Coupling field theory with continuum mechanics: A simulation of domain formation in giant unilamellar vesicles
Coupling field theory with continuum mechanics: A simulation of domain formation in giant unilamellar vesicles
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DOI：
10.1529/biophysj.105.059436
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发表时间：
2005-06-01
影响因子：
3.4
通讯作者：
Voth, GA
中科院分区：
文献类型：
--
作者：
Ayton, GS;McWhirter, JL;Voth, GA
a46利用相共存的朗道场理论模型和弹性变形力学（如膜曲率）对巨大单层囊泡表面的畴形成进行了模拟。光滑粒子应用力学是光滑粒子连续介质力学的一种形式，用于求解随时间变化的组成动力学的Landau-Ginzburg或Cahn-Hilliard自由能模型。同时，利用光滑粒子应用力学对底层弹性膜进行了建模，从而形成了一个统一的计算方案，能够处理成分场对囊泡任意变形的响应，反之亦然。结果表明，曲率耦合以及成分自由能的场论模型给出了与囊泡表面缺陷相关的畴形成。在包括外部变形的情况下，可以看到域结构响应这样的变形。目前的模拟能力为模拟真实的细胞膜过程提供了重要的一步。
a46 Domain formation is modeled on the surface of giant unilamellar vesicles using a Landau field theory model for phase coexistence coupled to elastic deformation mechanics ( e. g., membrane curvature). Smooth particle applied mechanics, a form of smoothed particle continuum mechanics, is used to solve either the time-dependent Landau-Ginzburg or Cahn-Hilliard free-energy models for the composition dynamics. At the same time, the underlying elastic membrane is modeled using smooth particle applied mechanics, resulting in a unified computational scheme capable of treating the response of the composition fields to arbitrary deformations of the vesicle and vice versa. The results indicate that curvature coupling, along with the field theory model for composition free energy, gives domain formations that are correlated with surface defects on the vesicle. In the case that external deformations are included, the domain structures are seen to respond to such deformations. The present simulation capability provides a significant step forward toward the simulation of realistic cellular membrane processes.