12 research outputs found
Phase-field crystal modelling of crystal nucleation, heteroepitaxy and patterning
We apply a simple dynamical density functional theory, the
phase-field-crystal (PFC) model, to describe homogeneous and heterogeneous
crystal nucleation in 2d monodisperse colloidal systems and crystal nucleation
in highly compressed Fe liquid. External periodic potentials are used to
approximate inert crystalline substrates in addressing heterogeneous
nucleation. In agreement with experiments in 2d colloids, the PFC model
predicts that in 2d supersaturated liquids, crystalline freezing starts with
homogeneous crystal nucleation without the occurrence of the hexatic phase. At
extreme supersaturations crystal nucleation happens after the appearance of an
amorphous precursor phase both in 2d and 3d. We demonstrate that contrary to
expectations based on the classical nucleation theory, corners are not
necessarily favourable places for crystal nucleation. Finally, we show that
adding external potential terms to the free energy, the PFC theory can be used
to model colloid patterning experiments.Comment: 21 pages, 16 figure