Monte Carlo Test of the Classical Theory for Heterogeneous Nucleation

Abstract: Flat walls facilitate the condensation of a supersaturated vapor: classical theory of heterogeneous nucleation predicts that the free energy barrier ΔF^*_het, which needs to be overcome for the formation of sphere-cap-shaped nucleation seeds, is smaller than the barrier ΔF^*_hom for spherical droplets in the bulk by a factor 0 < f(Θ) < 1, which only depends on the contact angle Θ. We compute both ΔF^*_hom and ΔF^*_het from Monte Carlo simulations and test the theory for the lattice gas model (for which Θ can be readily controlled). Even though the theory is only based on macroscopic arguments, it is shown to hold for experimentally relevant nanoscopic nucleation seeds (20 ≤ ΔF^∗/kBT ≤ 200) if line tension effects are considered. If time allows I will also present recent work on ”knotted proteins”.

The seminar takes place at 4 p.m. in the ICAMS seminar room UHW 11/1102, Stiepeler Straße 129, 44801 Bochum.

For further information contact Dr. Bernhard Eidel, bernhard.eidel@rub.de