Negative yield stress temperature anomaly and structural instability of Pt3Al

Yu N. Gornostyrev, O. Yu Kontsevoi, A. F. Maksyutov, Arthur J Freeman, M. I. Katsnelson, A. V. Trefilov, A. I. Lichtenshtein

Research output: Contribution to journalArticle

13 Citations (Scopus)

Abstract

First-principles electronic structure and total energy calculations of the phase stability and dislocation properties of Pt3Al are employed to reveal the origins of its yield stress low temperature anomaly (LTA). An analysis of the dislocation structure and mobility, based on generalized stacking fault calculations, demonstrates that the LTA is connected with the L12→D0′c structural transformation rather than, as traditionally believed, with features of the dislocation structure in the L12 phase. We also explain why the yield stress and slip geometry have a strong orientation dependence and why small deviations from stoichiometry lead to dramatic changes in its mechanical behavior.

Original languageEnglish
Article number014102
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume70
Issue number1
DOIs
Publication statusPublished - Jul 2004

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Yield stress
anomalies
Phase stability
Stacking faults
Dislocations (crystals)
Stoichiometry
Electronic structure
crystal defects
Temperature
temperature
Geometry
stoichiometry
slip
electronic structure
deviation
geometry
energy

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Gornostyrev, Y. N., Kontsevoi, O. Y., Maksyutov, A. F., Freeman, A. J., Katsnelson, M. I., Trefilov, A. V., & Lichtenshtein, A. I. (2004). Negative yield stress temperature anomaly and structural instability of Pt3Al. Physical Review B - Condensed Matter and Materials Physics, 70(1), [014102]. https://doi.org/10.1103/PhysRevB.70.014102

Negative yield stress temperature anomaly and structural instability of Pt3Al. / Gornostyrev, Yu N.; Kontsevoi, O. Yu; Maksyutov, A. F.; Freeman, Arthur J; Katsnelson, M. I.; Trefilov, A. V.; Lichtenshtein, A. I.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 70, No. 1, 014102, 07.2004.

Research output: Contribution to journalArticle

Gornostyrev, YN, Kontsevoi, OY, Maksyutov, AF, Freeman, AJ, Katsnelson, MI, Trefilov, AV & Lichtenshtein, AI 2004, 'Negative yield stress temperature anomaly and structural instability of Pt3Al', Physical Review B - Condensed Matter and Materials Physics, vol. 70, no. 1, 014102. https://doi.org/10.1103/PhysRevB.70.014102
Gornostyrev, Yu N. ; Kontsevoi, O. Yu ; Maksyutov, A. F. ; Freeman, Arthur J ; Katsnelson, M. I. ; Trefilov, A. V. ; Lichtenshtein, A. I. / Negative yield stress temperature anomaly and structural instability of Pt3Al. In: Physical Review B - Condensed Matter and Materials Physics. 2004 ; Vol. 70, No. 1.
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