ICAMS / Interdisciplinary Centre for Advanced Materials Simulation


Reassessment of mobility parameters for Cantor high entropy alloys through an automated procedure

A. Riyahi khorasgani, J. Kundin, S. V. Divinski, I. Steinbach.

CALPHAD Journal, 79, 102498, (2022)

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.

Keyword(s): tracer diffusion; mobility parameters; multi component alloys; high entropy alloys; automated assessments; CALPHAD; cross validation
Cite as: https://www.sciencedirect.com/science/article/pii/S0364591622001018?dgcid=coauthor
DOI: 10.1016/j.calphad.2022.102498
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