Efficient simulation of noncrossing fibers and chains in a hydrodynamic solvent

J.T. Padding

    Research output: Contribution to journalArticleAcademicpeer-review

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    Abstract

    An efficient simulation method is presented for Brownian fiber suspensions, which includes both uncrossability of the fibers and hydrodynamic interactions between the fibers mediated by a mesoscopic solvent. To conserve hydrodynamics, collisions between the fibers are treated such that momentum and energy are conserved locally. The choice of simulation parameters is rationalized on the basis of dimensionless numbers expressing the relative strength of different physical processes. The method is applied to suspensions of semiflexible fibers with a contour length equal to the persistence length, and a mesh size to contour length ratio ranging from 0.055 to 0.32. For such fibers the effects of hydrodynamic interactions are observable, but relatively small. The noncrossing constraint, on the other hand, is very important and leads to hindered displacements of the fibers, with an effective tube diameter in agreement with recent theoretical predictions. The simulation technique opens the way to study the effect of viscous effects and hydrodynamic interactions in microrheology experiments where the response of an actively driven probe bead in a fiber suspension is measured. © 2009 American Institute of Physics.
    Original languageEnglish
    Article number144903
    Pages (from-to)144903-1/11
    JournalJournal of Chemical Physics
    Volume130
    Issue number14
    DOIs
    Publication statusPublished - 2009

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    Hydrodynamics
    hydrodynamics
    fibers
    Fibers
    simulation
    Suspensions
    dimensionless numbers
    interactions
    beads
    mesh
    Momentum
    Physics
    tubes
    momentum
    physics
    collisions
    probes
    predictions
    Experiments

    Cite this

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    title = "Efficient simulation of noncrossing fibers and chains in a hydrodynamic solvent",
    abstract = "An efficient simulation method is presented for Brownian fiber suspensions, which includes both uncrossability of the fibers and hydrodynamic interactions between the fibers mediated by a mesoscopic solvent. To conserve hydrodynamics, collisions between the fibers are treated such that momentum and energy are conserved locally. The choice of simulation parameters is rationalized on the basis of dimensionless numbers expressing the relative strength of different physical processes. The method is applied to suspensions of semiflexible fibers with a contour length equal to the persistence length, and a mesh size to contour length ratio ranging from 0.055 to 0.32. For such fibers the effects of hydrodynamic interactions are observable, but relatively small. The noncrossing constraint, on the other hand, is very important and leads to hindered displacements of the fibers, with an effective tube diameter in agreement with recent theoretical predictions. The simulation technique opens the way to study the effect of viscous effects and hydrodynamic interactions in microrheology experiments where the response of an actively driven probe bead in a fiber suspension is measured. {\circledC} 2009 American Institute of Physics.",
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    Efficient simulation of noncrossing fibers and chains in a hydrodynamic solvent. / Padding, J.T.

    In: Journal of Chemical Physics, Vol. 130, No. 14, 144903, 2009, p. 144903-1/11.

    Research output: Contribution to journalArticleAcademicpeer-review

    TY - JOUR

    T1 - Efficient simulation of noncrossing fibers and chains in a hydrodynamic solvent

    AU - Padding, J.T.

    PY - 2009

    Y1 - 2009

    N2 - An efficient simulation method is presented for Brownian fiber suspensions, which includes both uncrossability of the fibers and hydrodynamic interactions between the fibers mediated by a mesoscopic solvent. To conserve hydrodynamics, collisions between the fibers are treated such that momentum and energy are conserved locally. The choice of simulation parameters is rationalized on the basis of dimensionless numbers expressing the relative strength of different physical processes. The method is applied to suspensions of semiflexible fibers with a contour length equal to the persistence length, and a mesh size to contour length ratio ranging from 0.055 to 0.32. For such fibers the effects of hydrodynamic interactions are observable, but relatively small. The noncrossing constraint, on the other hand, is very important and leads to hindered displacements of the fibers, with an effective tube diameter in agreement with recent theoretical predictions. The simulation technique opens the way to study the effect of viscous effects and hydrodynamic interactions in microrheology experiments where the response of an actively driven probe bead in a fiber suspension is measured. © 2009 American Institute of Physics.

    AB - An efficient simulation method is presented for Brownian fiber suspensions, which includes both uncrossability of the fibers and hydrodynamic interactions between the fibers mediated by a mesoscopic solvent. To conserve hydrodynamics, collisions between the fibers are treated such that momentum and energy are conserved locally. The choice of simulation parameters is rationalized on the basis of dimensionless numbers expressing the relative strength of different physical processes. The method is applied to suspensions of semiflexible fibers with a contour length equal to the persistence length, and a mesh size to contour length ratio ranging from 0.055 to 0.32. For such fibers the effects of hydrodynamic interactions are observable, but relatively small. The noncrossing constraint, on the other hand, is very important and leads to hindered displacements of the fibers, with an effective tube diameter in agreement with recent theoretical predictions. The simulation technique opens the way to study the effect of viscous effects and hydrodynamic interactions in microrheology experiments where the response of an actively driven probe bead in a fiber suspension is measured. © 2009 American Institute of Physics.

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