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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).
