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First-principles study on the hydrogen trapping by vacancy and substitutional helium in W–Ta alloy

In this work, a first-principles method is performed to investigate the interaction effect of hydrogen (H) with vacancy and substitutional helium (He) in tungsten and tantalum (W–Ta) alloy (atomic ratio of 1:1). The H atom occupies the tetrahedral interstitial site to a greater extent than the octah...

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Autors principals: XiangCao Li, RuiXuan Zhao, ChuBin Wan, TingTing Sui, Xin Ju
Format: Artigo
Idioma:Inglês
Publicat: Elsevier 2023-09-01
Col·lecció:Nuclear Materials and Energy
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Accés en línia:http://www.sciencedirect.com/science/article/pii/S2352179123000996
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