First Principles Calculations of Phase Stabilities of YNi2 and YMgNi4

Jian Gang Niu; Hai En Xiang; Xiao Ping Dong; Li Guan; Fei Xie

doi:10.4028/www.scientific.net/AMR.152-153.1632

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HomeAdvanced Materials ResearchAdvanced Materials Research Vols. 152-153First Principles Calculations of Phase Stabilities...

First Principles Calculations of Phase Stabilities of YNi₂ and YMgNi₄

Abstract:

First-principles calculations were performed to study the relative stabilities of YNi2 and YMgNi4.The calculated results show that YMgNi4 has the higher stability than YNi2, duing to stress relaxation and ionic contribution. The preferential stability of YMgNi4 has been confirmed by calculating elastic constants and melting points.The calculated results show that YMgNi4 has the larger bulk modulus and melting point than YNi2.

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Periodical:

Advanced Materials Research (Volumes 152-153)

Pages:

1632-1635

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.152-153.1632

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Online since:

October 2010

Authors:

Jian Gang Niu, Hai En Xiang, Xiao Ping Dong, Li Guan, Fei Xie

Keywords:

First-Principle, Phase Stability, YMgNi₄, YNi₂

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