Dresden 2003 – scientific programme
Parts | Days | Selection | Search | Downloads | Help
CPP: Chemische Physik und Polymerphysik
CPP 2: Colloide, Nanopartikel und Kapseln
CPP 2.7: Talk
Monday, March 24, 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.