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Effects of Solute Atoms on 9R Phase Stabilization in High-Performance Al Alloys: A First-Principles Study

  • Aluminum and Magnesium: High Strength Alloys for Automotive and Transportation Applications
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Abstract

Recent experiments have proven that the 9R phase can dramatically improve the mechanical properties of Al alloys. This work aims to investigate the effects of solute atoms on 9R phase stabilization in Al alloys through first-principles calculations. Based on two distribution models of solute atoms, namely, the uniform distribution and the Fermi–Dirac distribution models, we discuss the influences of solute concentrations and finite temperatures on the increments of intrinsic stacking fault energy in the 9R phase structure. The results reveal that high-concentration solute atoms (Ga, Ge, Sc, Si, Sn, Sr, and Y) can promote 9R phase stabilization. Among them, the Sr atom shows the highest performance, but its stabilization can be disrupted by high temperature. These findings serve as a valuable guidance for designing and using high-performance Al alloys with the 9R phase structure.

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Acknowledgements

This work was supported by the National Natural Science Foundation of China (11572118, 11772122 and 51501060), the Hunan Provincial Science Fund for Distinguished Young Scholars (2015JJ1006), the National Key Research and Development Program of China (2016YFB0700300), the Key Project of Department of Education of Guangdong Province (2016GCZX008), and the Hunan Provincial Innovation Foundation For Postgraduate (CX2017B085). This work was carried out at the National Supercomputer Centers in Changsha.

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Authors and Affiliations

  1. State Key Laboratory of Advanced Design and Manufacturing for Vehicle Body, Hunan University, Changsha, 410082, Hunan Province, People’s Republic of China

    Zhipeng Wang & Qihong Fang

  2. School of Material Science and Energy Engineering, Foshan University, Foshan, 528001, Guangdong Province, People’s Republic of China

    Touwen Fan & Dongchu Chen

  3. State Key Laboratory for Powder Metallurgy, Central South University, Changsha, 410083, Hunan Province, People’s Republic of China

    Bin Liu & Feng Liu

  4. Key Laboratory of New Electric Functional Materials of Guangxi Colleges and Universities, Guangxi Teachers Education University, Nanning, 530023, Guangxi Province, People’s Republic of China

    Li Ma & Pingying Tang

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  1. Zhipeng Wang
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Correspondence to Qihong Fang, Touwen Fan or Dongchu Chen.

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Wang, Z., Fang, Q., Fan, T. et al. Effects of Solute Atoms on 9R Phase Stabilization in High-Performance Al Alloys: A First-Principles Study. JOM 71, 2047–2053 (2019). https://doi.org/10.1007/s11837-019-03420-z

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  • DOI: https://doi.org/10.1007/s11837-019-03420-z

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