标题： 相分离脂质囊泡：连续介质建模、仿真与验证 显示英文标题

标题： Phase-separated lipid vesicles: continuum modeling, simulation, and validation

摘要： 本文提出了一种完整的研究循环，包括基于连续介质的建模、计算框架开发和验证设置，以预测脂质双层膜中的相分离和表面流体力学。 我们首先概述了脂质双层的关键物理特性，包括其组成、机械特性和热力学性质，然后讨论了多组分双层的连续模型。 最复杂的模型是一种Navier--Stokes--Cahn--Hilliard（NSCH）类型系统，描述了不可压缩表面流体动力学与任意弯曲几何表面上的相场动力学之间的耦合。 该模型使用迹线有限元方法进行离散化，这种方法在表示曲面偏微分方程时具有几何灵活性和稳定性。 进行了数值研究以检查物理特征，如粗化率和界面动力学。 通过NSCH模型获得的计算结果与具有不同相行为的膜组成的实验数据进行比较，表明包括相场模型和表面流体力学对于准确再现表观荧光显微镜中观察到的域演化至关重要。 最后，我们将模型扩展以纳入外部力，从而能够模拟含有阳离子脂质的囊泡，用于增强膜融合。 显示英文摘要

摘要： The paper presents a complete research cycle comprising continuum-based modeling, computational framework development, and validation setup to predict phase separation and surface hydrodynamics in lipid bilayer membranes. We starting with an overview of the key physical characteristics of lipid bilayers, including their composition, mechanical properties, and thermodynamics, and then discuss continuum models of multi-component bilayers. The most complex model is a Navier--Stokes--Cahn--Hilliard (NSCH) type system, describing the coupling of incompressible surface fluid dynamics with phase-field dynamics on arbitrarily curved geometries. It is discretized using trace finite element methods, which offer geometric flexibility and stability in representing surface PDEs. Numerical studies are conducted to examine physical features such as coarsening rates and interfacial dynamics. The computational results obtained from the NSCH model are compared against experimental data for membrane compositions with distinct phase behaviors, demonstrating that including both phase-field models and surface hydrodynamics is essential to accurately reproduce domain evolution observed in epi-fluorescence microscopy. Lastly, we extend the model to incorporate external forces that enable the simulation of vesicles containing cationic lipids, used to enhance membrane fusion.