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A Discrete, Space Variation Model for Studying the Kinetics of Shape Deformation of Vesicles Coupled with Phase Separation
Author(s) -
Li Jianfeng,
Zhang Hongdong,
Tang Ping,
Qiu Feng,
Yang Yuliang
Publication year - 2006
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.200600012
Subject(s) - dissipative system , phase space , discretization , vesicle , biological system , deformation (meteorology) , statistical physics , dissipative particle dynamics , space (punctuation) , coupling (piping) , phase (matter) , stability (learning theory) , computer science , mechanics , classical mechanics , control theory (sociology) , mathematics , mathematical analysis , physics , chemistry , membrane , artificial intelligence , thermodynamics , engineering , mechanical engineering , machine learning , biology , operating system , biochemistry , control (management) , quantum mechanics , nuclear magnetic resonance , meteorology , polymer
Summary: 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.A flower‐like vesicle obtained by DSVM simulation.