Электронная библиотека (репозиторий) Томского государственного университета
2021
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    Add   Ab initio investigation of Co/TaC interfaces
    Authors: Hocker, Stephen | Lipp, Hansjörg | Schmauder, Siegfried | Bakulin, Alexander V. | Kulkova, Svetlana E.
    Source: Journal of alloys and compounds. 2021. Vol. 853. P. 156944 (1-9)
    Type: статьи в журналах
    Date: 2021
    Description: Co(0001)/TaC(01) interfaces with Re impurities are investigated using the plane-wave pseudopotential method within density functional theory. Two interface configurations and several interfacial sites ... More
    Add   Adhesion properties of clean and doped Ti3Al/Al2O3 interface
    Authors: Bakulin, Alexander V. | Kulkov, Sergey S. | Kulkova, Svetlana E.
    Source: Applied surface science. 2021. Vol. 536. P. 147639 (1-10)
    Type: статьи в журналах
    Date: 2021
    Description: The adhesion at the Ti3Al/Al2O3 internal interface is estimated in dependence on interfacial layer composition and contact configuration using ab initio method. The influence of 4d-transition metals a ... More
    Add   Diffusion properties of oxygen in the α2-Ti3Al alloy
    Authors: Bakulin, Alexander V. | Kulkov, Sergey S. | Kulkova, Svetlana E.
    Source: Intermetallics. 2021. Vol. 137. P. 107281 (1-8)
    Type: статьи в журналах
    Date: 2021
    Description: Analytic expressions for the temperature-dependent diffusion coefficient of oxygen along two directions in the α2-Ti3Al alloy are obtained using Landman’s method. The estimation of oxygen diffusion co ... More
    Add   Influence of metallic and oxide intermediate layers on adhesive properties of Ti3Al/Al2O3 interface
    Authors: Bakulin, Alexander V. | Kulkov, Sergey S. | Kulkova, Svetlana E.
    Source: Russian physics journal. 2021. Vol. 64, № 4. P. 590-598
    Type: статьи в журналах
    Date: 2021
    Description: Using the projector augmented-wave method within the electron density functional theory, a systematic study of the atomic and electronic structure of the α2-Ti3Al/α-Al2O3(0001) interface with intermed ... More
    Add   Role of intermediate metal and oxide layers in change of adhesion properties of TiAl/Al2O3 interface
    Authors: Bakulin, Alexander V. | Hocker, Stephen | Kulkova, Svetlana E.
    Source: Physical Mesomechanics. 2021. Vol. 24, № 5. P. 523-532
    Type: статьи в журналах
    Date: 2021
    Description: A systematic study of the atomic and electronic structure of the γ-TiAl(111)/α-Al2O3(0001) interface with intermediate metal (Nb, Mo, Ni, Re) and oxide (Nb2O5, MoO3) layers has been performed by the p ... More
    Add   Study of the diffusion properties of oxygen in TiO2
    Authors: Bakulin, Alexander V. | Chumakova, L. S. | Kulkova, Svetlana E.
    Source: Journal of experimental and theoretical physics. 2021. Vol. 133, № 2. P. 169-174
    Type: статьи в журналах
    Date: 2021
    Description: The formation energies of oxygen vacancies and the migration barriers of oxygen in TiO2 with a rutile structure have been calculated by the projector augmented-wave method within the electron density ... More
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