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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Autors principals:	Shuli Tang, Yefei Li, Yimin Gao, Qiaoling Zheng, Zhiwei Liu, Xiangyi Ren
Format:	Artigo
Idioma:	Inglês
Publicat:	MDPI AG 2018-02-01
Col·lecció:	Crystals
Matèries:	first-principles calculation mechanical modulus anisotropy thermal expansion coefficient specific heat capacity
Accés en línia:	http://www.mdpi.com/2073-4352/8/2/93
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