Influence of initial damage distribution and sinks in fusion materials: A parametric OKMC study of W vs Fe
Irradiation present in nuclear test reactors and power plants is known to alter the properties of structural materials. Using long-timescale Object Kinetic Monte Carlo simulations, we systematically investigated the influence of different parameters and temperature on the microstructural evolution o...
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Elsevier
2025-09-01
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| Series: | Nuclear Materials and Energy |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2352179125001176 |
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| author | Jintong Wu Juan-Pablo Balbuena Ville Jantunen Maria J. Caturla Fredric Granberg |
| author_facet | Jintong Wu Juan-Pablo Balbuena Ville Jantunen Maria J. Caturla Fredric Granberg |
| author_sort | Jintong Wu |
| collection | DOAJ |
| description | Irradiation present in nuclear test reactors and power plants is known to alter the properties of structural materials. Using long-timescale Object Kinetic Monte Carlo simulations, we systematically investigated the influence of different parameters and temperature on the microstructural evolution of tungsten and iron under irradiation. Our results indicate that in tungsten, the inclusion of spherical absorbers is essential for achieving realistic vacancy saturation levels by limiting the recombination between highly mobile interstitials and vacancies. At elevated temperatures, using cascade-shaped insertion enhances local vacancy clustering, leading to a larger number of smaller vacancy clusters compared to random insertion. In contrast, for iron, the absence of spherical absorbers facilitates the growth of immobile C15 clusters and subsequent formation of 〈100〉 loops, markedly altering the defect distribution even at room temperature. Additionally, while the dose rate effect is negligible at room temperature in tungsten due to the immobile vacancies and the very fast migration of interstitials, longer relaxation times between cascades at higher temperatures promote the development of larger vacancy clusters. These insights are crucial for realistic parameterization of Kinetic Monte Carlo models and contribute to a deeper understanding of the irradiation effects in materials used in nuclear applications. |
| format | Article |
| id | doaj-art-3361a9cd3b324d6d98faa7f0c67f5167 |
| institution | Kabale University |
| issn | 2352-1791 |
| language | English |
| publishDate | 2025-09-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Nuclear Materials and Energy |
| spelling | doaj-art-3361a9cd3b324d6d98faa7f0c67f51672025-08-20T05:07:04ZengElsevierNuclear Materials and Energy2352-17912025-09-014410197510.1016/j.nme.2025.101975Influence of initial damage distribution and sinks in fusion materials: A parametric OKMC study of W vs FeJintong Wu0Juan-Pablo Balbuena1Ville Jantunen2Maria J. Caturla3Fredric Granberg4Department of Physics, University of Helsinki, Post-office box 43, FIN-00014, Finland; Corresponding author.Department of Physics and Mathematics, Universidad de Alcala, SpainDepartment of Physics, University of Helsinki, Post-office box 43, FIN-00014, FinlandDepartmento de Fisica Aplicada, Universidad de Alicante, SpainDepartment of Physics, University of Helsinki, Post-office box 43, FIN-00014, FinlandIrradiation present in nuclear test reactors and power plants is known to alter the properties of structural materials. Using long-timescale Object Kinetic Monte Carlo simulations, we systematically investigated the influence of different parameters and temperature on the microstructural evolution of tungsten and iron under irradiation. Our results indicate that in tungsten, the inclusion of spherical absorbers is essential for achieving realistic vacancy saturation levels by limiting the recombination between highly mobile interstitials and vacancies. At elevated temperatures, using cascade-shaped insertion enhances local vacancy clustering, leading to a larger number of smaller vacancy clusters compared to random insertion. In contrast, for iron, the absence of spherical absorbers facilitates the growth of immobile C15 clusters and subsequent formation of 〈100〉 loops, markedly altering the defect distribution even at room temperature. Additionally, while the dose rate effect is negligible at room temperature in tungsten due to the immobile vacancies and the very fast migration of interstitials, longer relaxation times between cascades at higher temperatures promote the development of larger vacancy clusters. These insights are crucial for realistic parameterization of Kinetic Monte Carlo models and contribute to a deeper understanding of the irradiation effects in materials used in nuclear applications.http://www.sciencedirect.com/science/article/pii/S2352179125001176Fusion materialsTungstenIronIrradiationObject Kinetic Monte Carlo |
| spellingShingle | Jintong Wu Juan-Pablo Balbuena Ville Jantunen Maria J. Caturla Fredric Granberg Influence of initial damage distribution and sinks in fusion materials: A parametric OKMC study of W vs Fe Nuclear Materials and Energy Fusion materials Tungsten Iron Irradiation Object Kinetic Monte Carlo |
| title | Influence of initial damage distribution and sinks in fusion materials: A parametric OKMC study of W vs Fe |
| title_full | Influence of initial damage distribution and sinks in fusion materials: A parametric OKMC study of W vs Fe |
| title_fullStr | Influence of initial damage distribution and sinks in fusion materials: A parametric OKMC study of W vs Fe |
| title_full_unstemmed | Influence of initial damage distribution and sinks in fusion materials: A parametric OKMC study of W vs Fe |
| title_short | Influence of initial damage distribution and sinks in fusion materials: A parametric OKMC study of W vs Fe |
| title_sort | influence of initial damage distribution and sinks in fusion materials a parametric okmc study of w vs fe |
| topic | Fusion materials Tungsten Iron Irradiation Object Kinetic Monte Carlo |
| url | http://www.sciencedirect.com/science/article/pii/S2352179125001176 |
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