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research article

On The Stochastic Modeling Of Rigid Body Systems With Application To Polymer Dynamics

Walter, J.
•
Gonzalez, O.
•
Maddocks, J. H.  
2010
Multiscale Modeling & Simulation

The stochastic equations of motion for a system of interacting rigid bodies in a solvent are formulated and studied. Three-dimensional bodies of arbitrary shape, with arbitrary couplings between translational and rotational degrees of freedom, as arise in coarse-grained models of polymers, are considered. Beginning from an Euler-Langevin form of the equations, two different, properly invariant, Hamilton-Langevin forms are derived and studied together with various associated measures. Under different conditions depending on the choice of rotational coordinates, the canonical measure is shown to be a stationary solution of an associated Fokker-Planck equation and to always factorize into independent measures on configuration and velocity spaces. Explicit expressions are given for these measures, along with a certain Jacobian factor associated with the three-dimensional rotation group. When specialized to a fully coupled, quadratic model of a stiff polymer such as DNA, our results yield an explicit characterization of the complete set of model parameters.

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Type
research article
DOI
10.1137/090765705
Web of Science ID

WOS:000277583300012

Author(s)
Walter, J.
Gonzalez, O.
Maddocks, J. H.  
Date Issued

2010

Published in
Multiscale Modeling & Simulation
Volume

8

Start page

1018

End page

1053

Subjects

Euler-Langevin equations

•

Hamilton-Langevin equations

•

stationary measures

•

polymer modeling

•

Unique Tetranucleotide Sequences

•

Fokker-Planck Equations

•

Molecular-Dynamics

•

Dna Oligonucleotides

•

Base-Pair

•

Simulations

•

Elasticity

•

Curvature

•

Langevin

•

Motion

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LCVMM  
Available on Infoscience
December 16, 2011
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/75522
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