First-principles modeling of the temperature dependence for the superlattice intrinsic stacking fault energies in L12 Ni75-xXxAl25 alloys

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Stronger and more resistant alloys are required in order to increase the performance and efficiency of jet engines and gas turbines. This will eventually require planar faults engineering, or a complete understanding of the effects of composition and temperature on the various planar faults that arise as a result of shearing of the γ 0 14 precipitates. In this work, a combined scheme consisting of the density functional theory, the quasi-harmonic Debye model, and the axial Ising model, in conjunction with a quasistatic approach are used to assess the effect of composition and temperature of a series of pseudo-binary alloys based on the (N i75−xXx)Al25 system using distinct relaxation schemes to assess observed differences. Our calculations reveal that the (111) superlattice intrinsic stacking fault energies in these systems decline modestly with temperature between 0 K and 1000 K.


Original languageEnglish
Pages (from-to)4167–4172
JournalMetallurgical and Materials Transactions A
Issue number9
Early online date13 Jul 2018
Publication statusE-pub ahead of print - 13 Jul 2018