Effects of the dipolar interaction on the equilibrium morphologies of a single supramolecular magnetic filament in bulk

TL;DR

This study uses Langevin dynamics simulations to explore how magnetic dipolar interactions influence the equilibrium shapes of a single supramolecular magnetic filament, revealing three distinct structural regimes and the transition to ring-like configurations.

Contribution

It identifies and characterizes three structural regimes of a magnetic filament influenced by dipolar interactions, highlighting differences from two-dimensional systems.

Findings

Identification of coil compaction, expansion, and closed chain regimes.

Transition from open to closed morphologies with increasing dipolar strength.

Absence of multiloop configurations in three-dimensional systems.

Abstract

We study the equilibrium morphologies of a single supramolecular magnetic filament in a three-dimensional system as a function of the effective strength of the magnetic dipolar interactions. The study is performed by means of Langevin dynamics simulations with a bead-spring chain model of freely rotating dipoles. We demonstrate the existence of three structural regimes as the value of the dipolar coupling parameter is increased: a coil compaction regime, a coil expansion regime and a closed chain regime in which the structures tend progressively to an ideal ring configuration. We discuss the governing effects of each regime, the structural transition between open and closed morphologies, and the reasons why we see no multiloop configurations that have been observed in two-dimensional systems under similar conditions.