Self-assembly of designed supramolecular magnetic filaments of different shapes

In the present work we study via molecular dynamics simulations filaments of ring and linear shape. Filaments are made of magnetic nanoparticles, possessing a point dipole in their centres. Particles in filaments are crosslinked in a particular way, so that the deviation of the neighbouring dipoles...

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Bibliographic Details
Published in:Journal of magnetism and magnetic materials 2017-06, Vol.431, p.152-156
Main Authors: Novak, E.V., Rozhkov, D.A., Sanchez, P.A., Kantorovich, S.S.
Format: Article
Language:English
Subjects:
Computer simulation
Computer simulations
Crosslinking
Dipoles
Dispersions
Filaments
Impact analysis
Magnetic colloids
Magnetic fields
Molecular conformation
Molecular dynamics
Nanoparticles
Self-assembly
Simulation
Studies
Supramolecular magnetic filaments
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Summary:In the present work we study via molecular dynamics simulations filaments of ring and linear shape. Filaments are made of magnetic nanoparticles, possessing a point dipole in their centres. Particles in filaments are crosslinked in a particular way, so that the deviation of the neighbouring dipoles from the head-to-tail orientation is penalised by the bond. We show how the conformation of a single chain and ring filament changes on cooling for different lengths. We also study filament pairs, by fixing filaments at a certain distance and analysing the impact of inter-filament interaction on the equilibrium configurations. Our study opens a perspective to investigate the dispersions of filaments, both theoretically and numerically, by using effective potentials. •Single filament study.•Magnetic particles crosslinked in chains and rings.•Magnetic filament interactions.
ISSN:0304-8853
1873-4766
DOI:10.1016/j.jmmm.2016.10.046