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

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Authors

Colleges, School and Institutes

External organisations

  • UK ATOMIC ENERGY AUTHORITY

Abstract

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.

Details

Original languageEnglish
Pages (from-to)4167–4172
JournalMetallurgical and Materials Transactions A
Volume49
Issue number9
Early online date13 Jul 2018
Publication statusE-pub ahead of print - 13 Jul 2018