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多组分囊泡动力学的相场建模:旋节线分解、粗化、出芽和裂变。

Phase-field modeling of the dynamics of multicomponent vesicles: Spinodal decomposition, coarsening, budding, and fission.

作者信息

Lowengrub John S, Rätz Andreas, Voigt Axel

机构信息

Department of Mathematics, University of California, Irvine, California 92697-3875, USA.

出版信息

Phys Rev E Stat Nonlin Soft Matter Phys. 2009 Mar;79(3 Pt 1):031926. doi: 10.1103/PhysRevE.79.031926. Epub 2009 Mar 31.

Abstract

We develop a thermodynamically consistent phase-field model to simulate the dynamics of multicomponent vesicles. The model accounts for bending stiffness, spontaneous curvature, excess (surface) energy, and a line tension between the coexisting surface phases. Our approach is similar to that recently used by Wang and Du [J. Math. Biol. 56, 347 (2008)] with a key difference. Here, we concentrate on the dynamic evolution and solve the surface mass conservation equation explicitly; this equation was not considered by Wang and Du. The resulting fourth-order strongly coupled system of nonlinear nonlocal equations are solved numerically using an adaptive finite element numerical method. Although the system is valid for three dimensions, we limit our studies here to two dimensions where the vesicle is a curve. Differences between the spontaneous curvatures and the bending rigidities of the surface phases are found numerically to lead to the formation of buds, asymmetric vesicle shapes and vesicle fission even in two dimensions. In addition, simulations of configurations far from equilibrium indicate that phase separation via spinodal decomposition and coarsening not only affect the vesicle shape but also that the vesicle shape affects the phase separation dynamics, especially the coarsening and may lead to lower energy states than might be achieved by evolving initially phase-separated configurations.

摘要

我们开发了一种热力学一致的相场模型来模拟多组分囊泡的动力学。该模型考虑了弯曲刚度、自发曲率、过剩(表面)能以及共存表面相之间的线张力。我们的方法与Wang和Du [《数学生物学杂志》56, 347 (2008)] 最近使用的方法类似,但有一个关键区别。在这里,我们专注于动态演化并明确求解表面质量守恒方程;Wang和Du没有考虑这个方程。使用自适应有限元数值方法对由此产生的非线性非局部方程的四阶强耦合系统进行数值求解。尽管该系统在三维空间中有效,但我们在此将研究限制在二维空间,其中囊泡是一条曲线。通过数值发现,表面相的自发曲率和弯曲刚度之间的差异即使在二维空间中也会导致芽的形成、囊泡形状不对称和囊泡分裂。此外,对远离平衡态构型的模拟表明,通过旋节线分解和粗化进行的相分离不仅会影响囊泡形状,而且囊泡形状也会影响相分离动力学,特别是粗化过程,并且可能导致比初始相分离构型演化所能达到的能量状态更低的能量状态。

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