Berlin 2005 – scientific programme

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DY: Dynamik und Statistische Physik

DY 34: Poster

DY 34.53: Poster

Monday, March 7, 2005, 15:30–18:00, Poster TU D

Computer simulation studies of model colloids in equilibrium and non-equilibrium — •Peter Henseler and Peter Nielaba — Lehrstuhl für Theoretische Physik, Fachbereich Physik, Universität Konstanz, D-78457 Konstanz

We perform classical Monte-Carlo simulations in the NVT ensemble to calculate isothermal elastic constants of crystal phases of hard-sphere systems [1]. The elastic constants are determined in a single simulation run from microscopic fluctuations of the instantaneous local Lagrangian strain tensor and the use of a finite-size scaling theory. This approach is a generalization of the method of Sengupta et al. [2] to three dimensions. We will discuss the importance of finite size effects. The outlined approach also allows us to study the effect of impurities on the elastic properties. On the other hand we study the non-equilibrium behavior of colloids flowing in a micro channel driven by the gravitational field. We perform Molecular Dynamics simulations with a Nosé-Hoover thermostat to study the occuring structures and flow rate behavior in dependence of the inclination angle of the micro channel and the mean particle density in the channel.

[1] P. Nielaba, K. Binder, D. Chaudhuri, K. Franzrahe, P. Henseler, A. Ricci, S. Sengupta, W. Strepp J. Phys: Cond. Matt. 16 No 38, S4115 (2004)

[2] S. Sengupta, P. Nielaba, M. Rao, K. Binder, Phys. Rev. E 61, 1072 (2000)