Impact of interstitial impurities on the trapping of dislocation loops in tungsten
Abstract Ab initio simulations are employed to assess the interaction of typical interstitial impurities with self-interstitial atoms, dislocation loops and edge dislocation lines in tungsten. These impurities are present in commercial tungsten grades and are also created as a result of neutron tran...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2021-06-01
|
| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-021-91390-1 |
| _version_ | 1818978232861458432 |
|---|---|
| author | Alexander Bakaev Giovanni Bonny Nicolas Castin Dmitry Terentyev Viktor A. Bakaev |
| author_facet | Alexander Bakaev Giovanni Bonny Nicolas Castin Dmitry Terentyev Viktor A. Bakaev |
| author_sort | Alexander Bakaev |
| collection | DOAJ |
| description | Abstract Ab initio simulations are employed to assess the interaction of typical interstitial impurities with self-interstitial atoms, dislocation loops and edge dislocation lines in tungsten. These impurities are present in commercial tungsten grades and are also created as a result of neutron transmutation or the plasma in-take process. The relevance of the study is determined by the application of tungsten as first wall material in fusion reactors. For the defects with dislocation character, the following ordering of the interaction strength was established: H < N < C < O < He. The magnitude of the interaction energy was rationalized by decomposing it into elastic (related to the lattice strain) and chemical (related to local electron density) contributions. To account for the combined effect of impurity concentration and pinning strength, the impact of the presence of these impurities on the mobility of isolated dislocation loops was studied for DEMO relevant conditions in the non-elastic and dilute limit. |
| first_indexed | 2024-12-20T16:40:22Z |
| format | Article |
| id | doaj.art-0cc619ad3d234ae88143c0da9cd5047a |
| institution | Directory Open Access Journal |
| issn | 2045-2322 |
| language | English |
| last_indexed | 2024-12-20T16:40:22Z |
| publishDate | 2021-06-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Reports |
| spelling | doaj.art-0cc619ad3d234ae88143c0da9cd5047a2022-12-21T19:33:02ZengNature PortfolioScientific Reports2045-23222021-06-0111111110.1038/s41598-021-91390-1Impact of interstitial impurities on the trapping of dislocation loops in tungstenAlexander Bakaev0Giovanni Bonny1Nicolas Castin2Dmitry Terentyev3Viktor A. Bakaev4SCK CEN, Nuclear Materials Science InstituteSCK CEN, Nuclear Materials Science InstituteSCK CEN, Nuclear Materials Science InstituteSCK CEN, Nuclear Materials Science InstituteInstitute of Physics, Nanotechnology and Telecommunications, Peter the Great St. Petersburg Polytechnic UniversityAbstract Ab initio simulations are employed to assess the interaction of typical interstitial impurities with self-interstitial atoms, dislocation loops and edge dislocation lines in tungsten. These impurities are present in commercial tungsten grades and are also created as a result of neutron transmutation or the plasma in-take process. The relevance of the study is determined by the application of tungsten as first wall material in fusion reactors. For the defects with dislocation character, the following ordering of the interaction strength was established: H < N < C < O < He. The magnitude of the interaction energy was rationalized by decomposing it into elastic (related to the lattice strain) and chemical (related to local electron density) contributions. To account for the combined effect of impurity concentration and pinning strength, the impact of the presence of these impurities on the mobility of isolated dislocation loops was studied for DEMO relevant conditions in the non-elastic and dilute limit.https://doi.org/10.1038/s41598-021-91390-1 |
| spellingShingle | Alexander Bakaev Giovanni Bonny Nicolas Castin Dmitry Terentyev Viktor A. Bakaev Impact of interstitial impurities on the trapping of dislocation loops in tungsten Scientific Reports |
| title | Impact of interstitial impurities on the trapping of dislocation loops in tungsten |
| title_full | Impact of interstitial impurities on the trapping of dislocation loops in tungsten |
| title_fullStr | Impact of interstitial impurities on the trapping of dislocation loops in tungsten |
| title_full_unstemmed | Impact of interstitial impurities on the trapping of dislocation loops in tungsten |
| title_short | Impact of interstitial impurities on the trapping of dislocation loops in tungsten |
| title_sort | impact of interstitial impurities on the trapping of dislocation loops in tungsten |
| url | https://doi.org/10.1038/s41598-021-91390-1 |
| work_keys_str_mv | AT alexanderbakaev impactofinterstitialimpuritiesonthetrappingofdislocationloopsintungsten AT giovannibonny impactofinterstitialimpuritiesonthetrappingofdislocationloopsintungsten AT nicolascastin impactofinterstitialimpuritiesonthetrappingofdislocationloopsintungsten AT dmitryterentyev impactofinterstitialimpuritiesonthetrappingofdislocationloopsintungsten AT viktorabakaev impactofinterstitialimpuritiesonthetrappingofdislocationloopsintungsten |