Atomic transport properties of liquid alkaline earth metals: a comparison of scaling laws proposed for diffusion and viscosity

Korkmaz S. D., Korkmaz S.

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, vol.15, no.3, pp.285-294, 2007 (SCI-Expanded) identifier identifier


Certain atomic transport and surface properties of liquid alkaline earth metals are reported. The diffusion and viscosity coefficient of liquid Mg, Ca, Sr and Ba metals are calculated using scaling laws which express the possible relationship between the excess entropy and transport properties of liquids. The excess entropies are computed by the two body approximation. As the input pseudopotential, the individual version of the electron-ion potential proposed by Fioalhais and coworkers which was originally developed for the solid state is used. Static structure factors are derived from the solution of the Ornstein-Zernike integral equation with Rogers-Young closure. From present investigations, it is shown that these scaling laws lead to a good estimation for the diffusion and viscosity coefficients of liquid alkaline earth metals.