Abstract
The effect of element do** on the mechanical properties of β′-Mg9Si5 phase in Al–Mg-Si alloys are investigated using density-functional calculations. The results reveal that Mg17Si10Ge exhibits the highest degree of stability, attributed to its lower formation enthalpies. Do** of Ge and Zn elements may lead to a reduction in the material's hardness. Conversely, the addition of Al and Zn elements can significantly enhance the toughness and ductility of Mg17Si10X. The electron orbits of Si atoms are the primary influencing factor. The strength-ductility of these materials can be finely tuned by altering the charge transfer around the do** atoms.
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Acknowledgments
The authors gratefully acknowledge the financial support of this study from the Fundamental Research Funds for the Central Universities (FRF-GF-20-25B). This work is also thankful for the Research Program of Bei**g Municipal Education Commission (Nos. KM201910037001, KM201910037186).
Funding
Fundamental Research Funds for the Central Universities, FRF-GF-20-25B, Chuan-Hui Zhang, Bei**g Municipal Education Commission, KM201910037001, Lianhong Ding, KM201910037186, Lianhong Ding
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Wang, J., Ding, L., Duan, M. et al. Element do** improving mechanical properties of β′ phase in Al–Mg–Si alloy. MRS Communications 13, 1187–1195 (2023). https://doi.org/10.1557/s43579-023-00427-1
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DOI: https://doi.org/10.1557/s43579-023-00427-1