Effect of Ce in Al-Ti-B-Ce Refiner on TiAl3/α-Al Heterogeneous Nucleation Interface by First-Principles Study
Source abstract
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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Research context
OpenAlex topics: Aluminum Alloys Composites Properties · Aluminum Alloy Microstructure Properties · Intermetallics and Advanced Alloy Properties
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
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