Powered by OpenAIRE graph
Found an issue? Give us feedback
addClaim

Dynamics of stiff polymer chains

Authors: Marshall Fixman;

Dynamics of stiff polymer chains

Abstract

The dynamics of worm-like polymer chains is considered for models with constrained bond lengths and elastic or constrained bond angles. Previous work attempted either the representation of the constraints on a complete basis set, which is impractical for chains of more than a few bonds, or the analytical preaveraging of inverse constraint matrices, which is too crude an approximation for local motions. Here the constraint matrices are evaluated from equilibrium simulations. A comparison of the analytical results with dynamical simulations shows good agreement for both global and local motions, indicating that the relevant memory in chains without rotational barriers does not extend past vibrational relaxation times. The dynamical diffusion operator is diagonal on a Rouse basis set to an adequate approximation, indicating that the effects of constraints can be imitated by the inclusion of internal friction in the basic Langevin equation. The internal friction approximation is useful even for extremely stiff chains, and the dependence of the apparent internal friction on mode number, chain stiffness, and chain length is examined. With fluctuating hydrodynamic interaction included, the constraints generate a coupling between local motions and translational diffusion which causes a small decrease in the translational diffusion constant. The effects are similar to those found in a previous phenomenological study of the effects of internal friction on translational diffusion, and do not seem to vanish with increasing chain length.

Related Organizations
  • BIP!
    Impact byBIP!
    selected citations
    These citations are derived from selected sources.
    This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    36
    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
    Top 10%
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    Top 10%
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
    Top 10%
Powered by OpenAIRE graph
Found an issue? Give us feedback
selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
36
Top 10%
Top 10%
Top 10%
Upload OA version
Are you the author of this publication? Upload your Open Access version to Zenodo!
It’s fast and easy, just two clicks!