Publications

Reassessment of mobility parameters for Cantor High Entropy Alloys through an automated procedure

Khorasgani, A.R. and Kundin, J. and Divinski, S.V. and Steinbach, I.

CALPHAD: COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
Volume: 79 Pages:
DOI: 10.1016/j.calphad.2022.102498
Published: 2022

Abstract
An automated assessment procedure is performed in order to establish a sophisticated kinetic data bank, introduced and modified by applying consequential iteration steps through the cross-validation method. The nonlinear curve-fitting of the end-member parameters is replaced by a simple linear fitting function via the logarithmic form of the Arrhenius equation. The applied modifications allow us to increase the precision of the method by decreasing the fitting errors. The input data employed here are the tracer diffusion coefficients in the well investigated high entropy alloy Co–Cr–Fe–Mn–Ni. The resulting parameters are in an acceptable agreement with the previously defined parameters in the literature while providing an efficient robust tool for kinetic data base development so that it enable an adequate prediction of diffusion transport. © 2022 Elsevier Ltd

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