First-Principles Investigation of the Diffusion of TM and the Nucleation and Growth of L1<sub>2</sub> Al<sub>3</sub>TM Particles in Al Alloys
The key parameters of growth and nucleation of Al<sub>3</sub>TM particles (TM = Sc-Zn, Y-Cd and Hf-Hg) have been calculated using the combination of the first principles calculations with the quasi-harmonic approximation (QHA). Herein, the diffusion rate <i>D<sub>s</sub>...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2023-06-01
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| Series: | Crystals |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2073-4352/13/7/1032 |