Properties of crystallizing soft sphere systems
Dean C Wang; Alice P Gast; Dean C Wang; Department of Chemical Engineering, Stanford University, Stanford, CA 94305-5025, USA; Alice P Gast; Department of Chemical Engineering, Stanford University, Stanford, CA 94305-5025, USA
Журнал:
Journal of Physics: Condensed Matter
Дата:
1999-12-20
Аннотация:
In this paper, we explore the similar behaviour of the Yukawa and power law systems at crystallization. This is done within the context of our density functional theory model, the modified weighted density approximation with a static solid reference state. Some issues we probe include the stable solid crystalline structure at equilibrium, the fractional change in density upon crystallization, the Lindemann ratio of the equilibrium solid and the magnitude of the first peak of the structure factor at freezing. We find many similarities between these two classes of potentials. We also compare our findings with computer simulation and experimental results. While the theoretical and simulation results in general agree, there exists some discrepancies between these results for the Yukawa system and the experimental findings for colloidal suspensions.
107.7Кб