Theory of Thermodynamics of Simple Liquid Metallic Systems.
The theory of liquids and the theory of simple metals are described in detail. They are combined to give a general theory of thermodynamics of simple liquid metals. Several liquid metallic systems are considered. First, we apply the theory to liquid Si and Ge, which are metals in their liquid phases. The results of a calculation which involves the second-order band-structure energy are not fully satisfactory in comparison with experiments. With the inclusion of the third-order band-structure energy, the calculated compressibility of Si is in better agreement with experiment. Secondly, we apply the theory to the polystyrene sphere ('polyball') aqueous suspensions, in which the negatively charged polyballs play the role of ions while the H(,3)O('+) in the solution that of electrons. The freezing behavior of the polyball suspension is studied assuming Debye-Huckel interactions between the polyballs. The glass-forming trends and miscibility of polyball mixtures are also considered. The results are shown to be in good agreement with experiments. Lastly, we study another important property of liquid metals: surface tension. A density-functional theory is implemented to give a microscopic theory of surface tension of simple liquid metals. We then generalize this theory to liquid metal alloys. With a hyperbolic tangent concentration profile, we are able to generate the experimentally observed effect of segregation of impurities to the surface within our theory.
- Pub Date:
- Physics: Condensed Matter