Journal of Physical Studies 11(3), 279–284 (2007)
DOI: https://doi.org/10.30970/jps.11.279

STRUCTURAL AND DYNAMIC PROPERTIES OF LIQUID ALKALINE-EARTH METALS

P. M. Yakibchuk^{1}, V. R. Patsahan^{1}, T. M. Patsahan^{2}
^{1}Ivan Franko National University of Lviv,
Department for Metal Physics,
8, Kyryla and Mephodiya St., Lviv, 79005, Ukraine.
^{2}Institute for Condensed Matter Physics of NAS of Ukraine,
1 Svientsitskii St., Lviv, 79011, Ukraine

The structural and dynamic properties of liquid alkaline-earth metals near their melting points are studied using the molecular dynamics simulations. To describe the mentioned systems the effective pair potential based on the electron-ionic model potential of Fiolhais [C. Fiolhais, J. P. Perdew, S. Q. Armster, J. M. MacLaren, M. Brajczewska, Phys. Rev. B {\bf 51}, 14001 (1995)] is used. The velocity autocorrelation functions and the functions of mean-square displacement are obtained to calculate the self-diffusion coefficients of the liquid metals. The temperature dependencies of the self-diffusion coefficients for Ca, Mg, Sr and Ba are studied. The shear viscosity coefficients of liquid alkaline-earth metals are obtained as well. A comparison of the obtained results with the data calculated by means of other theoretical approaches is performed. Also, the obtained results are in good agreement with experimental data.

PACS number(s): 61.20.Ne, 61.25.Mv, 31.15.Qg