First Principles Study of Bonding Mechanisms at the TiAl/TiO<sub>2</sub> Interface

First Principles Study of Bonding Mechanisms at the TiAl/TiO<sub>2</sub> Interface

The adhesion properties of the TiAl/TiO<sub>2</sub> interface are estimated in dependence on interfacial layer composition and contact configuration using the projector augmented wave method. It is shown that a higher value of the work of separation is obtained at the interface between t...

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Bibliographic Details
Main Authors: Alexander V. Bakulin, Sergey S. Kulkov, Svetlana E. Kulkova, Stephen Hocker, Siegfried Schmauder
Format: Article
Language:English
Published: MDPI AG 2020-09-01
Series:Metals
Subjects:
interface
adhesion
titanium aluminides
titanium dioxide
electronic structure
first principles calculations
Online Access:https://www.mdpi.com/2075-4701/10/10/1298

Internet

https://www.mdpi.com/2075-4701/10/10/1298

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