Periodic orientational motions of rigid liquid-crystalline polymers in shear flow

Y.G. Tao, Wouter K. den Otter, Willem J. Briels

Research output: Contribution to journalArticleAcademicpeer-review

9 Citations (Scopus)

Abstract

The collective periodic motions of liquid-crystalline polymers in a nematic phase in shear flow have, for the first time, been simulated at the particle level by Brownian dynamics simulations. A wide range of parameter space has been scanned by varying the aspect ratio L/D between 10 and 60 at three different scaled volume fractions L/D and an extensive series of shear rates. The influence of the start configuration of the box on the final motion has also been studied. Depending on these parameters, the motion of the director is either characterized as tumbling, kayaking, log-rolling, wagging, or flow-aligning. The periods of kayaking and wagging motions are given by T=4.2(L/D)–1 for high aspect ratios. Our simulation results are in agreement with theoretical predictions and recent shear experiments on fd viruses in solution. These calculations of elongated rigid rods have become feasible with a newly developed event-driven Brownian dynamics algorithm.
Original languageEnglish
Article number204902
Number of pages10
JournalJournal of chemical physics
Volume124
Issue number20
DOIs
Publication statusPublished - 2006

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Liquid crystal polymers
Shear flow
shear flow
Aspect ratio
Barreling
polymers
liquids
Viruses
Shear deformation
Volume fraction
shear
Computer simulation
viruses
high aspect ratio
boxes
aspect ratio
rods
simulation
Experiments
configurations

Keywords

  • IR-59922
  • METIS-233731

Cite this

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abstract = "The collective periodic motions of liquid-crystalline polymers in a nematic phase in shear flow have, for the first time, been simulated at the particle level by Brownian dynamics simulations. A wide range of parameter space has been scanned by varying the aspect ratio L/D between 10 and 60 at three different scaled volume fractions L/D and an extensive series of shear rates. The influence of the start configuration of the box on the final motion has also been studied. Depending on these parameters, the motion of the director is either characterized as tumbling, kayaking, log-rolling, wagging, or flow-aligning. The periods of kayaking and wagging motions are given by T=4.2(L/D)–1 for high aspect ratios. Our simulation results are in agreement with theoretical predictions and recent shear experiments on fd viruses in solution. These calculations of elongated rigid rods have become feasible with a newly developed event-driven Brownian dynamics algorithm.",
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Periodic orientational motions of rigid liquid-crystalline polymers in shear flow. / Tao, Y.G.; den Otter, Wouter K.; Briels, Willem J.

In: Journal of chemical physics, Vol. 124, No. 20, 204902, 2006.

Research output: Contribution to journalArticleAcademicpeer-review

TY - JOUR

T1 - Periodic orientational motions of rigid liquid-crystalline polymers in shear flow

AU - Tao, Y.G.

AU - den Otter, Wouter K.

AU - Briels, Willem J.

PY - 2006

Y1 - 2006

N2 - The collective periodic motions of liquid-crystalline polymers in a nematic phase in shear flow have, for the first time, been simulated at the particle level by Brownian dynamics simulations. A wide range of parameter space has been scanned by varying the aspect ratio L/D between 10 and 60 at three different scaled volume fractions L/D and an extensive series of shear rates. The influence of the start configuration of the box on the final motion has also been studied. Depending on these parameters, the motion of the director is either characterized as tumbling, kayaking, log-rolling, wagging, or flow-aligning. The periods of kayaking and wagging motions are given by T=4.2(L/D)–1 for high aspect ratios. Our simulation results are in agreement with theoretical predictions and recent shear experiments on fd viruses in solution. These calculations of elongated rigid rods have become feasible with a newly developed event-driven Brownian dynamics algorithm.

AB - The collective periodic motions of liquid-crystalline polymers in a nematic phase in shear flow have, for the first time, been simulated at the particle level by Brownian dynamics simulations. A wide range of parameter space has been scanned by varying the aspect ratio L/D between 10 and 60 at three different scaled volume fractions L/D and an extensive series of shear rates. The influence of the start configuration of the box on the final motion has also been studied. Depending on these parameters, the motion of the director is either characterized as tumbling, kayaking, log-rolling, wagging, or flow-aligning. The periods of kayaking and wagging motions are given by T=4.2(L/D)–1 for high aspect ratios. Our simulation results are in agreement with theoretical predictions and recent shear experiments on fd viruses in solution. These calculations of elongated rigid rods have become feasible with a newly developed event-driven Brownian dynamics algorithm.

KW - IR-59922

KW - METIS-233731

U2 - 10.1063/1.2197497

DO - 10.1063/1.2197497

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VL - 124

JO - Journal of chemical physics

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