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An Ab Initio Study of Connections between Tensorial Elastic Properties and Chemical Bonds in Σ5(210) Grain Boundaries in Ni(3)Si
Using quantum-mechanical methods we calculate and analyze (tensorial) anisotropic elastic properties of the ground-state configurations of interface states associated with [Formula: see text] 5(210) grain boundaries (GBs) in cubic L1 [Formula: see text]-structure Ni [Formula: see text] Si. We assess...
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| Publicado en: | Materials (Basel) |
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| Autores principales: | , , , , |
| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
MDPI
2018
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| Materias: | |
| Acceso en línea: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6265990/ https://ncbi.nlm.nih.gov/pubmed/30428570 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ma11112263 |
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