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Hamburg 2001 – scientific programme

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DY: Dynamik und Statistische Physik

DY 13: Statistische Physik (Allgemein) II

DY 13.1: Talk

Monday, March 26, 2001, 10:30–10:45, S 7

Computation of the thermo-physical properties of gases, liquids and solids — •Siegfried Hess1 and Martin Kröger1,21Institut für Theoretische Physik, Technische Universität Berlin, PN 7-1, Hardenbergstr. 36, D-10623 Berlin — 2Polymer Physics, Institute of Polymers, ETH Zürich, ML H 18, CH-8092 Zürich. Schweiz

Thermophysical properties of a simple model substance are computed by MD and NEMD computer simulations and compared with theoretical expressions. Motivated by the success of a polynomial short range repulsive (shrep) potential [1], the short range attractive (shrat) potential (in reduced units) φ ∝ (1−r)(3−2r)3, r≤ 3/2, and φ=0, r>3/2 is used. It leads to a physical behavior similar to that of a Lennard-Jones system. The short range and the smooth cut-off however, provide significant advantanges for numerical studies. The thermophysical properties presented include the pressure as function of the density for various temperatures, the elasticity coefficients, the visco-elastic behavior in the liquid, as well as the elastic behavior and the plastic flow in the solid. The elastic property is of importance for solid friction [1].
[1] M. Kröger, S. Hess, ZAMM 90, Suppl. 1 (2000) 49-52.

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