SC²S Colloquium - November 28, 2012

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Date: November 28, 2012
Room: 02.07.023
Time: 2:30 pm, s.t.

Severin Strobl, InvasIC invited talk: Modelling of microscopic flows using particle-based methods

We employ a simulation framework which is based entirely on particle and quasi-particle methods for the simulation of flows of microscopic suspensions through micro-fluidic devices. The solvent phase is modelled using Direct Simulation Monte Carlo (DSMC), while Molecular Dynamics (MD) is used for the suspended particles.

Micro-fluidic devices are difficult to simulate as the geometry of these devices is often complex and tortuous. The small scale of the flows also makes it essential that the interactions of the boundaries with the fluid and suspended particles are accurately described. Effects such as the non-Maxwellian velocity distribution of the fluid particles near boundaries must be captured as these become dominant effects at small scales, in particular for confined geometries. Both these complex geometry and boundary difficulties can be tackled using particle-based methods. Almost arbitrary geometries can be handled by our DSMC code and the boundary regions can be treated using interaction rules derived from molecular theories. While the applied particle methods provide a very high physical accuracy, they also impart a significant numerical cost. For the case of arbitrary geometries, special care must be taken to ensure an efficient implementation of the methods. Here, a main focus is the performance optimization for shared-memory NUMA systems.