Molecular dynamics simulation of planar elongational flow in a nematic liquid crystal based on the Gay-Berne potential.

Abstract

Molecular dynamics simulations of planar elongational flow in a nematic liquid crystal model system based on the Gay-Berne fluid were undertaken by applying the SLLOD equations of motion with an elongational velocity field or strain rate. In order to facilitate the simulation, Kraynik-Reinelt periodic boundary conditions allowing arbitrarily long… (More)
DOI: 10.1039/c4cp04891a

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