Effect of Ni Doping on the Embrittlement of Liquid Zinc at Σ5 Fe Austenite Grain Boundary

In this study, first-principles computational tensile tests have been performed for the Σ5 symmetrically tilted grain boundaries of the face-centered cubic (fcc) Fe to investigate the effects of Zn and Zn-Ni doping on the boundary energy and electronic structure. The obtained results indicate that t...

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Bibliographic Details

Published in:	Metals
Main Authors:	Chengfa Ding, Wangjun Peng, Zheng Ma, Yan Zhao, Huaxiang Teng, Guangxin Wu
Format:	Article
Language:	English
Published:	MDPI AG 2021-12-01
Subjects:	first-principles computational tensile test Σ5 [001] (210) 53.6° fcc Fe symmetrically tilted grain boundary liquid zinc-induced embrittlement Zn-Ni co-doping
Online Access:	https://www.mdpi.com/2075-4701/12/1/27