Interaction of Hydrogen Atoms with Grain Boundaries in Palladium Bicrystals
Journal Article
·
· Inorganic Materials
- Moscow State University (Russian Federation)
- Voronezh State University (Russian Federation)
Hydrogen diffusion in palladium bicrystals containing a small-angle twist or tilt boundary or a large-angle boundary similar to a special boundary is investigated using molecular dynamics simulation. We assess the effect of grain boundaries on the hydrogen diffusion process. The types of grain boundaries considered here are shown to differ in their absorption activity for hydrogen. The temporal grain-boundary segregation of hydrogen atoms can be accounted for in terms of their coordination, which differs significantly from that in the grain bulk.
- OSTI ID:
- 22788146
- Journal Information:
- Inorganic Materials, Vol. 54, Issue 5; Other Information: Copyright (c) 2018 Pleiades Publishing, Ltd.; Country of input: International Atomic Energy Agency (IAEA); ISSN 0020-1685
- Country of Publication:
- United States
- Language:
- English
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