Commun. Comput. Phys., 7 (2010), pp. 301-316.


Simulation of Spherulite Growth Using a Comprehensive Approach to Modeling the First-Order Isotropic/Smectic-A Mesophase Transition

Nasser Mohieddin Abukhdeir 1*, Alejandro D. Rey 1

1 Department of Chemical Engineering, McGill University, Montreal, Quebec H3A 2B2, Canada.

Received 31 July 2008; Accepted (in revised version) 30 March 2009
Available online 24 August 2009
doi:10.4208/cicp.2009.08.201

Abstract

A comprehensive modeling and simulation study of the first-order isotropic/smectic-A transition is presented and applied to phase diagram computation and two-dimensional spherulite growth. An approach based on nonlinear optimization, that incorporates experimental data (from 12CB, dodecyl-cyanobiphenyl), is used to determine physically realistic model 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 phase with an initially radial layer configuration.

AMS subject classifications: 76A15, 81T80, 82C26

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Key words: Liquid crystals, simulation, phase transitions.

*Corresponding author.
Email: nasser.abukhdeir@mcgill.ca (N. M. Abukhdeir), alejandro.rey@mcgill.ca (A. D. Rey)
 

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