Simulation of spherulite growth using a comprehensive approach to modeling the first-order isotropic/smectic-a mesophase transition

Abstract

A comprehensive modeling and simulation study of the first-order isotropic/smectic-A transition is presented and applied to phase diagramcomputation and two-dimensional spherulite growth. An approach based on nonlinear optimization, that incorporates experimental data (from12CB, dodecyl-cyanobiphenyl), is used to determine physically realisticmodel parameters. These parameters are then used in conjunction with an optimized phase diagram computation method. Additionally, a time-dependent formulation is presented and applied to the study of two-dimensional smectic-A spherulite growth. These results show the growth kinetics and defect dynamics of nanoscale smectic-A spherulite growth in an isotropic phasewith an initially radial layer configuration. © 2010 Global-Science Press.