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S A Shkulipa

Publications and source records attributed to S A Shkulipa.

3 recordsLinked to original sources

Simulations of the dynamics of thermal undulations in lipid bilayers in the tensionless state and under stress.

The relaxation processes of height undulations and density fluctuations in a membrane have been studied by molecular dynamics simulations of a coarse grained amphiphilic bilayer model. We observe a double exponential decay in their time correlations, with relaxation rates in good quantitative agreement with the theory by Seifert and Langer [Europhys. Lett. 23, 71 (1993)]. Intermonolayer friction due to slippage between the two monolayers is shown to be the dominant dissipative mechanism at the high wave numbers, q>10 mum(-1), typically encountered in computer simulations. We briefly discuss the ramifications of the slow undulatory relaxation process for the calculation of bending rigidities from the static undulation structure factors. The relaxation rates are sensitive to the surface tension, and at high elongations an oscillatory contribution is observed in the time correlation of the undulations.

Algorithms↗

Thermal undulations of lipid bilayers relax by intermonolayer friction at submicrometer length scales.

The time correlation functions of the thermal undulations of a lipid membrane have been studied by molecular dynamics simulations of a coarse-grained bilayer model. We observe a double-exponential decay, with relaxation rates in good agreement with the theory by Seifert and Langer, [Europhys. Lett. 23, 71 (1993)]. Intermonolayer friction resulting from local velocity differences between the two monolayers is shown to be the dominant dissipative mechanism for fluctuations with wave lengths below approximately -0.1 microm.

Friction↗

Surface viscosity, diffusion, and intermonolayer friction: simulating sheared amphiphilic bilayers.

The flow properties of an amphiphilic bilayer are studied in molecular dynamics simulations, by exposing a coarse grained model bilayer to two shear flows directed along the bilayer surface. The first field, with a vorticity perpendicular to the bilayer, induces a regular shear deformation, allowing a direct calculation of the surface viscosity. In experiments this property is measured indirectly, by relating it to the diffusion coefficient of a tracer particle through the Saffman-Einstein expression. The current calculations provide an independent test of this relation. The second flow field, with a vorticity parallel to the bilayer, causes the two constituent monolayers to slide past one another, yielding the interlayer friction coefficient.

Computer Simulation↗