Non-Arrhenius diffusion in bcc titanium: Vacancy-interstitialcy model

2020 ◽  
Vol 102 (18) ◽  
Author(s):  
Grigory Smirnov
Keyword(s):  
Titanium Vacancy

Computer Simulation of Plastic Deformation in Tial Alloys in the Presence of Chromium

2018 ◽  
Vol 386 ◽  
pp. 383-387 ◽  
Author(s):  
Anton Gnidenko
Keyword(s):  
Computer Simulation ◽  
Plastic Deformation ◽  
Shear Modulus ◽  
Titanium Aluminide ◽  
Shear Resistance ◽  
Quantum Mechanical ◽  
Quantum Mechanical Calculations ◽  
Tial Alloys ◽  
Shear Rupture ◽  
Titanium Vacancy

Quantum-mechanical calculations were used to investigate shear rupture in intermetallic titanium aluminide (TiAl) alloys in the presence of vacancy or chromium dopant. The substitution of both Ti and Al atoms by Cr atoms in the γ-TiAl crystal lattice was considered. The simulation of shear was carried out in the (111) slip plane along two directions, namely the [110] and [11-2]. The decrease in the shear resistance of the defects present in the γ-TiAl lattice was estimated. It was shown that when chromium occupies a titanium vacancy, it can compensate for this defect by increasing the shear modulus for the {111} <110> slip system.

The structure evolution of titanium–vacancy complex in a vanadium-based alloy

2020 ◽  
Vol 56 (6) ◽  
pp. 4433-4445
Author(s):  
Xiao-Tong Li ◽  
Xiao-Zhi Tang ◽  
Ya-Fang Guo
Keyword(s):  
Structure Evolution ◽  
Vacancy Complex ◽  
Titanium Vacancy

First principles calculations of Hydrogen—Titanium vacancy complexes in SrTiO3

2013 ◽  
Vol 39 ◽  
pp. S273-S276 ◽  
Author(s):  
Ittipon Fongkaew ◽  
Jiraroj T-Thienprasert ◽  
D.J. Singh ◽  
M.-H. Du ◽  
Sukit Limpijumnong
Keyword(s):  
First Principles ◽  
First Principles Calculations ◽  
Titanium Vacancy

Titanium vacancy defects in sol–gel prepared anatase

2007 ◽  
Vol 180 (2) ◽  
pp. 670-678 ◽  
Author(s):  
Ian.E. Grey ◽  
Nicholas C. Wilson
Keyword(s):  
Sol Gel ◽  
Vacancy Defects ◽  
Titanium Vacancy

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

2019 ◽  
Vol 806 ◽  
pp. 130-135
Author(s):  
Anton Gnidenko
Keyword(s):  
Titanium Aluminide ◽  
Density Functional ◽  
Shear Resistance ◽  
Quantum Mechanical ◽  
Alloying Element ◽  
Functional Theory ◽  
The Density Functional Theory ◽  
Shear Rupture ◽  
Negative Effect ◽  
Titanium Vacancy

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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