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The influence of si...
The influence of site occupancy on diffusion of hydrogen in vanadium
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- Mooij, Lennard (author)
- Uppsala universitet,Materialfysik
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- Huang, Wen (author)
- Uppsala universitet,Materialfysik
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- Droulias, Sotirios A. (author)
- Uppsala universitet,Materialfysik
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- Johansson, Robert (author)
- Uppsala universitet,Materialteori
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- Hartmann, Ola (author)
- Uppsala universitet,Materialfysik
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- Xin, Xiao (author)
- Uppsala universitet,Materialfysik
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- Palonen, Heikki (author)
- Uppsala universitet,Materialfysik
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- Scheicher, Ralph H. (author)
- Uppsala universitet,Materialteori
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- Wolff, Max (author)
- Uppsala universitet,Materialfysik
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- Hjörvarsson, Björgvin (author)
- Uppsala universitet,Materialfysik
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(creator_code:org_t)
- 2017
- 2017
- English.
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In: Physical Review B. - 2469-9950 .- 2469-9969. ; 95:6
- Related links:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
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- We investigate the effect of site occupancy on the chemical diffusion of hydrogen in strained vanadium. The diffusion rate is found to decrease substantially, when hydrogen is occupying octahedral sites as compared to tetrahedral sites. Profound isotope effects are observed when comparing the diffusion rate of H and D. The changes in the diffusion rate are found to be strongly influenced by the changes in the potential energy landscape, as deduced from first-principles molecular dynamics calculations.
Subject headings
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Publication and Content Type
- ref (subject category)
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- By the author/editor
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Mooij, Lennard
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Huang, Wen
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Droulias, Sotiri ...
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Johansson, Rober ...
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Hartmann, Ola
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Xin, Xiao
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show more...
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Palonen, Heikki
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Scheicher, Ralph ...
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Wolff, Max
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Hjörvarsson, Bjö ...
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- About the subject
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Physical Science ...
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and Condensed Matter ...
- Articles in the publication
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Physical Review ...
- By the university
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Uppsala University