SUPPLEMENTARY ANALYSES IN DIFFRACTION STUDIES OF CLUSTERS - COMPUTER MODELING OF NUCLEATION AND GROWTH

A procedure to model the nucleation and growth of clusters generated in nonequilibrium flow through a miniature Laval nozzle is described. Although it does not resolve the existing large uncertainties in nucleation theory itself or in the parameters that enter it, it largely sidesteps these problems and analyzes the environment of growing clusters inside the nozzle. Therein it offers results complementary to those obtained in electron diffraction studies of clusters issuing from the nozzle. In particular, its reconstructions of thermal histories of clusters provide useful insights into the mechanism responsible for the control the experimentalist can exercise over cluster structure by adjustment of supersonic flow conditions. For example, its application led to predictions of phase changes in clusters during flow that were subsequently observed directly. © 1990 American Chemical Society.