Equilibrium Fluid-Solid Coexistence of Hard Spheres
نویسندگان
چکیده
منابع مشابه
Equilibrium fluid-solid coexistence of hard spheres.
We present a tethered Monte Carlo simulation of the crystallization of hard spheres. Our method boosts the traditional umbrella sampling to the point of making practical the study of constrained Gibbs' free energies depending on several crystalline order parameters. We obtain high-accuracy estimates of the fluid-crystal coexistence pressure for up to 2916 particles (enough to accommodate fluid-...
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We calculate the phase behavior of hard spheres with size polydispersity, using accurate free energies for the fluid and solid phases. Cloud and shadow curves are found exactly by the moment free energy method, but we also compute the complete phase diagram, taking full account of fractionation. In contrast to earlier, simplified treatments we find no point of equal concentration between fluid ...
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ژورنال
عنوان ژورنال: Physical Review Letters
سال: 2012
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.108.165701