Optimal packing of polydisperse hard-sphere fluids
arXiv:cond-mat/9811404 · doi:10.1063/1.478426
Abstract
We consider the effect of intermolecular interactions on the optimal size-distribution of $N$ hard spheres that occupy a fixed total volume. When we minimize the free-energy of this system, within the Percus-Yevick approximation, we find that no solution exists beyond a quite low threshold ($η\thickapprox 0.260$). Monte Carlo simulations reveal that beyond this density, the size-distribution becomes bi-modal. Such distributions cannot be reproduced within the Percus-Yevick approximation. We present a theoretical argument that supports the occurrence of a non-monotonic size-distribution and emphasizing the importance of finite size effects.
21 pages, 6 figures, RevTex (Submitted to J. Chem. Phys.)