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Freely Suspended Semiflexible Chains in a Strong Aligning Field: Simple Closed-Form Solutions for the Small-Angle Approximation

Published version
Peer-reviewed

Type

Article

Change log

Authors

Kloza, PA 

Abstract

jats:titleAbstract</jats:title>jats:pA worm‐like chain model for a single, freely suspended semiflexible macromolecule with an aligning field of arbitrary coupling order is presented. Using a small‐angle approximation and Ginzburg–Landau theory, exact closed‐form solutions of the model are derived in the regime of a strong aligning field in arbitrary dimensions. Expressions for the mean cosine of the chain alignment angle, orientational order parameters, and the two‐point correlation function are found. As a corollary, the persistence length is confirmed as a valid threshold for rigid behavior of the chain. The theoretical results are validated with Monte Carlo simulations in two and three dimensions. It is shown that the solutions for the small‐angle approximation are within of the simulated values for the exact model for chain‐field alignment angles θ ≲ 20°. As a practical application, the findings are applied to carbon nanotubes in an aligning electric field.</jats:p>

Description

Keywords

carbon nanotube, electric, Ginzburg-Landau, Monte Carlo, worm-like chain

Journal Title

Macromolecular Theory and Simulations

Conference Name

Journal ISSN

1022-1344
1521-3919

Volume Title

29

Publisher

Wiley
Sponsorship
Engineering and Physical Sciences Research Council (EP/L015552/1)
Engineering and Physical Sciences Research Council (EP/P020259/1)
Engineering and Physical Sciences Research Council (2280508)