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FCC-to-HCP Phase Transformation in CoCrNix Medium-Entropy Alloys

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Acta Metallurgica Sinica (English Letters) Aims and scope

Abstract

A hybrid first-principles/Monte Carlo simulation is combined with experiments to study the structure and elastic properties of CoCrNix (x = 1–0.5) alloys. The experimental X-ray diffraction patterns show that the structures have changed from the single-phase face-centered cubic (FCC) structure at x = 1–0.8 to the coexistence of FCC and the hexagonal close-packed structures at x = 0.7–0.5, which is further confirmed by calculations on mixing energies. The elastic moduli by calculation are basically in agreement with experiments. Room-temperature tension shows that the six alloys have a certain plasticity, the strength and plasticity of the alloys have a linear decrease with the decrease in Ni contents, and the plasticity of the alloys drops from 84 to 23%. Furthermore, first-principles density function theory calculations were employed to reveal the electronic and magnetic structures of alloys. The electron density of states for all alloys is asymmetrical, which illustrates that the alloys are ferromagnetism. It is found that Cr atoms can suppress the ferromagnetism of alloys, since Cr atoms have both positive and negative magnetic moments in all alloys.

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Acknowledgements

Jun-Wei Qiao would like to acknowledge the opening project from the National Key Laboratory for Remanufacturing (No. 61420050204), the Transformation of Scientific and Technological Achievements Programs of Higher Education Institutions in Shanxi (2019), and the opening project of the State Key Laboratory of Explosion Science and Technology (Beijing Institute of Technology, No. KFJJ20-13 M). Hua Tian would like to acknowledge the National Natural Science Foundation of China (No. 51901152).

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Authors and Affiliations

  1. College of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan, 030024, China

    Jia-Qi Zhao, Zhong Wang, Xue-Jiao Wang & Jun-Wei Qiao

  2. College of Information and Computer, Taiyuan University of Technology, Taiyuan, 030024, China

    Hua Tian

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  1. Jia-Qi Zhao
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  2. Hua Tian
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  3. Zhong Wang
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  4. Xue-Jiao Wang
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Correspondence to Hua Tian or Jun-Wei Qiao.

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Zhao, JQ., Tian, H., Wang, Z. et al. FCC-to-HCP Phase Transformation in CoCrNix Medium-Entropy Alloys. Acta Metall. Sin. (Engl. Lett.) 33, 1151–1158 (2020). https://doi.org/10.1007/s40195-020-01080-6

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  • DOI: https://doi.org/10.1007/s40195-020-01080-6

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