OS1-1-1 せん断流れ環境下で脂質二分子膜が示すマルチスケール構造不安定現象(OS1 マルチスケ-ル現象のシミュレーション技術(1))

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  • OS1-1-1 Multiscale Structural Instability Phenomena of a Lipid Bilayer Membrane Subject to Shear Flow

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Lipid bilayer is a simplified model of a cell membrane. In medical or biotechnological situations, cells are often subject to shear flow in order to enhance molecular permeability or to get sorted. From a viewpoint of enhancing the intended effects, the shear rate is desired to be high enough. On the other hand, too high shear rate leads to the damage of cell membranes. However, it is extremely hard to observe the elementary process of the instability phenomena experimentally. Thus, we study the structural instability of a lipid bilayer in water subject to shear flow. We found from the coarse-grained molecular dynamics (CGMD) simulations that the shear-induced instabilities of a lipid bilayer membrane are multiscale phenomena. Shear-induced inclination of the lipid molecules causes the undulation structure after a buckling transition, which finally leads to the Kelvin-Helmholtz-like instability. We discuss the importance of capturing molecular discreteness and a higher level of structure simultaneously.

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