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Nanoparticle Size Threshold for Magnetic Agglomeration and Associated Hyperthermia Performance
Article

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

1
UCCS Biofrontiers Center, University of Colorado at Colorado Springs, 1420 Austin Bluffs Parkway, Colorado Springs, CO 80918, USA
2
Instituto de Investigacións Tecnolóxicas and Applied Physics Department, Universidade de Santiago de Compostela, 15782 Santiago de Compostela, Spain
3
Department of Physics, University of York, York YO10 5DD, UK
4
School of Information and Physical Sciences, University of Newcastle, Callaghan, NSW 2308, Australia
*
Author to whom correspondence should be addressed.
Current address: NASA Goddard Space Flight Center, 8800 Greenbelt Rd., Greenbelt, MD 20771, USA.
Academic Editors: Oscar Iglesias and Goran Drazic
Nanomaterials 2021, 11(11), 2870; https://doi.org/10.3390/nano11112870
Received: 28 September 2021 / Revised: 21 October 2021 / Accepted: 26 October 2021 / Published: 27 October 2021
(This article belongs to the Special Issue Interactions Effects in Nanoscaled Magnetic Assemblies)
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 c. 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 (c is small) to disordered (c 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 c. View Full-Text
Keywords: magnetic nanoparticle; Langevin simulation; ligand; magnetic hyperthermia magnetic nanoparticle; Langevin simulation; ligand; magnetic hyperthermia
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  • Externally hosted supplementary file 1
    Doi: 10.5281/zenodo.5534264
    Link: https://zenodo.org/record/5534264#.YVMZNaARXOQ
    Description: Supplemental files include: four videos of the magnetic nanoparticles moving in response to an alternating applied field, in correspondence to Figure 3 panels (a)-(d) of the main text. The Fortran code used to generate the article's data and the videos is also provided in Supplemental Files.
MDPI and ACS Style

Anderson, N.R.; Davidson, J.; Louie, D.R.; Serantes, D.; Livesey, K.L. Simulating the Self-Assembly and Hysteresis Loops of Ferromagnetic Nanoparticles with Sticking of Ligands. Nanomaterials 2021, 11, 2870. https://doi.org/10.3390/nano11112870

AMA Style

Anderson NR, Davidson J, Louie DR, Serantes D, Livesey KL. Simulating the Self-Assembly and Hysteresis Loops of Ferromagnetic Nanoparticles with Sticking of Ligands. Nanomaterials. 2021; 11(11):2870. https://doi.org/10.3390/nano11112870

Chicago/Turabian Style

Anderson, Nicholas R., Jonathon Davidson, Dana R. Louie, David Serantes, and Karen L. Livesey 2021. "Simulating the Self-Assembly and Hysteresis Loops of Ferromagnetic Nanoparticles with Sticking of Ligands" Nanomaterials 11, no. 11: 2870. https://doi.org/10.3390/nano11112870

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