8th Liquid Matter Conference September 6-10, 2011 Wien, Austria ...

Thu 811:10-14:00P7.121Monte Carlo simulation of curved interface free energiesAndreas Tröster 11 Johannes Gutenberg - Universität Mainz, Staudingerweg 7, D 55128, Mainz,GermanyThe computation of interface free energies is of fundamental importance in understanding nucleationprocesses in metastable phases at first order phase transitions. Interestingly, despite decadesof theoretical and computational research, our understanding of the curvature dependence of theinterface tension between coexisting phases is still far from being complete. In particular, thereliable determination of the so-called Tolman length, which is believed to govern the curvaturedependence of the interface tension of spherical droplets and bubbles, remains a highly controversialsubject. In this talk I will discuss to which extent the study of phase separation in finitesystems by Monte Carlo simulations can allow for a direct thermodynamic analysis of the freeenergy barriers associated with different interface topologies and the possibility to determine Tolmanlengths numerically from such simulations. The underlying theoretical concepts as well asour computational approach are illustrated with recent results on Lennard–Jones fluids, the q-statePotts model and a three-spin Ising model on an fcc lattice.121