First-Principles Investigations of the Structural, Anisotropic Mechanical, Thermodynamic and Electronic Properties of the AlNi2Ti Compound

First-Principles Investigations of the Structural, Anisotropic Mechanical, Thermodynamic and Electronic Properties of the AlNi2Ti Compound

In this paper, the electronic, mechanical and thermodynamic properties of AlNi2Ti are studied by first-principles calculations in order to reveal the influence of AlNi2Ti as an interfacial phase on ZTA (zirconia toughened alumina)/Fe. The results show that AlNi2Ti has relatively high mechanical prop...

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Bibliographic Details
Main Authors: Shuli Tang, Yefei Li, Yimin Gao, Qiaoling Zheng, Zhiwei Liu, Xiangyi Ren
Format: Article
Language:English
Published: MDPI AG 2018-02-01
Series:Crystals
Subjects:
first-principles calculation
mechanical modulus
anisotropy
thermal expansion coefficient
specific heat capacity
Online Access:http://www.mdpi.com/2073-4352/8/2/93

Internet

http://www.mdpi.com/2073-4352/8/2/93

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