Automated Development of an Accurate Diffusion Database in Fcc AlCoCrFeNi High-Entropy Alloys from a Big Dataset of Composition Profiles

Jing Zhong; Qin Li; Chunming Deng; Lijun Zhang

doi:10.3390/ma15093240

Automated Development of an Accurate Diffusion Database in Fcc AlCoCrFeNi High-Entropy Alloys from a Big Dataset of Composition Profiles

Materials (Basel). 2022 Apr 30;15(9):3240. doi: 10.3390/ma15093240.

Authors

Jing Zhong¹, Qin Li¹, Chunming Deng², Lijun Zhang^{1

2}

Affiliations

¹ State Key Laboratory of Powder Metallurgy, Central South University, Changsha 410083, China.
² Institute of New Materials, Guangdong Academy of Sciences, National Engineering Laboratory for Modern Materials Surface Engineering Technology, The Key Lab of Guangdong for Modern Surface Engineering Technology, Guangzhou 510651, China.

Abstract

This study aims to incorporate a big dataset of composition profiles of fcc AlCoCrFeNi alloys, in addition to those of the related subsystem, to develop a self-consistent kinetic description for quinary high-entropy alloys. The latest feature of the HitDIC (High-throughput Determination of Interdiffusion Coefficients) code was adopted in a high-throughput and automatic manner for accommodating a dataset of composition profiles with up to 87 diffusion couples. A good convergence for the optimization process was achieved, while satisfactory results regarding the composition profiles and previously evaluated diffusion properties were obtained. Here, we present an investigation into the elemental effect of Al towards interdiffusion and tracer diffusion, and their potential effect on creep and precipitation processes.

Keywords: AlCoCrFeNi; HitDIC; automation; diffusion; high-entropy alloy.

Abstract

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