Short Order and Hydrogen Transport in Amorphous Palladium Materials

Abstract:

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Molecular dynamics simulation was used for investigating hydrogen migration in Pd-Si alloy at a temperature Т = 300 K. The strong affect of hydrogen dynamics and its defects creation to structure of palladium matrix is stated. The partial radial distribution function calculation for silicon specifies a preferable arrangement of silicon atoms relative to each other in the second coordination sphere. Model calculations have shown that not only silicon atoms can affect hydrogen mobility. Hydrogen itself also can significantly change the diffusion of the other components in the alloy.

Info:

Periodical:

Defect and Diffusion Forum (Volumes 283-286)

Edited by:

Andreas Öchsner, Graeme E. Murch and Ali Shokuhfar

Pages:

149-154

DOI:

10.4028/www.scientific.net/DDF.283-286.149

Citation:

E.A. Pastukhov et al., "Short Order and Hydrogen Transport in Amorphous Palladium Materials", Defect and Diffusion Forum, Vols. 283-286, pp. 149-154, 2009

Online since:

March 2009

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Price:

$35.00

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