Freezing of polydisperse hard spheres
David A. Kofke, Peter G. Bolhuis
Abstract
David A. Kofke, Peter G. Bolhuis
Abstract
Freezing of polydisperse hard spheres is studied by Monte Carlo simulation and the results are interpreted with a cell model of the solid. The results supplement an earlier study of freezing of nearly monodisperse hard spheres and, within the assumption of a substitutionally disordered solid, a complete description of the freezing behavior is obtained. The density and polydispersity of the precipitate are characterized by a single curve, regardless of the composition of the fluid from which it is formed. Fractionation enables a fluid of arbitrary polydispersity to precipitate a solid of small polydispersity, dispeling the long-held notion of a fluid-phase ``critical'' polydispersity, beyond which it cannot form a solid. Nevertheless, a primary conclusion from the previous study is confirmed: a solid crystalline phase of polydispersity exceeding 5.7% of the average sphere diameter cannot be precipitated from a fluid phase.
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Freezing of polydisperse hard spheres is studied by Monte Carlo simulation and the results are interpreted with a cell model of the solid. The results supplement an earlier study of freezing of nearly monodisperse hard spheres and, within the assumption of a substitutionally disordered solid, a complete description of the freezing behavior is obtained. The density and polydispersity of the precipitate are characterized by a single curve, regardless of the composition of the fluid from which it is formed. Fractionation enables a fluid of arbitrary polydispersity to precipitate a solid of small polydispersity, dispeling the long-held notion of a fluid-phase ``critical'' polydispersity, beyond which it cannot form a solid. Nevertheless, a primary conclusion from the previous study is confirmed: a solid crystalline phase of polydispersity exceeding 5.7% of the average sphere diameter cannot be precipitated from a fluid phase.
Key concepts: Dispersity, Hard spheres, SPHERES, Materials science, Phase (matter), Thermodynamics, Monte Carlo method, Fractionation