Atomistic simulations of defect accumulation and evolution in heavily irradiated titanium for nuclear-powered spacecraft
Titanium alloys are expected to become one of the candidate materials for nuclear-powered spacecraft due to their excellent overall performance. Nevertheless, atomistic mechanisms of the defect accumulation and evolution of the materials due to long-term exposure to irradiation remain scarcely under...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
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Elsevier
2023-06-01
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| Series: | Nuclear Engineering and Technology |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S1738573323001055 |
| _version_ | 1797811070379753472 |
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| author | Hai Huang Xiaoting Yuan Longjingrui Ma Jiwei Lin Guopeng Zhang Bin Cai |
| author_facet | Hai Huang Xiaoting Yuan Longjingrui Ma Jiwei Lin Guopeng Zhang Bin Cai |
| author_sort | Hai Huang |
| collection | DOAJ |
| description | Titanium alloys are expected to become one of the candidate materials for nuclear-powered spacecraft due to their excellent overall performance. Nevertheless, atomistic mechanisms of the defect accumulation and evolution of the materials due to long-term exposure to irradiation remain scarcely understood by far. Here we investigate the heavy irradiation damage in α-titanium with a dose as high as 4.0 canonical displacements per atom (cDPA) using atomistic simulations of Frenkel pair accumulation. Results show that the content of surviving defects increases sharply before 0.04 cDPA and then decreases slowly to stabilize, exhibiting a strong correlation with the system energy. Under the current simulation conditions, the defect clustering fraction may be not directly dependent on the irradiation dose. Compared to vacancies, interstitials are more likely to form clusters, which may further cause the formation of 1/3<1¯210> interstitial-type dislocation loops extended along the (¯1010) plane. This study provides an important insight into the understanding of the irradiation damage behaviors for titanium. |
| first_indexed | 2024-03-13T07:18:13Z |
| format | Article |
| id | doaj.art-8be5c49683174de0b61f2ca4f7cabfc9 |
| institution | Directory Open Access Journal |
| issn | 1738-5733 |
| language | English |
| last_indexed | 2024-03-13T07:18:13Z |
| publishDate | 2023-06-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Nuclear Engineering and Technology |
| spelling | doaj.art-8be5c49683174de0b61f2ca4f7cabfc92023-06-05T04:12:40ZengElsevierNuclear Engineering and Technology1738-57332023-06-0155622982304Atomistic simulations of defect accumulation and evolution in heavily irradiated titanium for nuclear-powered spacecraftHai Huang0Xiaoting Yuan1Longjingrui Ma2Jiwei Lin3Guopeng Zhang4Bin Cai5Key Laboratory of Material Physics of Ministry of Education, School of Physics and Microelectronics, Zhengzhou University, Zhengzhou, 450052, China; Corresponding author.Key Laboratory of Material Physics of Ministry of Education, School of Physics and Microelectronics, Zhengzhou University, Zhengzhou, 450052, ChinaKey Laboratory of Material Physics of Ministry of Education, School of Physics and Microelectronics, Zhengzhou University, Zhengzhou, 450052, ChinaShanghai Nuclear Engineering Research & Design Institute Co.Ltd, Shanghai, 200233, ChinaKey Laboratory of Material Physics of Ministry of Education, School of Physics and Microelectronics, Zhengzhou University, Zhengzhou, 450052, ChinaKey Laboratory of Material Physics of Ministry of Education, School of Physics and Microelectronics, Zhengzhou University, Zhengzhou, 450052, ChinaTitanium alloys are expected to become one of the candidate materials for nuclear-powered spacecraft due to their excellent overall performance. Nevertheless, atomistic mechanisms of the defect accumulation and evolution of the materials due to long-term exposure to irradiation remain scarcely understood by far. Here we investigate the heavy irradiation damage in α-titanium with a dose as high as 4.0 canonical displacements per atom (cDPA) using atomistic simulations of Frenkel pair accumulation. Results show that the content of surviving defects increases sharply before 0.04 cDPA and then decreases slowly to stabilize, exhibiting a strong correlation with the system energy. Under the current simulation conditions, the defect clustering fraction may be not directly dependent on the irradiation dose. Compared to vacancies, interstitials are more likely to form clusters, which may further cause the formation of 1/3<1¯210> interstitial-type dislocation loops extended along the (¯1010) plane. This study provides an important insight into the understanding of the irradiation damage behaviors for titanium.http://www.sciencedirect.com/science/article/pii/S1738573323001055TitaniumHeavy irradiation damageFrenkel pair accumulationDefect clusteringMolecular dynamics |
| spellingShingle | Hai Huang Xiaoting Yuan Longjingrui Ma Jiwei Lin Guopeng Zhang Bin Cai Atomistic simulations of defect accumulation and evolution in heavily irradiated titanium for nuclear-powered spacecraft Nuclear Engineering and Technology Titanium Heavy irradiation damage Frenkel pair accumulation Defect clustering Molecular dynamics |
| title | Atomistic simulations of defect accumulation and evolution in heavily irradiated titanium for nuclear-powered spacecraft |
| title_full | Atomistic simulations of defect accumulation and evolution in heavily irradiated titanium for nuclear-powered spacecraft |
| title_fullStr | Atomistic simulations of defect accumulation and evolution in heavily irradiated titanium for nuclear-powered spacecraft |
| title_full_unstemmed | Atomistic simulations of defect accumulation and evolution in heavily irradiated titanium for nuclear-powered spacecraft |
| title_short | Atomistic simulations of defect accumulation and evolution in heavily irradiated titanium for nuclear-powered spacecraft |
| title_sort | atomistic simulations of defect accumulation and evolution in heavily irradiated titanium for nuclear powered spacecraft |
| topic | Titanium Heavy irradiation damage Frenkel pair accumulation Defect clustering Molecular dynamics |
| url | http://www.sciencedirect.com/science/article/pii/S1738573323001055 |
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