Coarse-grained molecular dynamics simulations of shear-induced instabilities of lipid bilayer membranes in water
Coarse-grained molecular dynamics simulations of shear-induced instabilities of lipid bilayer membranes in water
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DOI：
10.1103/physreve.82.051602
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发表时间：
2010-11-09
影响因子：
2.4
通讯作者：
Koumoutsakos, Petros
中科院分区：
文献类型：
--
作者：
Hanasaki, Itsuo;Walther, Jens H.;Koumoutsakos, Petros
我们使用粗粒度分子动力学模拟研究浸入水中的脂质双分子层剪切诱导的不稳定性。由水流施加的剪切最初引起膜的微观结构变化，从分子向剪切方向倾斜开始。当剪切速率超过某一临界值时，倾斜沿展向扩展，膜在垂直于剪切的方向发生屈曲样变形。这种屈曲样的波动一直持续到局部的开尔文-亥姆霍兹样不稳定导致膜破裂。我们使用不同几何形状的膜研究了膜波动的不同模式，并量化了膜的屈曲弯曲和开尔文-亥姆霍兹不稳定性的相对重要性。
We study shear-induced instabilities of lipid bilayers immersed in water using coarse-grained molecular dynamics simulations. The shear imposed by the flow of the water induces initially microscopic structural changes of the membrane, starting with tilting of the molecules in the direction of the shear. The tilting propagates in the spanwise direction when the shear rate exceeds a critical value and the membrane undergoes a bucklinglike deformation in the direction perpendicular to the shear. The bucklinglike undulation continues until a localized Kelvin-Helmholtz-like instability leads to membrane rupture. We study the different modes of membrane undulation using membranes of different geometries and quantify the relative importance of the bucklinglike bending and the Kelvin-Helmholtz-like instability of the membrane.