Adhesive Properties of the TiAl/Al2O3 Interface

被引：0
|
作者：
A. V. Bakulin
S. S. Kulkov
S. E. Kulkova
机构：
[1] Institute of Strength Physics and Materials Science of the Siberian Branch of the Russian Academy of Sciences,
[2] National Research Tomsk State University,undefined
来源：
Russian Physics Journal | 2020年 / 63卷
关键词：
interface; adhesion; chemical bonding; electronic structure; density functional theory;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
A systematic study of the atomic and electronic structure of the interface between the γ-TiAl alloy and α-Al2O3(0001) oxide depending on the contact configuration is performed within the density functional theory. The work of separation of the alloy film from the oxide surface is calculated for its various terminations. It is shown that high values of adhesion energy can be obtained at the interface with an O-termination of alumina due to the large ionic contribution to chemical bonding. An analysis of structural and electronic factors responsible for the decrease in adhesion at the interface with the metal oxide termination is performed. The calculation of the interfacial energy confirmed that the interface with the O-termination of alumina is energetically preferable.
引用
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页码：713 / 720
页数：7
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