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Автор Dean C Wang
Автор Alice P Gast
Дата выпуска 1999-12-20
dc.description 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.
Формат application.pdf
Издатель Institute of Physics Publishing
Название Properties of crystallizing soft sphere systems
Тип paper
DOI 10.1088/0953-8984/11/50/307
Electronic ISSN 1361-648X
Print ISSN 0953-8984
Журнал Journal of Physics: Condensed Matter
Том 11
Первая страница 10133
Последняя страница 10141
Аффилиация Dean C Wang; Department of Chemical Engineering, Stanford University, Stanford, CA 94305-5025, USA
Аффилиация Alice P Gast; Department of Chemical Engineering, Stanford University, Stanford, CA 94305-5025, USA
Выпуск 50

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