First Principles Calculations of Phase Stabilities of YNi2 and YMgNi4

Abstract:

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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.

Info:

Periodical:

Advanced Materials Research (Volumes 152-153)

Edited by:

Zhengyi Jiang, Jingtao Han and Xianghua Liu

Pages:

1632-1635

DOI:

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

Citation:

J. G. Niu et al., "First Principles Calculations of Phase Stabilities of YNi2 and YMgNi4", Advanced Materials Research, Vols. 152-153, pp. 1632-1635, 2011

Online since:

October 2010

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Price:

$35.00

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