Minimal energy packings of nearly flexible polymers.
نویسندگان
چکیده
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 small ratios of the stiffnesses for the bond-angle (k(b)) and pair (k(c)) interactions, i.e., k(b) (crit)/k(c)</~0.01 for N < 10 monomers, and the critical ratio decreases with N. Below k(b) (crit), angular interactions give rise to an exponential (in N) increase in the number of distinct angular energies arising from the diversity of covalent backbone paths through t-SHS packings. As k(b) increases above k(b) (crit), 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.
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ورودعنوان ژورنال:
- The Journal of chemical physics
دوره 138 5 شماره
صفحات -
تاریخ انتشار 2013