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Manipulating Interactions between Dielectric Particles with Electric Fields: A General Electrostatic Many-Body Framework

[Image: see text] We derive a rigorous analytical formalism and propose a numerical method for the quantitative evaluation of the electrostatic interactions between dielectric particles in an external electric field. This formalism also allows for inhomogeneous charge distributions, and, in particul...

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Autores principales: Hassan, Muhammad, Williamson, Connor, Baptiste, Joshua, Braun, Stefanie, Stace, Anthony J., Besley, Elena, Stamm, Benjamin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9558380/
https://www.ncbi.nlm.nih.gov/pubmed/36075051
http://dx.doi.org/10.1021/acs.jctc.2c00008
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author Hassan, Muhammad
Williamson, Connor
Baptiste, Joshua
Braun, Stefanie
Stace, Anthony J.
Besley, Elena
Stamm, Benjamin
author_facet Hassan, Muhammad
Williamson, Connor
Baptiste, Joshua
Braun, Stefanie
Stace, Anthony J.
Besley, Elena
Stamm, Benjamin
author_sort Hassan, Muhammad
collection PubMed
description [Image: see text] We derive a rigorous analytical formalism and propose a numerical method for the quantitative evaluation of the electrostatic interactions between dielectric particles in an external electric field. This formalism also allows for inhomogeneous charge distributions, and, in particular, for the presence of pointlike charges on the particle surface. The theory is based on a boundary integral equation framework and yields analytical expressions for the interaction energy and net forces that can be computed in linear scaling cost, with respect to the number of interacting particles. We include numerical results that validate the proposed method and show the limitations of the fixed dipole approximation at small separation between interacting particles. The proposed method is also applied to study the stability and melting of ionic colloidal crystals in an external electric field.
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spelling pubmed-95583802022-10-14 Manipulating Interactions between Dielectric Particles with Electric Fields: A General Electrostatic Many-Body Framework Hassan, Muhammad Williamson, Connor Baptiste, Joshua Braun, Stefanie Stace, Anthony J. Besley, Elena Stamm, Benjamin J Chem Theory Comput [Image: see text] We derive a rigorous analytical formalism and propose a numerical method for the quantitative evaluation of the electrostatic interactions between dielectric particles in an external electric field. This formalism also allows for inhomogeneous charge distributions, and, in particular, for the presence of pointlike charges on the particle surface. The theory is based on a boundary integral equation framework and yields analytical expressions for the interaction energy and net forces that can be computed in linear scaling cost, with respect to the number of interacting particles. We include numerical results that validate the proposed method and show the limitations of the fixed dipole approximation at small separation between interacting particles. The proposed method is also applied to study the stability and melting of ionic colloidal crystals in an external electric field. American Chemical Society 2022-09-08 2022-10-11 /pmc/articles/PMC9558380/ /pubmed/36075051 http://dx.doi.org/10.1021/acs.jctc.2c00008 Text en © 2022 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Hassan, Muhammad
Williamson, Connor
Baptiste, Joshua
Braun, Stefanie
Stace, Anthony J.
Besley, Elena
Stamm, Benjamin
Manipulating Interactions between Dielectric Particles with Electric Fields: A General Electrostatic Many-Body Framework
title Manipulating Interactions between Dielectric Particles with Electric Fields: A General Electrostatic Many-Body Framework
title_full Manipulating Interactions between Dielectric Particles with Electric Fields: A General Electrostatic Many-Body Framework
title_fullStr Manipulating Interactions between Dielectric Particles with Electric Fields: A General Electrostatic Many-Body Framework
title_full_unstemmed Manipulating Interactions between Dielectric Particles with Electric Fields: A General Electrostatic Many-Body Framework
title_short Manipulating Interactions between Dielectric Particles with Electric Fields: A General Electrostatic Many-Body Framework
title_sort manipulating interactions between dielectric particles with electric fields: a general electrostatic many-body framework
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9558380/
https://www.ncbi.nlm.nih.gov/pubmed/36075051
http://dx.doi.org/10.1021/acs.jctc.2c00008
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