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CALCULATIONS OF ATOMIC DYNAMICS IN SIMPLE LIQUID METALS

S. Dalgic1,* , M. Colakogullari1, S. S. Dalgic1

Affiliation

  1. Department of Physics, Trakya University, 22030, Edirne, Turkey

Abstract

We present several dynamical properties of liquid Li, Rb, and Cs near their melting points. They have been evaluated within the framework of the mode-coupling theory, using a self consistent scheme that uses as input data only the static structure functions and the interatomic pair potantials of the simple liquid metals. In this work we have used the interatomic pair potential which is derived from second order perturbation theory with Fiolhais electron-ion pseudopotential. We carried out theoretical results to compute single particle and collective time-dependent properties of liquid metals, and thereby to calculate their self diffusion constants. We have discussed our results in comparison with both experiment and molecular dynamics simulation..

Keywords

Simple liquid metals, Dynamics properties, Self-diffusion.

Submitted at: May 23, 2005
Accepted at: July 21, 2005

Citation

S. Dalgic, M. Colakogullari, S. S. Dalgic, CALCULATIONS OF ATOMIC DYNAMICS IN SIMPLE LIQUID METALS, Journal of Optoelectronics and Advanced Materials Vol. 7, Iss. 4, pp. 1993-2000 (2005)