Solid-liquid interfacial free energy of small colloidal hard-sphere crystals

被引:44
作者
Cacciuto, A [1 ]
Auer, S [1 ]
Frenkel, D [1 ]
机构
[1] FOM, Inst Atom & Mol Phys, NL-1098 SJ Amsterdam, Netherlands
关键词
D O I
10.1063/1.1607307
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Using free-energy calculations on small crystalline clusters, we estimate the free-energy density gamma(SL) for the solid-liquid equimolar interface of a system of hard-sphere colloids. By studying the behavior of a crystallite at coexistence, we determine the dependence of gamma(SL) on the radius of curvature of the interface. An extrapolation to infinite radius of curvature (flat interface), yields gamma(SL)(R-->infinity)=0.616(3), in good agreement with recent numerical estimates. Subsequently, we consider the dependence of the interfacial free-energy density on the degree of supersaturation. Our simulations suggest that the gamma(SL) associated with the equimolar surface is fairly insensitive to changes in supersaturation. (C) 2003 American Institute of Physics.
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页码:7467 / 7470
页数:4
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