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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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Detalles Bibliográficos
Autores principales:	Friák, Martin, Zelený, Martin, Všianská, Monika, Holec, David, Šob, Mojmír
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2018
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6265990/ https://www.ncbi.nlm.nih.gov/pubmed/30428570 http://dx.doi.org/10.3390/ma11112263

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