Abstract
Water vapor nucleation preceding crystal nucleation was studied by computer simulation; the role of crystal defects on the surface with a structure complementary to the structure of ice was investigated. The Gibbs energy and microdrop formation energy were calculated at the molecular level. The structure and thermodynamic stability of nuclei in the fields of crystal defects of different types were analyzed. It was found that crystal point defects could not stimulate the formation of large nuclei. Extended defects such as wedge-shaped fractures were shown to be the most effective stimulants. The stage of monomolecular film formation in fractures was preceded by the formation of three-dimensional microdrops. The conclusion was drawn that microcrystallization was favored by a relatively large surface of contact with microfracture walls, the three-dimensional structure of nuclei, and their high thermodynamic stability in the transverse microfracture field; these factors drastically accelerated the growth of nuclei and their coalescence on the surface of aerosol particles.
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