SKM 2023 – wissenschaftliches Programm

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DY: Fachverband Dynamik und Statistische Physik

DY 6: Statistical Physics: General I

DY 6.6: Vortrag

Montag, 27. März 2023, 11:15–11:30, ZEU 160

Hard rods on a 2D lattice system — •Michael Zimmermann — Universität Tübingen, Tübingen, Deutschland

An exact solution for the equilibrium density for a hard rod system on a 1D continuous system was found by Percus [1]. For lattice systems of hard rods, Lafuente and Cuesta established a method based on Rosenfeld's fundamental measure theory to find the exact solution in 1D and to extrapolate from this result to a density functional in higher dimensions [2,3]. But already in 2D theoretical properties differ from respective simulation results [4], such as the onset of demixing between rods of different orientation. In this talk we will discuss some possible extensions of the Lafuente-Cuesta functional for improving the excess free energy functional and for better approximations of density distributions in 2D hard rod lattice systems.

[1] Percus J. K. 1976 J. Stat. Phys. 15 505*11 [2] Rosenfeld Y. 1989 Phys. Rev. Lett. 63 980*3 [3] Lafuente L. and Cuesta J.A. 2002 J. Phys.: Condens. Matter 14 12079 [4] Oettel M., Klopotek M. et al 2016 J. Chem. Phys. 145 074902