Theoretical study of oxygen sorption and diffusion in the volume and on the surface of a γ-TiAl alloy

The oxygen sorption on the low-index (001), (100), and (110) surfaces of a γ-TiAl alloy is studied by the pseudopotential method with the generalized gradient approximation for the exchange-correlation functional. The most preferred sites for oxygen sorption in the bulk and on the surface of the all...

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Bibliographic Details
Published in:Journal of experimental and theoretical physics Vol. 120, № 2. P. 257-267
Other Authors: Bakulin, Alexander V., Hu, Q. M., Yang, Rui, Kulkova, Svetlana E.
Format: Article
Language:English
Subjects:
Online Access:http://vital.lib.tsu.ru/vital/access/manager/Repository/vtls:000577386
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