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Dislocation structure, phase stability, and yield stress behavior of L12 intermetallics: Ir3X (X = Ti, Zr, Hf, V, Nb, Ta)

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Abstract

The structure and mobility of superdislocations in Ir3X (X = Ti, Zr, Hf, V, Nb, Ta) with L12 structure were investigated in the framework of the modified Peierls-Nabarro (PN) model with first-principles generalized stacking fault energetics calculated using the all-electron full-potential linearized augmented plane wave method (FLAPW). Superlattice intrinsic stacking fault (SISF)-bound superdislocations (Kear splitting scheme) are strongly preferred energetically in Ir3V, Ir3Nb, and Ir3Ta, whereas antiphase boundary (APB)-bound superdislocations (Shockley splitting scheme) are predicted in Ir3Ti, Ir3Zr, and Ir3Hf. Because APB-bound superdislocations are considered responsible for the yield stress anomaly, our results predict that positive yield stress temperature dependence could only be expected in Ir3Ti, Ir3Zr, and Ir3Hf, and a negative one in Ir3V, Ir3Nb, and Ir3Ta. The connection of the mechanical behavior of the Ir3X alloys with the L12 → D019 structural instability is established and the electronic origins of this instability are analyzed.

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Authors and Affiliations

  1. the Department of Physics and Astronomy, Northwestern University, 60208-3112, Evanston, IL

    O. Y. Kontsevoi (Research Associate), A. J. Freeman (Professor) & Y. N. Gornostyrev (Senior Research Associate, Principal Researcher)

  2. Institute of Metal Physics, 620219, Ekaterinburg, Russia

    Y. N. Gornostyrev (Senior Research Associate, Principal Researcher)

  3. the Russian Science Center “Kurchatov Institute”, 123182, Moscow, Russia

    A. F. Maksyutov (Graduate Student) & K. Y. Khromov (Researcher)

Authors
  1. O. Y. Kontsevoi
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  2. A. J. Freeman
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  3. Y. N. Gornostyrev
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  4. A. F. Maksyutov
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  5. K. Y. Khromov
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Additional information

This article is based on a presentation made in the symposium entitled “Beyond Nickel-Base Superalloys,” which took place March 14–18, 2004, at the TMS Spring meeting in Charlotte, NC, under the auspices of the SMD-Corrosion and Environmental Effects Committee, the SMD-High Temperature Alloys Committee, the SMD-Mechanical Behavior of Materials Committee, and the SMD-Refractory Metals Committee.

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Kontsevoi, O.Y., Freeman, A.J., Gornostyrev, Y.N. et al. Dislocation structure, phase stability, and yield stress behavior of L12 intermetallics: Ir3X (X = Ti, Zr, Hf, V, Nb, Ta). Metall Mater Trans A 36, 559–566 (2005). https://doi.org/10.1007/s11661-005-0170-8

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