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

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.

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Impact of N on the Stacking Fault Energy and Phase Stability of FCC CrMnFeCoNi_ An Ab Initio Study - Ikeda-Körmann2021_Article_ImpactOfNOnTheStackingFaultEne.pdf (Publisher version), 3MB
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Impact of N on the Stacking Fault Energy and Phase Stability of FCC CrMnFeCoNi_ An Ab Initio Study - Ikeda-Körmann2021_Article_ImpactOfNOnTheStackingFaultEne.pdf
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2021
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 Creators:
Ikeda, Yuji1, 2, Author              
Körmann, Fritz3, 4, Author              
Affiliations:
1Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863337              
2Institute of Materials Science, University of Stuttgart, Pfaffenwaldring 55, D-70569 Stuttgart, Germany, ou_persistent22              
3Computational Phase Studies, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863341              
4Department of Materials Science and Engineering, Delft University of Technology, Mekelweg 2, 2628 CD Delft, The Netherlands, ou_persistent22              

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Free keywords: Alloying; Calculations; Materials properties; Phase stability, Ab initio calculations; Ab initio study; FCC phase; Local environments; Solid solution hardening; Solution energy; Stacking fault energies, Stacking faults
 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).

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Language(s): eng - English
 Dates: 2021-04-23
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: -
 Identifiers: DOI: 10.1007/s11669-021-00877-x
 Degree: -

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Title: Journal of Phase Equilibria
  Other : J. Phase Equilib.
Source Genre: Journal
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Publ. Info: New York, NY : Elsevier Science Pub. Co.
Pages: - Volume / Issue: 42 Sequence Number: - Start / End Page: 551 - 560 Identifier: ISSN: 1054-9714
CoNE: https://pure.mpg.de/cone/journals/resource/111085426357000