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Carbon effect on thermo-kinetics of Co-Cr-Fe-Mn-Ni high entropy alloys: A computational study validated by interdiffusion experiments

Riyahi khorasgani, A and Kundin, J and Lukianova, O and Esakkiraja, N and Paul, A and Divinski, S and Steinbach, I (2023) Carbon effect on thermo-kinetics of Co-Cr-Fe-Mn-Ni high entropy alloys: A computational study validated by interdiffusion experiments. In: Acta Materialia, 261 .

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Official URL: https://doi.org/10.1016/j.actamat.2023.119358


Interstitial alloying is nowadays an important direction for further developments of High Entropy Alloys. In this work, the impact of interstitial carbon on the thermodynamics–kinetics coupling in CoCrFeMnNi-based HEAs is studied through CALPHAD and continuum approaches. First, purely thermodynamic characteristics (phase diagrams and chemical potentials) are calculated. Then purely kinetics properties, i.e., carbon-content dependent mobilities of substitutional elements are modeled, based on experimental data. Consequently, a continuum model is applied to combine these properties in order to simulate interdiffusion in carbon-free/carbon-bearing HEA couples, underlining mutual influence of carbon and matrix elements diffusion on each other. The results are benchmarked against the experimental composition profiles and a very good agreement is observed, specially when carbon effect for all elements is explicitly included. A non-monotonous dependence of the chromium up-hill diffusion on the carbon content is explained by a strong thermodynamic interaction between carbon and chromium elements. © 2023 Acta Materialia Inc.

Item Type: Journal Article
Publication: Acta Materialia
Publisher: Acta Materialia Inc
Additional Information: The copyright for this article belongs to the Acta Materialia Inc
Keywords: Alloying elements; Carbon; Chromium alloys; Cobalt alloys; Continuum mechanics; Entropy; High-entropy alloys; Iron alloys; Kinetics; Manganese alloys; Nickel alloys, Calphad; Carbon content; Carbon effects; Computational studies; Continuum model; Diffusion couple; High entropy alloys; Interdiffusion; Thermokinetics; Tracer diffusion, Diffusion
Department/Centre: Division of Mechanical Sciences > Materials Engineering (formerly Metallurgy)
Date Deposited: 01 Dec 2023 03:35
Last Modified: 01 Dec 2023 03:35
URI: https://eprints.iisc.ac.in/id/eprint/83366

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