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By Martin Hecht, Jens Harting and Hans J. Herrmann

Abstract

Depending on the pH-value and salt concentration of Al2O3 suspensions different microstructures can form. Especially the clustered one is of major interest for industrial purposes as found in the production of ceramics. In this paper we investigate the clustered microstructure by means of a coupled Stochastic Rotation Dynamics (SRD) and Molecular Dynamics (MD) simulation. In order to gain statistics within a system containing numerous clusters, large simulation volumes are needed. We present our parallel implementation of the simulation algorithm as well as a newly developed cluster detection and tracking algorithm. We then show first results of measured growth rates and cluster size distributions to validate the applicability of our method

Topics: Stochastic Rotation Dynamics, Molecular Dynamics, colloids, clustering PACS Nos, 82.70.-y, 47.11.+j, 02.70.Ns
Year: 2008
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