Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5347386 | Applied Surface Science | 2017 | 14 Pages |
Abstract
The Al/TiB2 interface is of significant importance in controlling the mechanical properties of Al-B4C composites and tuning the heterogeneous nucleation of Al/Si alloys in industry. Its stability and bonding conditions are critical for both purposes. In this paper, the interfacial energies were investigated by first-principles calculations, and the results support the reported grain refinement mechanisms in Al/Si alloys. Moreover, to improve the mechanical properties of the interface, Mg and Si were doped at the interface, and our simulations show that the two interfaces will both weaken after doping Mg/Si, thus the formation of TiB2 is inhibited. As a result, the processability of the Al-B4C composites may be improved. Our results provide a theoretical basis and guidance for practical applications.
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Authors
Chao Deng, Ben Xu, Ping Wu, Qiulin Li,