Article ; Online: Hydrogen solubility and diffusivity at Σ3 grain boundary of PdCu.
RSC advances
2021 Volume 11, Issue 22, Page(s) 13644–13652
Abstract: First principles calculations have been performed to comparatively reveal hydrogen solubility and diffusivity at grain boundaries of BCC and FCC PdCu phases. It is found that the temperature-dependent hydrogen solubility at BCC Σ3 (112) GB of PdCu seems ... ...
Abstract | First principles calculations have been performed to comparatively reveal hydrogen solubility and diffusivity at grain boundaries of BCC and FCC PdCu phases. It is found that the temperature-dependent hydrogen solubility at BCC Σ3 (112) GB of PdCu seems much higher than that in BCC PdCu bulk, while hydrogen solubility in FCC Σ3 (111) GB of PdCu is much lower than that in its corresponding FCC bulk. Calculations also reveal that grain boundary has an important effect on hydrogen diffusion of BCC and FCC PdCu, |
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Language | English |
Publishing date | 2021-04-13 |
Publishing country | England |
Document type | Journal Article |
ISSN | 2046-2069 |
ISSN (online) | 2046-2069 |
DOI | 10.1039/d0ra10133h |
Database | MEDical Literature Analysis and Retrieval System OnLINE |
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