Effect of Si and Ti5Si3 on the adhesion at the α-Al2O3/γ-TiAl interface and oxygen diffusion in the alloy
https://doi.org/10.17586/2220-8054-2025-16-4-460-466
Abstract
The effect of silicon and Ti5Si3 films on the adhesion properties of the α-Al2O3/γ-TiAl interface and oxygen diffusion in TiAl was studied using the projector augmented-wave method within density functional theory. It was shown that the formation of intermediate silicide layers at the oxide–alloy interface can lead to a significant decrease in the oxygen diffusion coefficient. At the same time, adhesion at the oxide–silicide interface remains high, while for the silicide–alloy interface, the values of ∼2.26–2.80 J/m2 typical for interfaces with metallic and metal-covalent bonds were obtained.
Keywords
Supporting agencies: The work was performed according to the Government research assignment for ISPMS SB RAS, project FWRW-2022-0001. Numerical calculations were performed using the SKIF Cyberia supercomputer at Tomsk State University.
About the Authors
A. V. Bakulin
Institute of Strength Physics and Materials Science of the Siberian Branch of the Russian Academy of Sciences
Russian Federation
Russian Federation
Alexander V. Bakulin
Tomsk
L. S. Chumakova
Institute of Strength Physics and Materials Science of the Siberian Branch of the Russian Academy of Sciences
Russian Federation
Russian Federation
Lora S. Chumakova
Tomsk
S. E. Kulkova
Institute of Strength Physics and Materials Science of the Siberian Branch of the Russian Academy of Sciences
Russian Federation
Russian Federation
Svetlana E. Kulkova
Tomsk
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Review
For citations:
Bakulin A.V., Chumakova L.S., Kulkova S.E. Effect of Si and Ti5Si3 on the adhesion at the α-Al2O3/γ-TiAl interface and oxygen diffusion in the alloy. Nanosystems: Physics, Chemistry, Mathematics. 2025;16(4):460-466. https://doi.org/10.17586/2220-8054-2025-16-4-460-466
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