First-Principles Study on Si Atom Diffusion Behavior in Ni-Based Superalloys

First-Principles Study on Si Atom Diffusion Behavior in Ni-Based Superalloys

The Si atom diffusion behavior in Ni-based superalloys was evaluated based on first-principles calculations. Also, the site occupation of Si atoms as the melting point depressant elements in Cr, Mo, and W atom doped γ-Ni and γ′-Ni<sub>3</sub>Fe supercells was discussed and Si atom diffus...

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Bibliographic Details
Main Authors:	Yubo Sun, Zhiping Wang, Mingrun Du, Yimeng Du, Wang Zhang
Format:	Article
Language:	English
Published:	MDPI AG 2023-08-01
Series:	Materials
Subjects:	Si atom diffusion behavior energy barrier Ni-based superalloy melting point depressant elements refractory elements first-principles
Online Access:	https://www.mdpi.com/1996-1944/16/17/5989

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