Effects of the dipolar interaction on the equilibrium morphologies of a single supramolecular magnetic filament in bulk
| Autor: | Pedro A. Sánchez, Joan J. Cerdà, Tomàs Sintes, Christian Holm |
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| Přispěvatelé: | Junta de Andalucía, Ministerio de Educación y Ciencia (España) |
| Jazyk: | angličtina |
| Rok vydání: | 2013 |
| Předmět: |
Models
Molecular Materials science Magnetic structure Magnetic moment Condensed Matter - Mesoscale and Nanoscale Physics Supramolecular chemistry General Physics and Astronomy FOS: Physical sciences Molecular Dynamics Simulation Condensed Matter - Soft Condensed Matter Protein filament Magnetics Dipole Electromagnetic coil Chemical physics Mesoscale and Nanoscale Physics (cond-mat.mes-hall) Soft Condensed Matter (cond-mat.soft) Physical and Theoretical Chemistry Langevin dynamics Magnetic dipole–dipole interaction |
| Zdroj: | Digital.CSIC. Repositorio Institucional del CSIC instname |
| Popis: | arXiv:1302.5845 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. © 2013 AIP Publishing LLC. We thank Peter Košovan for useful discussions and the following organizations for providing the necessary computational resources: bwGRiD, GRID-CSIC, and Project FIS2012-30634 (funded by the Spanish MEC). We also thank the Junta de Andalucía for its support via P11-FQM-7074 project (Spain). |
| Databáze: | OpenAIRE |
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