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Impact of interstitial elements on the stacking fault energy of an equiatomic CoCrNi medium entropy alloy: theory and experiments

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Moravcik,  Igor
High-Entropy Alloys, Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;
NETME Centre, Institute of Materials Science and Engineering, Brno University of Technology, Technicka 2896/2, Brno, Czechia;

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Raabe,  Dierk
Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Li,  Zhiming
High-Entropy Alloys, Project Groups, Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;
School of Materials Science and Engineering, Central South University, Changsha 410083, China;

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Citation

Moravcik, I., Zelený, M., Dlouhý, A., Hadraba, H., Moravcikova-Gouvea, L., Papež, P., et al. (2022). Impact of interstitial elements on the stacking fault energy of an equiatomic CoCrNi medium entropy alloy: theory and experiments. Science and Technology of Advanced Materials, 23(1), 376-392. doi:10.1080/14686996.2022.2080512.


Cite as: https://hdl.handle.net/21.11116/0000-000A-FCED-0
Abstract
We investigated the effects of interstitial N and C on the stacking fault energy (SFE) of an equiatomic CoCrNi medium entropy alloy. Results of computer modeling were compared to tensile deformation and electron microscopy data. Both N and C in solid solution increase the SFE of the face-centered cubic (FCC) alloy matrix at room temperature, with the former having a more significant effect by 240% for 0.5 at % N. Total energy calculations based on density functional theory (DFT) as well as thermodynamic modeling of the Gibbs free energy with the CALPHAD (CALculation of PHAse Diagrams) method reveal a stabilizing effect of N and C interstitials on the FCC lattice with respect to the hexagonal close-packed (HCP) CoCrNi-X (X: N, C) lattice. Scanning transmission electron microscopy (STEM) measurements of the width of dissociated ½<110> dislocations suggest that the SFE of CoCrNi increases from 22 to 42–44 mJ·m−2 after doping the alloy with 0.5 at. % interstitial N. The higher SFE reduces the nucleation rates of twins, leading to an increase in the critical stress required to trigger deformation twinning, an effect which can be used to design load-dependent strain hardening response.