Mechanism of vacancy formation induced by hydrogen in tungsten
We report a hydrogen induced vacancy formation mechanism in tungsten based on classical molecular dynamics simulations. We demonstrate the vacancy formation in tungsten due to the presence of hydrogen associated directly with a stable hexagonal self-interstitial cluster as well as a linear crowdion....
| Main Authors: | , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2013-12-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.4849775 |
| _version_ | 1819077631933415424 |
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| author | Yi-Nan Liu T. Ahlgren L. Bukonte K. Nordlund Xiaolin Shu Yi Yu Xiao-Chun Li Guang-Hong Lu |
| author_facet | Yi-Nan Liu T. Ahlgren L. Bukonte K. Nordlund Xiaolin Shu Yi Yu Xiao-Chun Li Guang-Hong Lu |
| author_sort | Yi-Nan Liu |
| collection | DOAJ |
| description | We report a hydrogen induced vacancy formation mechanism in tungsten based on classical molecular dynamics simulations. We demonstrate the vacancy formation in tungsten due to the presence of hydrogen associated directly with a stable hexagonal self-interstitial cluster as well as a linear crowdion. The stability of different self-interstitial structures has been further studied and it is particularly shown that hydrogen plays a crucial role in determining the configuration of SIAs, in which the hexagonal cluster structure is preferred. Energetic analysis has been carried out to prove that the formation of SIA clusters facilitates the formation of vacancies. Such a mechanism contributes to the understanding of the early stage of the hydrogen blistering in tungsten under a fusion reactor environment. |
| first_indexed | 2024-12-21T19:00:17Z |
| format | Article |
| id | doaj.art-23191fa856f442789e587a8a431f0547 |
| institution | Directory Open Access Journal |
| issn | 2158-3226 |
| language | English |
| last_indexed | 2024-12-21T19:00:17Z |
| publishDate | 2013-12-01 |
| publisher | AIP Publishing LLC |
| record_format | Article |
| series | AIP Advances |
| spelling | doaj.art-23191fa856f442789e587a8a431f05472022-12-21T18:53:30ZengAIP Publishing LLCAIP Advances2158-32262013-12-01312122111122111-1210.1063/1.4849775011312ADVMechanism of vacancy formation induced by hydrogen in tungstenYi-Nan Liu0T. Ahlgren1L. Bukonte2K. Nordlund3Xiaolin Shu4Yi Yu5Xiao-Chun Li6Guang-Hong Lu7School of Physics & Nuclear Energy Engineering, Beihang University, Beijing, 100191, ChinaAssociation EURATOM-TEKES, University of Helsinki, Helsinki, PO Box 64, 00560, FinlandAssociation EURATOM-TEKES, University of Helsinki, Helsinki, PO Box 64, 00560, FinlandAssociation EURATOM-TEKES, University of Helsinki, Helsinki, PO Box 64, 00560, FinlandSchool of Physics & Nuclear Energy Engineering, Beihang University, Beijing, 100191, ChinaSchool of Physics & Nuclear Energy Engineering, Beihang University, Beijing, 100191, ChinaInstitute of Plasma Physics, Chinese Academy of Sciences, Hefei, Anhui, 230031, ChinaSchool of Physics & Nuclear Energy Engineering, Beihang University, Beijing, 100191, ChinaWe report a hydrogen induced vacancy formation mechanism in tungsten based on classical molecular dynamics simulations. We demonstrate the vacancy formation in tungsten due to the presence of hydrogen associated directly with a stable hexagonal self-interstitial cluster as well as a linear crowdion. The stability of different self-interstitial structures has been further studied and it is particularly shown that hydrogen plays a crucial role in determining the configuration of SIAs, in which the hexagonal cluster structure is preferred. Energetic analysis has been carried out to prove that the formation of SIA clusters facilitates the formation of vacancies. Such a mechanism contributes to the understanding of the early stage of the hydrogen blistering in tungsten under a fusion reactor environment.http://dx.doi.org/10.1063/1.4849775 |
| spellingShingle | Yi-Nan Liu T. Ahlgren L. Bukonte K. Nordlund Xiaolin Shu Yi Yu Xiao-Chun Li Guang-Hong Lu Mechanism of vacancy formation induced by hydrogen in tungsten AIP Advances |
| title | Mechanism of vacancy formation induced by hydrogen in tungsten |
| title_full | Mechanism of vacancy formation induced by hydrogen in tungsten |
| title_fullStr | Mechanism of vacancy formation induced by hydrogen in tungsten |
| title_full_unstemmed | Mechanism of vacancy formation induced by hydrogen in tungsten |
| title_short | Mechanism of vacancy formation induced by hydrogen in tungsten |
| title_sort | mechanism of vacancy formation induced by hydrogen in tungsten |
| url | http://dx.doi.org/10.1063/1.4849775 |
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