| Literature DB >> 19548751 |
Yu Zhang1, Aleksandar Donev, Todd Weisgraber, Berni J Alder, Michael D Graham, Juan J de Pablo.
Abstract
We study the cyclic dynamics of a single polymer tethered to a hard wall in shear flow using Brownian dynamics, the lattice Boltzmann method, and a recent stochastic event-driven molecular dynamics algorithm. We focus on the dynamics of the free end (last bead) of the tethered chain and we examine the cross-correlation function and power spectral density of the chain extensions in the flow and gradient directions as a function of chain length N and dimensionless shear rate Wi. Extensive simulation results suggest a classical fluctuation-dissipation stochastic process and question the existence of periodicity of the cyclic dynamics, as previously claimed. We support our numerical findings with a simple analytical calculation for a harmonic dimer in shear flow.Entities:
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Year: 2009 PMID: 19548751 DOI: 10.1063/1.3149860
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488