The Impact of Magnetic Field on the Conformations of Supracolloidal Polymer-like Structures with Super-paramagnetic Monomers
| Autor: | Mostarac, D., Novak, E. V., Sánchez, P. A., Kantorovich, S. S. |
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| Jazyk: | angličtina |
| Rok vydání: | 2020 |
| Předmět: |
SUPERPARAMAGNETIC PARTICLES
POLYMER-LIKE STRUCTURES VAN DER WAALS FORCES HOMOGENEOUS MAGNETIC FIELD MOLECULAR DYNAMICS SIMULATIONS MAGNETIC FIELDS MONOMERS PARAMAGNETISM CONFORMATIONS LANGEVIN DYNAMICS LANGEVIN DYNAMICS SIMULATIONS MAGNETIC FIELD STRENGTHS CENTRAL ATTRACTION CROSS-LINKED POLYMERS CROSSLINKED POLYMER-LIKE STRUCTURES MOLECULAR DYNAMICS POLYMERS SUPER-PARAMAGNETIC PARTICLES |
| Zdroj: | J Mol Liq Journal of Molecular Liquids |
| Popis: | We investigate the properties of magnetic supracolliodal polymers – magnetic filaments (MFs) – with super-paramagnetic monomers, with and without Van der Waals (VdW) attraction between them. We employ molecular dynamics (MD) simulations to elucidate the impact of crosslinking mechanism on the structural and magnetic response of MFs to an applied external homogeneous magnetic field. We consider two models: plain crosslinking, which results in a flexible backbone; and constrained crosslinking, which provides significant stiffens against bending. We find that for plain crosslinking, even a slight increase of the central attraction leads to collapsed MF conformations. Structures that initially exhibit spherical symmetry evolve into cylindrically symmetric ones, with growing magnetic field strength. Plain crosslinking also allows for conformational bistability. MFs with constrained crosslinking tend to, instead, unravel in field. In both crosslinking scenarios, central attraction is able to hinder low-field magnetic response of MFs, albeit the bistability of plainly crosslinked MFs manifests itself also in the high-field region. © 2020 Elsevier B.V. This research has been supported by the Russian Science Foundation Grant No. 19-72-10033 . S.S.K acknowledges support from the Austrian Science Fund (FWF), START-Projekt Y 627-N27. |
| Databáze: | OpenAIRE |
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