Pulling on grafted flexible polymers can cause twisted bundles

Abstract

Bundles of semiflexible polymers can twist at low temperatures to balance energy gain from attraction and energy cost from bending. This raises the question whether twisting can be also observed for bundles of rather flexible grafted polymers stretched out by pulling force. Here, we address this question using Monte Carlo computer simulations of small bundles. Our data show that for weak forces F < F_l, intertwined globular conformations are favored, whereas for strong forces F > F_u, rod-like bundles emerge. In the intermediate force window F_l < F < F_u, bundles with a helical twist can be clearly identified. Applying a field to all monomers yields qualitatively the same effect. This suggests the conclusion that rather flexible polymers under pulling force or field behave effectively like semiflexible polymers without external pull.