open access

https://hdl.handle.net/2115/28233

Theoretical Investigation of Phase Equilibria for Metal-Hydrogen Alloy

英語

tetrahedron-octahedron approximation

2007-02

Springer Boston

Journal of Phase Equilibria and Diffusion

28(1)

72-78

Cluster variation method (CVM) was applied to calculate phase equilibria of metal-hydrogen systems. Two subjects are introduced in the present report. One is the summary of previous studies on the Pd-H system, and it is demonstrated that a single CVM free energy formula can systematically derive information of phase equilibria, intrinsic stability, and short range order diffuse intensities. The second subject is the theoretical calculations of superabundant vacancy (SAV) formation. Within the square approximation of the CVM, it is shown that abundant vacancies are introduced with the absorption of hydrogen when the interaction between vacancy and hydrogen is considered.

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Copyright © 2007 ASM International. This paper was published in JOURNAL OF PHASE EQUILIBRIA AND DIFFUSION, 28, 1, 72-78 and is made available as an electronic reprint with the permission of ASM International. One print or electronic copy may be made for personal use only. Systematic or multiple reproduction, distribution to multiple locations via electronic or other means, duplications of any material in this paper for a fee or for commercial purposes, or modification of the content of this paper are prohibited.

1547-7037

1863-7345