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Heterogeneous Nucleation of a Droplet Pinned at a Chemically Inhomogeneous Substrate: A Simulation Study of the Two-dimensional Ising Case
Marta L. Trobo, Ezequiel V. Albano, Kurt Binder
Heterogeneous nucleation is studied by Monte Carlo simulations and phenomenological theory, using the two-dimensional lattice gas model with suitable boundary fields. A chemical in…
Free Energy Barriers for Crystal Nucleation from Fluid Phases
Peter Koß, Antonia Statt, Peter Virnau +1
Monte Carlo simulations of crystal nuclei coexisting with the fluid phase in thermal equilibrium in finite volumes are presented and analyzed, for fluid densities from dense melts…
Finite size effects on liquid-solid phase coexistence and the estimation of crystal nucleation barriers
Antonia Statt, Peter Virnau, Kurt Binder
A fluid in equilibrium in a finite volume with particle number at a density exceeding the onset density of freezing may exhibit phase coexistence between a…
Logarithmic Finite-Size Effects on Interfacial Free Energies: Phenomenological Theory and Monte Carlo Studies
Fabian Schmitz, Peter Virnau, Kurt Binder
The computation of interfacial free energies between coexisting phases (e.g.~saturated vapor and liquid) by computer simulation methods is still a challenging problem due to the di…
Determination of the origin and magnitude of logarithmic finite-size effects on interfacial tension: Role of interfacial fluctuations and domain breathing
Fabian Schmitz, Peter Virnau, Kurt Binder
The ensemble-switch method for computing wall excess free energies of condensed matter is extended to estimate the interface free energies between coexisting phases very accurately…
Non mean-field behaviour of critical wetting transition for short-range forces
Pawel Bryk, Kurt Binder
Critical wetting transition for short-range forces in three dimensions () is reinvestigated by means of Monte Carlo simulation. Using anisotropic finite size scaling approach,…