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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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Detalhes bibliográficos
Publicado no:Materials (Basel)
Main Authors: Friák, Martin, Zelený, Martin, Všianská, Monika, Holec, David, Šob, Mojmír
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI 2018
Assuntos:
Acesso em linha: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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