TY - JOUR
T1 - Impact of N on the Stacking Fault Energy and Phase Stability of FCC CrMnFeCoNi
T2 - An Ab Initio Study
AU - Ikeda, Yuji
AU - Körmann, Fritz
PY - 2021
Y1 - 2021
N2 - 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.
AB - 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.
KW - ab initio calculation
KW - CrMnFeCoNi
KW - interstitial N alloying
KW - stacking-fault energy
UR - http://www.scopus.com/inward/record.url?scp=85105168924&partnerID=8YFLogxK
U2 - 10.1007/s11669-021-00877-x
DO - 10.1007/s11669-021-00877-x
M3 - Article
AN - SCOPUS:85105168924
SN - 1547-7037
VL - 42
SP - 551
EP - 560
JO - Journal of Phase Equilibria and Diffusion
JF - Journal of Phase Equilibria and Diffusion
IS - 5
ER -