Berlin 2008 – wissenschaftliches Programm

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DY: Fachverband Dynamik und Statistische Physik

DY 2: Statistical physics I (general)

DY 2.8: Vortrag

Montag, 25. Februar 2008, 12:15–12:30, MA 001

Adjusting dynamic material properties by a thermostat — •Christoph Junghans, Matej Praprotnik, and Kurt Kremer — Max-Planck-Institut für Polymerforschung, Ackermannweg 10, D-55128 Mainz, Germany

An advanced thermostat for molecular dynamics is proposed, which on the one side keeps the stabilizing and hydrodynamic properties, but on the other side allows to control the dynamic properties of the system. This extension of the dissipative particle dynamics thermostat [1] treats the friction for the transversal and longitudinal components of the relative velocities of interacting pairs separately and enables to adjust diffusion constant and shear viscosity to the desired value. Numerical studies on Lennard-Jones fluid and the TIP3P water model show a very sensitive dependency of the viscosity and diffusion constant on the strength of the friction [2].

[1] T. Soddemann, B. Dünweg and K. Kremer, Phys. Rev. E 68, 046702 (2003).

[2] C. Junghans, M. Praprotnik and K. Kremer, Soft Matter 2008, DOI:10.1039/b713568h.