Rational design of Nb-based alloys for hydrogen separation: A first principles study
We have investigated the effect of alloying metal elements on hydrogen solubility and mechanical integrity of Nb-based alloys, Nb15M1 (where M = Ca–Zn, Ge), using first principles-based calculations. In general, the chemical interaction between the interstitial H and metal is weakened as the alloyin...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2013-02-01
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| Series: | AIP Advances |
| Online Access: | http://link.aip.org/link/doi/10.1063/1.4790627 |