Minimal energy packings of nearly flexible polymers
Abstract
We extend recent studies of the minimal energy packings of short flexible polymers with hard-core-like repulsions and short-range attractions to include bond-angle interactions with the aim of describing the collapsed conformations of `colloidal' polymers. We find that flexible tangent sticky-hard-sphere (t-SHS) packings provide a useful perturbative basis for analyzing polymer packings with nonzero bending stiffness only for {\it small} ratios of the stiffnesses for the bond-angle () and pair () interactions, i.e. for monomers, and the critical ratio decreases with . Below , angular interactions give rise to an exponential (in ) increase in the number of distinct angular energies arising from the diversity of covalent backbone paths through t-SHS packings. As increases above , the low-lying energy landscape changes dramatically as finite bending stiffness alters the structure of the polymer packings. This study lays the groundwork for exact-enumeration studies of the collapsed states of t-SHS-like models with larger bending stiffness.
Keywords
Cite
@article{arxiv.1210.3712,
title = {Minimal energy packings of nearly flexible polymers},
author = {Robert S. Hoy and Jared Harwayne-Gidansky and Corey S. O'Hern},
journal= {arXiv preprint arXiv:1210.3712},
year = {2015}
}
Comments
accepted for publication in J. Chem. Phys