Dissolving, trapping and detrapping mechanisms of hydrogen in bcc and fcc transition metals
First-principles calculations are performed to investigate the dissolving, trapping and detrapping of H in six bcc (V, Nb, Ta, Cr, Mo, W) and six fcc (Ni, Pd, Pt, Cu, Ag, Au) metals. We find that the zero-point vibrations do not change the site-preference order of H at interstitial sites in these me...
| Main Authors: | , , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2013-01-01
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| Series: | AIP Advances |
| Online Access: | http://link.aip.org/link/doi/10.1063/1.4789547 |