An Intelligent Approach to Obtain Three-Dimensional Diffusion Matrix of Ternary System: Application to Fcc Co–Cu–Mn Alloys

33 Pages Posted: 19 Nov 2021

See all articles by Huixin Liu

Huixin Liu

Central South University - State Key Laboratory of Powder Metallurgy

Yuling Liu

Central South University - State Key Laboratory of Powder Metallurgy

Changfa Du

Central South University - School of Mathematics and Statistics

Shiyi Wen

Central South University - State Key Laboratory of Powder Metallurgy

Qianhui Min

Central South University - State Key Laboratory of Powder Metallurgy

Shuhong Liu

Central South University - State Key Laboratory of Powder Metallurgy

Milena Premovic

University of Prishtina - Faculty of Technical Science

Jieqiong Hu

Sino-Precious Metals Holding Co., Ltd.

Ming Xie

Sino-Precious Metals Holding Co., Ltd.

Yong Du

Central South University - State Key Laboratory of Powder Metallurgy

Abstract

Accurate diffusivities and atomic mobilities of fcc Co–Cu–Mn alloys are essential for developing novel high-entropy alloys. However, no ternary interdiffusion information of Co–Cu–Mn alloys is available in the literature. Twelve diffusion couples are prepared to determine the diffusivities in fcc Co–Cu–Mn alloys at the temperature ranges from 1373-1473 K. The diffusivity matrices of version 1 and version 2, respectively, which are determined by the traditional Matano-Kirkaldy method and novel numerical inverse approach, and the corresponding atomic mobilities are intelligently extracted in CALTPP program. The good consistency of the two versions of diffusivities demonstrates the high precision of diffusivities extracted by the novel numerical inverse approach. Further comparisons show that the novel numerical inverse approach can determine the diffusivities more efficiently and give more composition-dependent diffusivities, and obtain more reliable atomic mobilities. The atomic mobility parameters of version 2 are further used to construct the three-dimensional diffusion matrix of the fcc Co–Cu–Mn system. The presently obtained kinetic parameters are key input for the computation design for high-entropy alloys.

Keywords: High-Entropy Alloys, Fcc Co-Cu-Mn Alloys, Diffusivity Matrices, Matano-Kirkaldy Method, Novel Numerical Inverse Approach

Suggested Citation

Liu, Huixin and Liu, Yuling and Du, Changfa and Wen, Shiyi and Min, Qianhui and Liu, Shuhong and Premovic, Milena and Hu, Jieqiong and Xie, Ming and Du, Yong, An Intelligent Approach to Obtain Three-Dimensional Diffusion Matrix of Ternary System: Application to Fcc Co–Cu–Mn Alloys. Available at SSRN: https://ssrn.com/abstract=3967385 or http://dx.doi.org/10.2139/ssrn.3967385

Huixin Liu

Central South University - State Key Laboratory of Powder Metallurgy ( email )

Hunan, 410083
China

Yuling Liu

Central South University - State Key Laboratory of Powder Metallurgy ( email )

Changsha, Hunan 410083
China

Changfa Du

Central South University - School of Mathematics and Statistics ( email )

Hunan
China

Shiyi Wen

Central South University - State Key Laboratory of Powder Metallurgy ( email )

Changsha, Hunan 410083
China

Qianhui Min

Central South University - State Key Laboratory of Powder Metallurgy ( email )

Changsha, Hunan 410083
China

Shuhong Liu

Central South University - State Key Laboratory of Powder Metallurgy ( email )

Changsha, Hunan 410083
China

Milena Premovic

University of Prishtina - Faculty of Technical Science ( email )

Kosovska Mitrovica
Serbia

Jieqiong Hu

Sino-Precious Metals Holding Co., Ltd. ( email )

Kunming, 650106
China

Ming Xie

Sino-Precious Metals Holding Co., Ltd. ( email )

Kunming, 650106
China

Yong Du (Contact Author)

Central South University - State Key Laboratory of Powder Metallurgy ( email )

Changsha, Hunan 410083
China

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