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
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: Suggested Citation