Dresden 2003 – wissenschaftliches Programm

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CPP: Chemische Physik und Polymerphysik

CPP 2: Colloide, Nanopartikel und Kapseln

CPP 2.7: Vortrag

Montag, 24. März 2003, 11:45–12:00, ZEU/260

Rosenfelds density functional for mixtures of non-spherical hard particles — •Klaus Mecke — Max-Planck-Institut für Metallforschung, Heisenbergstr. 3, 70569 Stuttgart

Rosenfeld’s DFT (Phys. Rev. Lett. 63, 980 (1989)) is extended by applying integral geometric techniques such as kinematic formulae and an explicit local expression for the Euler characteristic of overlapping bodies. The Mayer-f function of hard convex bodies can be decomposed into contributions stemming alone from the individual bodies. A finite number of characteristic curvature measures is, by accident, sufficient for the decomposition of spheres in three dimensions, whereas for non-spherical shapes in arbitrary dimensions an infinite number of fundamental curvature measures is required. Based on the most general analytical expression, several approximations by a finite number of measures can be proposed and numerically tested (including the proposal in Phys. Rev. E 50, R3318 (1994)) which make Rosenfeld’s density functional applicable to general convex bodies, in particular, to spherocylinders and ellipsoids.