Zr元素对纯铝细化机理的电子理论研究

doi:10.11896/j.issn.1005-023X.2018.18.016

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Abstract Valence electron structures (VES) of the phases and the phase interfaces in the Al-Zr melt were calculated based on the empirical electron theory (EET) of solids and molecules. Meanwhile, the statistical values of VES parameters used for charactering properties of alloys were obtained, and then these parameters were used to discuss the refinement mechanism of pure Al by adding the Zr element. The results show that the refinement effect of Zr on pure Al can be related to the statistic value of the covalent electron density difference Δρ′ between interfaces of the Al₃Zr and α-Al phases. When Δρ′ is less than 10%, with decreasing the value of Δρ′, there is more heterogeneous nucleation, and thus the grain refinement effect is better. The Al-Al clusters with low Δρ′ (2.789 04%) value will be adsorbed by heterogeneous nuclei (Al₃Zr particles), resulting in grain refinement. However, the Al-Zr clusters with high Δρ′ (15.698 70%) value are easy to separate from the nuclei, which will reduce the heterogeneous nuclei and refinement effect.

Key words： Zr element pure Al empirical electron theory of solids and molecules valence electron structure refinement mechanism

Published: 18 October 2018

CLC number:	TG146.2
	TG111.1

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	Articles by authors
	LI Fei
	LIAO Yijun
	WANG Xu
	ZHU Qingfeng
	CUI Jianzhong

Cite this article:

LI Fei,LIAO Yijun,WANG Xu, et al. Electron Theory Study of the Refinement Mechanism of Zr Element on Pure Al[J]. Materials Reports, 2018, 32(18): 3190-3194.

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http://www.mater-rep.com/EN/10.11896/j.issn.1005-023X.2018.18.016 OR http://www.mater-rep.com/EN/Y2018/V32/I18/3190

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