Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
7963067 | Journal of Nuclear Materials | 2018 | 20 Pages |
Abstract
We reveal the interaction of H with He in pure W and W-Ta alloy based on first-principles calculations. We show a strong attraction between H and He in both systems that drives H segregation towards He. The substitutional He and tetrahedral interstitial H defects in W-Ta alloy are more energetically favorable than pure W due to the decreased electronic density of the replaced Ta atom. Moreover, 1 He-Vac complex in both systems can trap as many as 12â¯H atoms. Based on the calculated formation energy of Hn-He-Vac complexes, the H3-He-Vac has the lowest formation energy in both systems. We believe that such understanding is generally applicable for H bubble formation in metals and metal alloys.
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Authors
ChuBin Wan, SuYe Yu, Xin Ju, WenWen Wang,