicon carbide for TRISO fuel performance prediction |
| title_fullStr | Multiscale, mechanistic modeling of cesium transport in silicon carbide for TRISO fuel performance prediction |
| title_full_unstemmed | Multiscale, mechanistic modeling of cesium transport in silicon carbide for TRISO fuel performance prediction |
| title_short | Multiscale, mechanistic modeling of cesium transport in silicon carbide for TRISO fuel performance prediction |
| title_sort | multiscale mechanistic modeling of cesium transport in silicon carbide for triso fuel performance prediction |
| url | https://doi.org/10.1038/s41524-025-01734-y |
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