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HomeKey Engineering MaterialsKey Engineering Materials Vol. 806Quantum-Mechanical Simulation of the Defects...

Quantum-Mechanical Simulation of the Defects Influence on the Shear Rupture in γ-TiAl

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Abstract:

The effect of point defects on the shear rupture resistance in titanium aluminide is investigated by the density functional theory and pseudopotential methods. Vacancies, as well as substitution atoms – tungsten and chromium were considered as points defects. The shear was simulated in the(111) slip plane for two directions, namely [110] and [11-2]. It is shown that for a {111}<110> sliding system, vacancies significantly reduce the shear resistance. However, when alloying element occupies a titanium vacancy, it can partially compensate for this negative effect.

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Periodical:

Key Engineering Materials (Volume 806)

Pages:

130-135

DOI:

https://doi.org/10.4028/www.scientific.net/KEM.806.130

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Online since:

June 2019

Authors:

Anton A. Gnidenko*

Keywords:

Chromium, Defect, Density Functional Theory, Modeling, Pseudopotential, Rupture, Shear, Titanium Aluminide, Tungsten

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© 2019 Trans Tech Publications Ltd. All Rights Reserved

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