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Abstract:
The segregation behavior, the stability and strengthening energy, and the electronic structure of Ce at the TiAl3/alpha-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/alpha-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/alpha-Al interface which limits its direct refinement effect on alpha-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 alpha-Al nucleation on the TiAl3 surface.
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JOURNAL OF MATERIALS ENGINEERING AND PERFORMANCE
ISSN: 1059-9495
Year: 2023
Issue: 19
Volume: 32
Page: 8585-8592
2 . 2
JCR@2023
2 . 2 0 0
JCR@2023
ESI Discipline: MATERIALS SCIENCE;
ESI HC Threshold:49
JCR Journal Grade:3
CAS Journal Grade:4
Cited Count:
WoS CC Cited Count: 2
SCOPUS Cited Count: 3
ESI Highly Cited Papers on the List: 0 Unfold All
WanFang Cited Count:
Chinese Cited Count:
30 Days PV: 1
Affiliated Colleges: