一级各向同性/近晶-A中间相转变的综合方法模拟球晶生长
Simulation of spherulite growth using a comprehensive approach to modeling the first-order isotropic/smectic-A mesophase transition
摘要:
一个全面的建模和模拟研究的一阶各向同性/近晶-A转变,并应用于相图计算和二维球晶生长。一种基于非线性优化的方法,结合实验数据(从12 CB,十二烷基-氰基联苯),用于确定物理上现实的模型参数。这些参数,然后结合使用优化的相图计算方法。此外,一个时间依赖性的配方,并适用于二维近晶-A球晶生长的研究。这些结果表明,纳米近晶-A球晶生长在各向同性相的初始径向层配置的生长运动学和缺陷动力学。
英文摘要:
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 kinematics and defect dynamics of nanoscale smectic-A spherulite growth in an isotropic phase with an initially radial layer configuration.
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