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Density Functional for Anisotropic Fluids

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arxiv cond-mat/0208449 v1 pith:OS3KMDH7 submitted 2002-08-23 cond-mat.mtrl-sci cond-mat.softcond-mat.stat-mech

Density Functional for Anisotropic Fluids

classification cond-mat.mtrl-sci cond-mat.softcond-mat.stat-mech
keywords functionalhardanisotropicdensityfluidslocationonsagersystems
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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We propose a density functional for anisotropic fluids of hard body particles. It interpolates between the well-established geometrically based Rosenfeld functional for hard spheres and the Onsager functional for elongated rods. We test the new approach by calculating the location of the the nematic-isotropic transition in systems of hard spherocylinders and hard ellipsoids. The results are compared with existing simulation data. Our functional predicts the location of the transition much more accurately than the Onsager functional, and almost as good as the theory by Parsons and Lee. We argue that it might be suited to study inhomogeneous systems.

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