Dynamics of discrete semiflexible chains under dihedral constraints: analytic results

J Chem Phys. 2013 May 28;138(20):204902. doi: 10.1063/1.4807058.

Abstract

Here we consider the dynamics of semiflexible polymers subject both to angular and to dihedral constraints. We succeed in obtaining analytically the dynamical matrix of such systems by extending the formalism developed by Dolgushev and Blumen [J. Chem. Phys. 131, 044905 (2009)]. This leads to a set of Langevin equations whose eigenvalues determine many dynamical properties. Exemplarily, we display the mechanical relaxation loss moduli [G"(ω)] as a function of several, distinct sets of microscopic stiffness parameters; it turns out that such differences lead to macroscopically distinct patterns.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Molecular Dynamics Simulation*
  • Polymers / chemistry*

Substances

  • Polymers