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Geometric percolation of hard-sphere dispersions in shear flow

We combine a heuristic theory of geometric percolation and the Smoluchowski theory of colloid dynamics to predict the impact of shear flow on the percolation threshold of hard spherical colloidal particles, and verify our findings by means of molecular dynamics simulations. It appears that the impac...

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Autores principales: Pihlajamaa, Ilian, de Bruijn, René, van der Schoot, Paul
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9157507/
https://www.ncbi.nlm.nih.gov/pubmed/35593227
http://dx.doi.org/10.1039/d2sm00375a
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author Pihlajamaa, Ilian
de Bruijn, René
van der Schoot, Paul
author_facet Pihlajamaa, Ilian
de Bruijn, René
van der Schoot, Paul
author_sort Pihlajamaa, Ilian
collection PubMed
description We combine a heuristic theory of geometric percolation and the Smoluchowski theory of colloid dynamics to predict the impact of shear flow on the percolation threshold of hard spherical colloidal particles, and verify our findings by means of molecular dynamics simulations. It appears that the impact of shear flow is subtle and highly non-trivial, even in the absence of hydrodynamic interactions between the particles. The presence of shear flow can both increase and decrease the percolation threshold, depending on the criterion used for determining whether or not two particles are connected and on the Péclet number. Our approach opens up a route to quantitatively predict the percolation threshold in nanocomposite materials that, as a rule, are produced under non-equilibrium conditions, making comparison with equilibrium percolation theory tenuous. Our theory can be adapted straightforwardly for application in other types of flow field, and particles of different shape or interacting via other than hard-core potentials.
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spelling pubmed-91575072022-06-21 Geometric percolation of hard-sphere dispersions in shear flow Pihlajamaa, Ilian de Bruijn, René van der Schoot, Paul Soft Matter Chemistry We combine a heuristic theory of geometric percolation and the Smoluchowski theory of colloid dynamics to predict the impact of shear flow on the percolation threshold of hard spherical colloidal particles, and verify our findings by means of molecular dynamics simulations. It appears that the impact of shear flow is subtle and highly non-trivial, even in the absence of hydrodynamic interactions between the particles. The presence of shear flow can both increase and decrease the percolation threshold, depending on the criterion used for determining whether or not two particles are connected and on the Péclet number. Our approach opens up a route to quantitatively predict the percolation threshold in nanocomposite materials that, as a rule, are produced under non-equilibrium conditions, making comparison with equilibrium percolation theory tenuous. Our theory can be adapted straightforwardly for application in other types of flow field, and particles of different shape or interacting via other than hard-core potentials. The Royal Society of Chemistry 2022-05-16 /pmc/articles/PMC9157507/ /pubmed/35593227 http://dx.doi.org/10.1039/d2sm00375a Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by/3.0/
spellingShingle Chemistry
Pihlajamaa, Ilian
de Bruijn, René
van der Schoot, Paul
Geometric percolation of hard-sphere dispersions in shear flow
title Geometric percolation of hard-sphere dispersions in shear flow
title_full Geometric percolation of hard-sphere dispersions in shear flow
title_fullStr Geometric percolation of hard-sphere dispersions in shear flow
title_full_unstemmed Geometric percolation of hard-sphere dispersions in shear flow
title_short Geometric percolation of hard-sphere dispersions in shear flow
title_sort geometric percolation of hard-sphere dispersions in shear flow
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9157507/
https://www.ncbi.nlm.nih.gov/pubmed/35593227
http://dx.doi.org/10.1039/d2sm00375a
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