Effects of alloying elements on the solubility, diffusivity, and permeability of hydrogen in TiC from first-principles calculation
First-principles calculations were utilized to explore the effects of Zr, Nb, Ta, and W on the solubility, diffusivity, and permeability of hydrogen in TiC. It is found that the trigonal site of H in TiC, which is encircled by three Ti atoms lying a {111} plane, has been identified as thermodynamica...
Gorde:
| Egile Nagusiak: | , , |
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| Formatua: | Artigo |
| Hizkuntza: | Inglês |
| Argitaratua: |
Elsevier
2025-06-01
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| Saila: | Nuclear Materials and Energy |
| Gaiak: | |
| Sarrera elektronikoa: | http://www.sciencedirect.com/science/article/pii/S2352179125000651 |
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