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Impact of N on the Stacking Fault Energy and Phase Stability of FCC CrMnFeCoNi: An Ab Initio Study

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Ikeda,  Yuji
Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;
Institute of Materials Science, University of Stuttgart, Pfaffenwaldring 55, D-70569 Stuttgart, Germany;

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Körmann,  Fritz
Computational Phase Studies, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;
Department of Materials Science and Engineering, Delft University of Technology, Mekelweg 2, 2628 CD Delft, The Netherlands;

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Citation

Ikeda, Y., & Körmann, F. (2021). Impact of N on the Stacking Fault Energy and Phase Stability of FCC CrMnFeCoNi: An Ab Initio Study. Journal of Phase Equilibria, 42, 551-560. doi:10.1007/s11669-021-00877-x.


Cite as: http://hdl.handle.net/21.11116/0000-0009-4A8A-9
Abstract
Interstitial alloying has become an important pillar in tuning and improving the materials properties of high-entropy alloys, e.g., enabling interstitial solid-solution hardening and for tuning the stacking fault energies. In this work we performed ab initio calculations to evaluate the impact of interstitial alloying with nitrogen on the fcc–hcp phase stability for the prototypical CrMnFeCoNi alloy. The N solution energies are broadly distributed and reveal a clear correlation with the local environments. We show that N addition stabilizes the fcc phase of CrMnFeCoNi and increases the stacking fault energy. © 2021, The Author(s).