YX-IDCRC: a general approach for calculating interdiffusion coefficients from raw experimental data and its application

The Boltzmann-Matano method and its derivatives are widely used approaches for calculating interdiffusion coefficients. However, raw practical C-x curves typically have to be modified to fit with various functions due to their fluctuations, failing to reflect their essential characteristics. Herein, we introduce YX-IDCRC and YX-IDCRC software to calculate the interdiffusion coefficient using raw C-x curves. Firstly, we apply YX-IDCRC for the ideal (not fluctuate) and simulated (with noises) data, the calculated average of the ideal data closely matches the reported result. Secondly, we propose a method to determine the FWHM interval and distinguish the abnormal points by examining the calculated. Thirdly, we prepare the Cr2O3-CaO diffusion couples in the Fe2O3 matrix, and the average at 1273, 1298, 1323, and 1348 K are calculated as 3.10×10−9, 4.82×10−9, 7.02×10−9, and 2.4×10−8 cm2·s−1, respectively. Deduction from the Arrhenius equation indicates the diffusion activation energy (ED) as 369.97±51.80 kJ·mol−1, which lies in the reported results and verifies the reliability of YX-IDCRC on the practical diffusion systems. Finally, the supervision of limitation and applicability indicates that YX-IDCRC is applicable for the binary or pseudo-binary systems with S- or half-S-shape C-x curves.