Berlin 2005 – wissenschaftliches Programm

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CPP: Chemische Physik und Polymerphysik

CPP 4: SYMPOSIUM: Dynamics of multi-component fluids IV

CPP 4.1: Hauptvortrag

Freitag, 4. März 2005, 15:45–16:15, TU C243

Hybrid models for Mixed Soft Systems: Lessons from Computer Games — •Johannes Fraaije — Leiden Institute of Chemistry

We all know computer games, and we dot not think it at all strange that in one gaming environment one encounters many different visual and physical entities: smoke, bullets, and cars, ... Yet, in our professional practice of simulating soft matter systems, it suddenly seems if we have forgotten the joy of a good game, and we limit ourselves, to either field models (smoke), or particle models (bullets), or finite element models (cars). Why the restriction? There are many soft matter systems simulations, which would profit enormously from having, in one simulation environment, a field model for fast degrees of freedom, a coarse-grained model for molecuar dynamics and on top of that, a finite-elemenet description of (bio)colloidal surfaces. Although the logic and necessity of such hybrid modelling is clear, no such general purpose method exist, other than the new Culgi scripting language we have developed. I present results which combine mesoscopic field simulations (Mesodyn) and DPD polymer particle simulations, for the purpose of understanding mixed formulations. These are systems consisting of a few tens percent of surfactant, and a few percent of block copolymer. With either pure method, it would be impossible to simulate such formulation, even with very big computers, but with the hybdrid model it is a task for a PC - a lesson learned from computer games.