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Title:
A generalized bead-rod model for Brownian dynamics simulations of wormlike chains under strong confinement
Authors:
Wang, Jizeng; Gao, Huajian
Affiliation:
AA(Max Planck Institute for Metals Research, Heisenbergstrasse 3, D-70569 Stuttgart, Germany), AB(Max Planck Institute for Metals Research, Heisenbergstrasse 3, D-70569 Stuttgart, Germany)
Publication:
Journal of Chemical Physics, Volume 123, Issue 8, pp. 084906-084906-13 (2005). (JChPh Homepage)
Publication Date:
08/2005
Origin:
AIP
PACS Keywords:
Macromolecular and polymer solutions, polymer melts, swelling, Theory and models of liquid structure, DNA RNA, Structure and bonding
Abstract Copyright:
2005: American Institute of Physics
DOI:
10.1063/1.2008233
Bibliographic Code:
2005JChPh.123h4906W

Abstract

This paper is aimed to develop a Brownian dynamics simulation method for strongly confined semiflexible polymers where numerical simulation plays an indispensable role in complementing theory and experiments. A wormlike chain under strong confinement is modeled as a string of virtual spherical beads connected by inextensible rods with length varying according to the confinement intensity of the chain measured by the Odijk deflection length. The model takes hydrodynamic interactions into account. The geometrical constraints associated with the inextensible rods are realized by the so-called linear constraint solver. The model parameters are studied by quantitatively comparing the simulated properties of a double-stranded DNA chain with available experimental data and theoretical predictions.
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Database: Astronomy
Physics
arXiv e-prints