A Molecular Dynamics Study on Pressure Dependence of Ag Diffusion in Ag3SI
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.
Pietro VINCENZINI, Cynthia POWELL, Marco VITTORI ANTISARI, Vincenzo ANTONUCCI and Fausto CROCE
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