Ternary Al–Mo–Y phase diagram and the new phase Al4Mo2Y

Xiaoxian Chen; Yongzhong Zhan; Feng Han; Fuda Guo; Chengxia Wei

doi:10.3139/146.111568

Article

Ternary Al–Mo–Y phase diagram and the new phase Al₄Mo₂Y

Xiaoxian Chen , Yongzhong Zhan , Feng Han , Fuda Guo and Chengxia Wei

Published/Copyright: December 18, 2017

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From the journal International Journal of Materials Research Volume 109 Issue 1

Abstract

The phase equilibria in the Al–Mo–Y system have been experimentally investigated at 873 K. The existence of 10 binary compounds and 1 ternary phase Al₄₃Mo₄Y₆ has been confirmed by using X-ray powder diffraction and scanning electron microscopy equipped with energy dispersive X-ray analysis. A new ternary phase Al₄Mo₂Y with space group I4/mmm (No. 139) has been found at 873 K. The structure, phase stability, elastic properties and densities of state of the Al₄Mo₂Y compound have been theoretically investigated by using first-principles calculations. The result of cohesive energy proves that Al₄Mo₂Y is stable. The elastic constants, bulk modulus, shear modulus, Young's modulus, the ratio of bulk modulus/shear modulus and Poisson's ratio of Al₄Mo₂Y are presented. According to the phase-disappearing method, the solubility of Al in Mo, AlMo₃ and Al₈Mo₃ phase is determined to be about 16 at.%, 7.5 at.% and 1 at.%, respectively.

Keywords: Al–Mo–Y; Ternary system; Phase diagram; Compound; First principles

*Correspondence address, Prof. Dr. Yongzhong Zhan, College of Materials Science and Engineering, Guangxi University, Nanning, Guangxi 530004, P. R. China, Tel.: +86 771 3233530, E-mail: zyzmatres@aliyun.com

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Received: 2017-06-06

Accepted: 2017-08-08

Published Online: 2017-12-18

Published in Print: 2018-01-09

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https://doi.org/10.3139/146.111568

Keywords for this article

Al–Mo–Y; Ternary system; Phase diagram; Compound; First principles