Monte Carlo Simulation zur Kinetik der Phasenseparation und zum Phasenverhalten in eingeschränkter Geometrie


Universität Mainz
Institut für Physik WA331

We investigate the kinetics of phase separation and the phase behaviour in thin films via large scale Monte Carlo simulations of coarse grained (polymer)modells. Three topicalproblems will be addressed:(1) Comparing MC simulations and dynamic mean field theorywe shall elucidate the role of the single chain dynamicson the phase separation process.(2) We shall conduct MC simulations on a coarse grained model of a compressible mixture of a short polymer and a supercritical solvent, which are targeted to test classical nucleation theory.(3) The Wang-Landau algorithm (PRL 86, 2050 (2001)) shall beimplemented efficiently on a parallel computer, and we explorethe phase behaviour of a binary blend in confined geometry.