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

Abstract:

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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:

Edited by:

Pietro VINCENZINI, Cynthia POWELL, Marco VITTORI ANTISARI, Vincenzo ANTONUCCI and Fausto CROCE

Pages:

337-342

DOI:

10.4028/www.scientific.net/AST.72.337

Citation:

M. Yarimitsu and M. Aniya, "A Molecular Dynamics Study on Pressure Dependence of Ag Diffusion in Ag3SI", Advances in Science and Technology, Vol. 72, pp. 337-342, 2010

Online since:

October 2010

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Price:

$35.00

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