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

O. Y. Kontsevoi, Y. N. Gornostyrev, A. F. Maksyutov, K. Y. Khromov, Arthur J Freeman

Research output: Contribution to journalArticle

8 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)559-566
Number of pages8
JournalMetallurgical and Materials Transactions A: Physical Metallurgy and Materials Science
Volume36
Issue number3
Publication statusPublished - Mar 2005

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antiphase boundaries
Phase stability
Stacking faults
crystal defects
Intermetallics
intermetallics
Yield stress
plane waves
anomalies
temperature dependence
Electrons
electronics
electrons
Temperature

ASJC Scopus subject areas

  • Materials Science(all)
  • Metals and Alloys

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Dislocation structure, phase stability, and yield stress behavior of L12 Intermetallics : Ir3X (X = Ti, Zr, Hf, V, Nb, Ta). / Kontsevoi, O. Y.; Gornostyrev, Y. N.; Maksyutov, A. F.; Khromov, K. Y.; Freeman, Arthur J.

In: Metallurgical and Materials Transactions A: Physical Metallurgy and Materials Science, Vol. 36, No. 3, 03.2005, p. 559-566.

Research output: Contribution to journalArticle

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