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First-principles study of point defects at a semicoherent interface
Most of the atomistic modeling of semicoherent metal-metal interfaces has so far been based on the use of semiempirical interatomic potentials. We show that key conclusions drawn from previous studies are in contradiction with more precise ab-initio calculations. In particular we find that single po...
Enregistré dans:
| Publié dans: | Sci Rep |
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| Auteurs principaux: | , , , , |
| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
Nature Publishing Group
2014
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| Sujets: | |
| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4271255/ https://ncbi.nlm.nih.gov/pubmed/25524061 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep07567 |
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