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Journal of Materials Engineering and Performance
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06-01-2023 | Technical Article

Effect of Ce in Al-Ti-B-Ce Refiner on TiAl3/α-Al Heterogeneous Nucleation Interface by First-Principles Study

Authors: Song Lili, Fu Gaosheng, Li Longze, Chen Hongling, Wang huosheng

Published in: Journal of Materials Engineering and Performance | Issue 19/2023

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Abstract

The segregation behavior, the stability and strengthening energy, and the electronic structure of Ce at the TiAl3/α-Al interface was studied by first-principles method to understand the mechanism of the action of Ce on the second phase TiAl3 in Al-Ti-B-Ce refiner. The results show that Ce can spontaneously segregate at the nucleation interface of TiAl3 and Al to improve the stability of TiAl3/α-Al interface, and the stability of Ce central site of TiAl3(001) Al/Al (001) interface(0A0H) is the strongest. As for 0A0H interface, Ce has little effect on the electronic structure of Al (001) side of TiAl3/α-Al interface which limits its direct refinement effect on α-Al, while there is a strong bonding force to Al atoms on the TiAl3(001) side to reduce the surface energy of TiAl3, change the selective growth orientation of TiAl3, and provide more nucleation substrate to promote α-Al nucleation on the TiAl3 surface.
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Metadata
Title
Effect of Ce in Al-Ti-B-Ce Refiner on TiAl3/α-Al Heterogeneous Nucleation Interface by First-Principles Study
Authors
Song Lili
Fu Gaosheng
Li Longze
Chen Hongling
Wang huosheng
Publication date
06-01-2023
Publisher
Springer US
Published in
Journal of Materials Engineering and Performance / Issue 19/2023
Print ISSN: 1059-9495
Electronic ISSN: 1544-1024
DOI
https://doi.org/10.1007/s11665-022-07743-y

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