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First-Principle Studies on the Mechanical and Electronic Properties of Al(x)Ni(y)Zr(z) (x = 1~3, y = 1~2, z = 1~6) Alloy under Pressure

The elastic and electronic properties of Al(x)Ni(y)Zr(z) (AlNiZr, Al(2)NiZr(6), AlNi(2)Zr, and Al(5)Ni(2)Zr) under pressure from 0 to 50 GPa have been investigated by using the density function theory (DFT) within the generalized gradient approximation (GGA). The elastic constants C(ij) (GPa), Shear...

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Detalles Bibliográficos
Autores principales:	Yuan, Xiaoli, Li, Weikang, Wan, Peng, Xue, Mi-An
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7663817/ https://www.ncbi.nlm.nih.gov/pubmed/33167319 http://dx.doi.org/10.3390/ma13214972

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