Shape Change of Micelles Dragged with Constant Velocity as Addressed in Terms of Biolubrication Application

Molecular dynamics simulations have been performed for a model of coarse-grained lipids in water. We try to establish structural properties of micelles when they are dragged past each other. The lipid-lipid and lipid-water interactions are taken from a coarse-grained model first introduced by Marrink et al. This work focuses on shape changes upon mutual interaction of micelles when dragged with constant velocity. We find that micelles can change their shapes from spherical to cylindrical regardless of the number of constituting lipids. We address this result toward understanding facilitated vs. obstructed lubrication of articular cartilage by synovial fluid at nanoscale level.