Hamburg 2001 – wissenschaftliches Programm
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DY: Dynamik und Statistische Physik
DY 13: Statistische Physik (Allgemein) II
DY 13.1: Vortrag
Montag, 26. März 2001, 10:30–10:45, S 7
Computation of the thermo-physical properties of gases, liquids and solids — •Siegfried Hess1 and Martin Kröger1,2 — 1Institut 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.