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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...
Gorde:
| Argitaratua izan da: | Materials (Basel) |
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| Egile Nagusiak: | , , , , |
| Formatua: | Artigo |
| Hizkuntza: | Inglês |
| Argitaratua: |
MDPI
2018
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| Gaiak: | |
| Sarrera elektronikoa: | 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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