|Phone:||+49 711 685-63594|
|Fax:||+49 711 685-63658|
|Email:||georg _at_ icp.uni-stuttgart.de|
Institute for Computational Physics
In Progress: "Charge Discretization Effects in DNA translocation processes"
"Lattice-Boltzmann Simulations in Complex Geometries" (1.36 MB), 2010, Institute for Computational Physics, Stuttgart
The focus of this thesis lies on the simulation of processes in molecular dynamics that are governed by electrostatic and hydrodynamic interactions in volumes with boundaries. The first objective was, to change the existing implementation of the Lattice-Boltzmann-Method in ESPResSo so that it can handle systems with arbitrarily complex boundary geometries.
Additionally, a scenario involving the fluid-boundary interaction and the fluid-particle interaction was supposed to be developed for which analytical results can be obtained so that the correctness of the implementation could be verified. This system consists of an electro-osmotic flow in an infinite slit pore. The analytical treatment was conducted by means of the electrokinetic equations.