T0501-1-2 せん断流動場における脂質二重膜の運動量輸送特性の異方性に関する分子動力学的研究(マイクロ・ナノスケールの熱流体現象(1))

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  • T0501-1-2 A Molecular Dynamics Study on Anisotropy of Momentum Transport Characteristics of Lioid Bilavers in Shear Flows

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Nonequilibrium molecular dynamics simulations were performed for lipid bilayers with ambient water under two shear flows along the bilayer plane to investigate mechanisms of heat generation and momentum transfer characteristics in the membranes. Under parallel shear flow to the bilayer, temperature rises by viscous heating in water layer and by frictional heating at the interface between two lipid monolayers. In the lipid tail area, intermolecular interaction contributes to momentum flux positively, while negative flux due to intramolecular interaction arises. In the lipid head area, positive and negative contributions of each interaction inverts. Under perpendicular shear flow to the bilayer, temperature of lipid is higher than that of water because of the difference of heat production by viscous heating and thermal conductivity. Momentum is dominantly transferred by intra- and intermolecular interaction between lipids. From the both simulations, friction coefficient at the interface of lipid acyl chains and surface shear viscosity of lipid are evaluated.

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