Aggregation of retained helium and hydrogen in titanium beryllide Be12Ti: a first-principles study

Author:

Wang Yinlong123,Wang Canglong243ORCID,Meng Zhaocang243,Liu Jitao243,Li Yuhong1,Yang Lei243

Affiliation:

1. School of Nuclear Science and Technology, Lanzhou University, Lanzhou, 730000, China

2. Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou, 730000, China

3. Advanced Energy Science and Technology Guangdong Laboratory, Huizhou, 516000, China

4. School of Nuclear Science and Technology, University of Chinese Academy of Sciences, Beijing, 100049, China

Abstract

The He bubble will initially nucleate around VBe2. Then the nucleation of the He bubble will occur around the divacancy of VBe2VBe1 and the trivacancy of VBe2VBe1VBe3. The presence of H atoms will significantly influence the nucleation of the He bubble.

Funder

National Natural Science Foundation of China

Chinese Academy of Sciences

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

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