First-Principles Modeling of the Temperature Dependence for the Superlattice Intrinsic Stacking Fault Energies in L1_2 Ni_{75-x} X_x Al_{25} Alloys

First-Principles Modeling of the Temperature Dependence for the Superlattice Intrinsic Stacking Fault Energies in L1_2 Ni_{75-x} X_x Al_{25} Alloys

First-Principles Modeling of the Temperature Dependence for the Superlattice Intrinsic Stacking Fault Energies in L1_2 Ni_{75-x} X_x Al_{25} Alloys 150 150 UKAEA Opendata
UKAEA-CCFE-PR(18)17

First-Principles Modeling of the Temperature Dependence for the Superlattice Intrinsic Stacking Fault Energies in L1_2 Ni_{75-x} X_x Al_{25} Alloys

Stronger and more resistant alloys are required in order to increase the performance and efficiency 11 of jet engines and gas turbines. This will eventually require planar faults engineering, or a complete 12 understanding of the effects of composition and temperature on the various planar faults that 13 arise as a result of shearing of the γ precipitates. In this work, a combined scheme consisting 14 of the density functional theory, the quasi-harmonic Debye model, and the axial Ising model, in 15 conjunction with a quasistatic approach are used to assess the effect of composition and temperature 16 of a series of pseudo-binary alloys based on the (N i 75−x X x)Al 25 system using distinct relaxation 17 schemes to assess observed differences. Our calculations reveal that the (111) superlattice intrinsic 18 stacking fault energies in these systems decline modestly with temperature between 0 K and 1000 K.

Collection:
Journals
Journal:
Metallurgical and Materials Transactions A
Publisher:
Springer