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HomeAdvances in Science and TechnologyAdvances in Science and Technology Vol. 72A Molecular Dynamics Study on Pressure Dependence...

A Molecular Dynamics Study on Pressure Dependence of Ag Diffusion in Ag₃SI

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Abstract:

The pressure dependence of the diffusion coefficient in the superionic α- and β-phases of Ag3SI has been studied by using the method of molecular dynamics. It is shown that in the high temperature α-phase, the Ag diffusion coefficient decreases with pressure. On the hand, in the intermediate temperature β-phase, the Ag diffusion coefficient exhibits a maximum at around 2.8 GPa. The structural origin of this behavior is discussed through the pressure dependence of the pair distribution functions.

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Periodical:

Advances in Science and Technology (Volume 72)

Pages:

337-342

DOI:

https://doi.org/10.4028/www.scientific.net/AST.72.337

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Online since:

October 2010

Authors:

Masakazu Yarimitsu, Masaru Aniya

Keywords:

Ag₃SI, Diffusion, Molecular Dynamic (MD), Pressure

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© 2010 Trans Tech Publications Ltd. All Rights Reserved

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