Insights into Poisoning Mechanism of Zr by First Principle Calculation on Adhesion Work and Adsorption Energy between TiB<sub>2</sub>, Al<sub>3</sub>Ti, and Al<sub>3</sub>Zr

Insights into Poisoning Mechanism of Zr by First Principle Calculation on Adhesion Work and Adsorption Energy between TiB<sub>2</sub>, Al<sub>3</sub>Ti, and Al<sub>3</sub>Zr

Al-Ti-B intermediate alloys are widely used as grain refiners in aluminum alloys owing to the presence of Al<sub>3</sub>Ti and TiB<sub>2</sub> phases. However, the existence of Zr in aluminum alloy melts often results in coarse grain size, leading to Al-Ti-B failure called Zr...

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Bibliographic Details
Main Authors: Jianqiang Wu, Qilin Ruan, Simin Chen, Chuanchao Meng, Zhengbing Xu, Chunhua Wei, Hongqun Tang, Junsheng Wang
Format: Article
Language:English
Published: MDPI AG 2022-02-01
Series:Metals
Subjects:
first principles calculation
adhesion work
adsorption energy
grain refiner
Zr poisoning mechanisms
Online Access:https://www.mdpi.com/2075-4701/12/2/286

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https://www.mdpi.com/2075-4701/12/2/286

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