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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

  • Topical Collection: Superalloys and Their Applications
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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 \(\gamma ^\prime \) precipitates. In the current study, 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 is used to assess the effects of composition and temperature of a series of pseudo-binary alloys based on the \(({\mathrm{Ni}}_{75-x}{\mathrm{X}}_{x}){\mathrm{Al}}_{25}\) 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.

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Acknowledgments

This study made use of these computational facilities: (a) the University of Birmingham’s BlueBEAR HPC service (http://www.birmingham.ac.uk/bear), (b) MidPlus Regional HPC Center (www.hpc-midlands-plus.ac.uk), and (c) Beskow cluster (https://www.pdc.kth.se/hpc-services/computing-systems/beskow-1.737436). The authors are therefore very much grateful and would like to thank them for making this study possible. The authors would like, as well, to thank the EPSRC (Grant EP/M021874/1) and EU FP7 (Grant GA109937) for their financial support. Part of this study (A. Breidi) has been carried out within the framework of the EUROfusion Consortium and has received funding from the Euratom research and training programme 2014-2018 under the Grant Agreement No. 633053 and from the RCUK Energy Programme [Grant Number EP/P012450/1]. The views and opinions expressed herein do not necessarily reflect those of the European Commission.

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Authors and Affiliations

  1. School of Metallurgy and Materials, University of Birmingham, Edgbaston, B15 2TT, UK

    J. D. T. Allen & A. Mottura

  2. UK Atomic Energy Authority, Culham Science Centre, Oxfordshire, OX14 3DB, UK

    A. Breidi

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  1. J. D. T. Allen
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  2. A. Mottura
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Correspondence to A. Breidi.

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Manuscript submitted March 18, 2018.

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Allen, J.D.T., Mottura, A. & Breidi, A. 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. Metall Mater Trans A 49, 4167–4172 (2018). https://doi.org/10.1007/s11661-018-4763-4

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