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arxiv: 1402.3533 · v2 · pith:WGPI3O2Inew · submitted 2014-02-14 · ❄️ cond-mat.soft

Surface tension of isotropic-nematic interfaces: Fundamental Measure Theory for hard spherocylinders

classification ❄️ cond-mat.soft
keywords hardfunctionfunctionalspherocylinderstheoryagreementanisotropicapplied
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A fluid constituted of hard spherocylinders is studied using a density functional theory for non-spherical hard particles, which can be written as a function of weighted densities. This is based on an extended deconvolution of the Mayer $f$-function for arbitrarily shaped convex hard bodies in tensorial weight functions, which depend each only on the shape and orientation of a single particle. In the course of an examination of the isotropic- nematic interface at coexistence the functional is applied to anisotropic and inhomogeneous problems for the first time. We find good qualitative agreement with other theoretical predictions and also with Monte-Carlo simulations.

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