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Theoretical Investigation of Phase Equilibria for Metal-Hydrogen Alloy
Mohri, Tetsuo
Location: http://hdl.handle.net/2115/28233
Journal of Phase Equilibria and Diffusion. 28(1), 2007, 72-78
http://dx.doi.org/10.1007/s11669-006-9010-9

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.

Belongs to: Hokkaido University Collection of Scholarly and Academic Papers

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Theoretical Investigation of Phase Equilibria for Metal-Hydrogen Alloy
Id. 27399111
Idioma inglés
Titulo Theoretical Investigation of Phase Equilibria for Metal-Hydrogen Alloy
Autor(es) Mohri, Tetsuo
Location http://hdl.handle.net/2115/28233
Journal of Phase Equilibria and Diffusion. 28(1), 2007, 72-78
http://dx.doi.org/10.1007/s11669-006-9010-9
Versión 1.0
Estado Final
Descripción 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.
Palabras clave Cluster variation method
Tipo de recurso article
Tipo de Interactividad Expositivo
Nivel de Interactividad muy bajo
Audiencia Estudiante
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Estructura Atomic
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Copyright
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.
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Relación [References] http://www.asminternational.org/Content/NavigationMenu/Journals/Journal_of_Phase_Equilibria_and_Diffusion/Journal_of_Phase_Equilibria_and_Diffusion.htm
Fecha de contribución 26-oct-2007
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