MOLECULAR DYNAMICS SIMULATION OF A MICROVILLUS IN A CROSS FLOW

• DOI: 10.1142/s0217984905010116
• Publication Date: 2006-01-17T06:08:04Z
• Authors: X. Y. CHEN; Y. LIU; R. M. C. SO; J. M. YANG
• Keywords: Microvillus; Microscale chemistry; Glycocalyx; Dissipative particle dynamics; Microvessel; Penetration (warfare); Lattice Boltzmann methods

One of the functions microvilli in microvessel endothelial glycocalyx is molecular filtering. The microvillus behaves as a mechanosensory system which may sense fluid shear and drag forces. permeability small particles crucial for drug design delivery. Therefore better understanding flow field around important to simulate accurately particle penetration microvessel. Since dimension about ~10 nm , conventional Navier-Stokes equation not be good enough such microscale nanoscale structures. Molecular dynamics (MD) simulation powerful method at level. As first attempt, reduced two-dimensional cylinder cross flow. detailed lift together with are obtained compared available data.