Quantum-Mechanical Simulation of the Defects Influence on the Shear Rupture in γ-TiAl
| Autor: | Anton A. Gnidenko |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
010302 applied physics
Titanium aluminide Materials science Mechanical Engineering chemistry.chemical_element 02 engineering and technology Tungsten 021001 nanoscience & nanotechnology 01 natural sciences Pseudopotential chemistry.chemical_compound Chromium chemistry Shear (geology) Mechanics of Materials 0103 physical sciences General Materials Science Density functional theory Composite material 0210 nano-technology Quantum |
| Zdroj: | Key Engineering Materials. 806:130-135 |
| ISSN: | 1662-9795 |
| DOI: | 10.4028/www.scientific.net/kem.806.130 |
| Popis: | 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} sliding system, vacancies significantly reduce the shear resistance. However, when alloying element occupies a titanium vacancy, it can partially compensate for this negative effect. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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