By Volker Gaibler, Max Camenzind (auth.), Wolfgang E. Nagel, Dietmar B. Kröner, Michael M. Resch (eds.)
Aus den Rezensionen: “Obwohl auch aus finanziellen Gründen eigentlich auf einen engen Kreis von Forschern beschränkt, ist die Simulation mit Supercomputern bzw. deren Resultate kaum mehr aus unserem Alltag wegzudenken - Stichwort numerische Wettervorhersage. ... Ein wissenschaftliches Buch, das den aktuellen Stand des vielfältigen Einsatzes von Supercomputing in Deutschland präsentiert.“ (in: Bulletin SEV/VSE, February/2010, S. 87)
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Extra info for High Performance Computing in Science and Engineering '09: Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2009
17, 21]. The only free parameter in this model is the depth of the primary minimum, which in principle can be adjusted to experimental data. However, due to surface roughness and lubrication eﬀects, an exact measurement is very diﬃcult. On the other hand, for the simulation it is suﬃcient to choose the minimum deep enough so that clusters of particles do not break up at the primary minimum. Once the forces are calculated, the integration of the equations of motion is accomplished in the MD framework using a velocity verlet algorithm [3, 57], Fi (t) , m Fi (t) + Fi (t + δt) .
3 the eﬀective potential is plotted for several cases. The steering path is chosen such that the cluster formation is reversible and the barrier between the primary and the secondary minimum in the DLVO potential does not go below 5 kB T . A case in which the barrier vanishes and irreversible aggregation would appear is also shown in the upper right inset of Fig. 3. The observation in our simulation conﬁrms that the cluster formation is reversible for the chosen trajectory. However, the simulation “remembers” the trajectory of the steering interaction.
T. Padding and A. A. Louis. Hydrodynamic and Brownian ﬂuctuations in sedimenting suspensions. Phys. Rev. , 93:220601, 2004. Computational Steering to Explore the Parameter Space of Stability 47 43. J. T. Padding and A. A. Louis. Hydrodynamic interactions and Brownian forces in colloidal suspensions: Coarse-graining over time and length-scales. Phys. Rev. E, 74:031402, 2006. 44. T. N. Phung, J. F. Brady, and G. Bossis. Stokesian dynamics simulation of Brownian suspensions. J. , 313:181–207, 1996.