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稳态条件下及剪切流中粗粒化脂质膜的波动流体动力学模拟

Fluctuating hydrodynamics simulations of coarse-grained lipid membranes under steady-state conditions and in shear flow.

作者信息

Brandt Erik G

机构信息

Department of Materials and Environmental Chemistry, Stockholm University, Stockholm, Sweden.

出版信息

Phys Rev E Stat Nonlin Soft Matter Phys. 2013 Jul;88(1):012714. doi: 10.1103/PhysRevE.88.012714. Epub 2013 Jul 12.

Abstract

The stochastic Eulerian-Lagrangian method (SELM) is used to simulate coarse-grained lipid membrane models under steady-state conditions and in shear flow. SELM is an immersed boundary method which combines the efficiency of particle-based simulations with the realistic solvent dynamics provided by fluctuating hydrodynamics. Membrane simulations in SELM are shown to give structural properties in accordance with equilibrium statistical mechanics and dynamic properties in agreement with previous simulations of highly detailed membrane models in explicit solvent. Simulations of sheared membranes are used to calculate surface shear viscosities and inter-monolayer friction coefficients. The membrane models are shown to be shear thinning under a wide range of applied shear rates.

摘要

随机欧拉-拉格朗日方法(SELM)用于在稳态条件和剪切流中模拟粗粒度脂质膜模型。SELM是一种浸入边界方法,它将基于粒子模拟的效率与波动流体动力学提供的真实溶剂动力学相结合。SELM中的膜模拟显示出其结构性质符合平衡统计力学,动态性质与先前在显式溶剂中对高度详细膜模型的模拟一致。对剪切膜的模拟用于计算表面剪切粘度和层间摩擦系数。结果表明,膜模型在广泛的外加剪切速率下呈现剪切变稀现象。

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