Simulating the Self-Assembly and Hysteresis Loops of Ferromagnetic Nanoparticles with Sticking of Ligands

The agglomeration of ferromagnetic nanoparticles in a fluid is studied using nanoparticle-level Langevin dynamics simulations. The simulations have interdigitation and bridging between ligand coatings included using a computationally-cheap, phenomenological sticking parameter <i>c</i>. T...

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Autores principales:	Nicholas R. Anderson, Jonathon Davidson, Dana R. Louie, David Serantes, Karen L. Livesey
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	magnetic nanoparticle Langevin simulation ligand magnetic hyperthermia Chemistry QD1-999
Acceso en línea:	https://doaj.org/article/710761ea3c3f4e61a7a436d598b13655
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spelling	oai:doaj.org-article:710761ea3c3f4e61a7a436d598b136552021-11-25T18:30:29ZSimulating the Self-Assembly and Hysteresis Loops of Ferromagnetic Nanoparticles with Sticking of Ligands10.3390/nano111128702079-4991https://doaj.org/article/710761ea3c3f4e61a7a436d598b136552021-10-01T00:00:00Zhttps://www.mdpi.com/2079-4991/11/11/2870https://doaj.org/toc/2079-4991The agglomeration of ferromagnetic nanoparticles in a fluid is studied using nanoparticle-level Langevin dynamics simulations. The simulations have interdigitation and bridging between ligand coatings included using a computationally-cheap, phenomenological sticking parameter <i>c</i>. The interactions between ligand coatings are shown in this preliminary study to be important in determining the shapes of agglomerates that form. A critical size for the sticking parameter is estimated analytically and via the simulations and indicates where particle agglomerates transition from well-ordered (<i>c</i> is small) to disordered (<i>c</i> is large) shapes. Results are also presented for the hysteresis loops (magnetization versus applied field) for these particle systems in an oscillating magnetic field appropriate for hyperthermia applications. The results show that the clumping of particles has a significant effect on their macroscopic properties, with important consequences on applications. In particular, the work done by an oscillating field on the system has a nonmonotonic dependence on <i>c</i>.Nicholas R. AndersonJonathon DavidsonDana R. LouieDavid SerantesKaren L. LiveseyMDPI AGarticlemagnetic nanoparticleLangevin simulationligandmagnetic hyperthermiaChemistryQD1-999ENNanomaterials, Vol 11, Iss 2870, p 2870 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	magnetic nanoparticle Langevin simulation ligand magnetic hyperthermia Chemistry QD1-999
spellingShingle	magnetic nanoparticle Langevin simulation ligand magnetic hyperthermia Chemistry QD1-999 Nicholas R. Anderson Jonathon Davidson Dana R. Louie David Serantes Karen L. Livesey Simulating the Self-Assembly and Hysteresis Loops of Ferromagnetic Nanoparticles with Sticking of Ligands
description	The agglomeration of ferromagnetic nanoparticles in a fluid is studied using nanoparticle-level Langevin dynamics simulations. The simulations have interdigitation and bridging between ligand coatings included using a computationally-cheap, phenomenological sticking parameter <i>c</i>. The interactions between ligand coatings are shown in this preliminary study to be important in determining the shapes of agglomerates that form. A critical size for the sticking parameter is estimated analytically and via the simulations and indicates where particle agglomerates transition from well-ordered (<i>c</i> is small) to disordered (<i>c</i> is large) shapes. Results are also presented for the hysteresis loops (magnetization versus applied field) for these particle systems in an oscillating magnetic field appropriate for hyperthermia applications. The results show that the clumping of particles has a significant effect on their macroscopic properties, with important consequences on applications. In particular, the work done by an oscillating field on the system has a nonmonotonic dependence on <i>c</i>.
format	article
author	Nicholas R. Anderson Jonathon Davidson Dana R. Louie David Serantes Karen L. Livesey
author_facet	Nicholas R. Anderson Jonathon Davidson Dana R. Louie David Serantes Karen L. Livesey
author_sort	Nicholas R. Anderson
title	Simulating the Self-Assembly and Hysteresis Loops of Ferromagnetic Nanoparticles with Sticking of Ligands
title_short	Simulating the Self-Assembly and Hysteresis Loops of Ferromagnetic Nanoparticles with Sticking of Ligands
title_full	Simulating the Self-Assembly and Hysteresis Loops of Ferromagnetic Nanoparticles with Sticking of Ligands
title_fullStr	Simulating the Self-Assembly and Hysteresis Loops of Ferromagnetic Nanoparticles with Sticking of Ligands
title_full_unstemmed	Simulating the Self-Assembly and Hysteresis Loops of Ferromagnetic Nanoparticles with Sticking of Ligands
title_sort	simulating the self-assembly and hysteresis loops of ferromagnetic nanoparticles with sticking of ligands
publisher	MDPI AG
publishDate	2021
url	https://doaj.org/article/710761ea3c3f4e61a7a436d598b13655
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Simulating the Self-Assembly and Hysteresis Loops of Ferromagnetic Nanoparticles with Sticking of Ligands

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