Journal
JOURNAL OF ALLOYS AND COMPOUNDS
Volume 846, Issue -, Pages -Publisher
ELSEVIER SCIENCE SA
DOI: 10.1016/j.jallcom.2020.156321
Keywords
High entropy alloys; Stacking fault energy; Lattice distortion; Density functional theory
Categories
Funding
- National Key Research and Development Program of China [2017YFB0701700]
- National Natural Science Foundation of China [51872017]
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The stacking fault energy (SFE) plays an important role in the deformation mode selection and consequently the mechanical properties of high entropy alloys. In the present work, the SFEs of face-centered cubic (fcc) CoCrFeNi and Al0.57CoCrFeNi HEAs are calculated by using first-principles calculations. The influence of the local lattice distortion (LLD) on the SFE is explored. We show that the addition of Al to CoCrFeNi alloy increases the intrinsic SFE (ISFE, gamma(isf)) but decreases the unstable SFE (USFE, gamma(usf)) such that the energy barrier (gamma(usf) - gamma(isf)) for the < 11 (2) over bar >(111) slip decreases. The lattice distortion contributes significantly to the ISFE but has limited influence on the USFE, leading to decline of the slip energy barriers of both alloys. The ISFE and slip energy barrier differences between the two alloys are enhanced by the lattice distortion. Based on the calculated ISFE and slip energy barrier, the effects of Al alloying and lattice distortion on the mechanical properties of CoCrNiFe HEA are discussed. (C) 2020 Published by Elsevier B.V.
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