A discrete, space variation model for studying the kinetics of shape deformation of vesicles coupled with phase separation

作者：Li Jianfeng; Zhang Hongdong; Tang Ping; Qiu Feng; Yang Yuliang^*

来源：Macromolecular Theory and Simulations, 2006, 15(5): 432-439.

DOI：10.1002/mats.200600012

• dynamics
• phase separation
• shape deformation
• vesicles

The evolution dynamics of phase separation, coupled with shape deformation of vesicles is described by using dissipative dynamic equations, specifically the time-dependent Ginzburg-Landau (TDGL) equations. In order to improve the numerical stability and thus to efficiently deal with a large deformation of vesicles, a new algorithm, namely the discrete space variation model (DSVM) has been developed for the first time. The algorithm is based on the variation of the discretized free-energy functional, which is constructed in discrete membrane space, in contrast to the commonly used continuous free-energy functional. For the sake of numerical tractability, only the cylindrical vesicles (2D), with two components, are taken into consideration to illustrate the efficiency and validity of new algorithm. The simulation results, based on the DSVM algorithm have been compared with those from both linear analysis and strong segregation theory using the continuous space free-energy functional. It is found that the DSVM algorithm can correctly describe the coupling between the lateral phase-separation on the vesicle membrane and the vesicle shape deformation, both for early and late stages.

• 出版日期2006-6-9
• 单位复旦大学