Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/111330
Title: The Impact of Magnetic Field on the Conformations of Supracolloidal Polymer-like Structures with Super-paramagnetic Monomers
Authors: Mostarac, D.
Novak, E. V.
Sánchez, P. A.
Kantorovich, S. S.
Issue Date: 2020
Publisher: Elsevier B.V.
Elsevier BV
Citation: The Impact of Magnetic Field on the Conformations of Supracolloidal Polymer-like Structures with Super-paramagnetic Monomers / D. Mostarac, E. V. Novak, P. A. Sánchez et al. — DOI 10.21538/0134-4889-2020-26-4-32-47 // Journal of Molecular Liquids. — 2020. — Vol. 305. — 112761.
Abstract: 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.
Keywords: CENTRAL ATTRACTION
CROSSLINKED POLYMER-LIKE STRUCTURES
LANGEVIN DYNAMICS SIMULATIONS
SUPER-PARAMAGNETIC PARTICLES
MAGNETIC FIELDS
MOLECULAR DYNAMICS
MONOMERS
PARAMAGNETISM
POLYMERS
VAN DER WAALS FORCES
CENTRAL ATTRACTION
CROSS-LINKED POLYMERS
HOMOGENEOUS MAGNETIC FIELD
LANGEVIN DYNAMICS
MAGNETIC FIELD STRENGTHS
MOLECULAR DYNAMICS SIMULATIONS
POLYMER-LIKE STRUCTURES
SUPERPARAMAGNETIC PARTICLES
CONFORMATIONS
URI: http://hdl.handle.net/10995/111330
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 85081616847
PURE ID: 12421766
ISSN: 0167-7322
DOI: 10.21538/0134-4889-2020-26-4-32-47
metadata.dc.description.sponsorship: 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.
RSCF project card: 19-72-10033
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

Files in This Item:
File Description SizeFormat 
2-s2.0-85081616847.pdf865,05 kBAdobe PDFView/Open


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.