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Dense Disordered Jammed Packings of Hard Spherocylinders with a Low Aspect Ratio: A Characterization of Their Structure

[Image: see text] This work numerically investigates dense disordered (maximally random) jammed packings of hard spherocylinders of cylinder length L and diameter D by focusing on L/D ∈ [0,2]. It is within this interval that one expects that the packing fraction of these dense disordered jammed pack...

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Autores principales: González, Hugo Imaz, Cinacchi, Giorgio
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10405222/
https://www.ncbi.nlm.nih.gov/pubmed/37478840
http://dx.doi.org/10.1021/acs.jpcb.3c03195
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author González, Hugo Imaz
Cinacchi, Giorgio
author_facet González, Hugo Imaz
Cinacchi, Giorgio
author_sort González, Hugo Imaz
collection PubMed
description [Image: see text] This work numerically investigates dense disordered (maximally random) jammed packings of hard spherocylinders of cylinder length L and diameter D by focusing on L/D ∈ [0,2]. It is within this interval that one expects that the packing fraction of these dense disordered jammed packings ϕ(MRJ hsc) attains a maximum. This work confirms the form of the graph ϕ(MRJ hsc) versus L/D: here, comparably to certain previous investigations, it is found that the maximal ϕ(MRJ hsc) = 0.721 ± 0.001 occurs at L/D = 0.45 ± 0.05. Furthermore, this work meticulously characterizes the structure of these dense disordered jammed packings via the special pair-correlation function of the interparticle distance scaled by the contact distance and the ensuing analysis of the statistics of the hard spherocylinders in contact: here, distinctly from all previous investigations, it is found that the dense disordered jammed packings of hard spherocylinders with 0.45 ≲ L/D ≤ 2 are isostatic.
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spelling pubmed-104052222023-08-08 Dense Disordered Jammed Packings of Hard Spherocylinders with a Low Aspect Ratio: A Characterization of Their Structure González, Hugo Imaz Cinacchi, Giorgio J Phys Chem B [Image: see text] This work numerically investigates dense disordered (maximally random) jammed packings of hard spherocylinders of cylinder length L and diameter D by focusing on L/D ∈ [0,2]. It is within this interval that one expects that the packing fraction of these dense disordered jammed packings ϕ(MRJ hsc) attains a maximum. This work confirms the form of the graph ϕ(MRJ hsc) versus L/D: here, comparably to certain previous investigations, it is found that the maximal ϕ(MRJ hsc) = 0.721 ± 0.001 occurs at L/D = 0.45 ± 0.05. Furthermore, this work meticulously characterizes the structure of these dense disordered jammed packings via the special pair-correlation function of the interparticle distance scaled by the contact distance and the ensuing analysis of the statistics of the hard spherocylinders in contact: here, distinctly from all previous investigations, it is found that the dense disordered jammed packings of hard spherocylinders with 0.45 ≲ L/D ≤ 2 are isostatic. American Chemical Society 2023-07-21 /pmc/articles/PMC10405222/ /pubmed/37478840 http://dx.doi.org/10.1021/acs.jpcb.3c03195 Text en © 2023 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 González, Hugo Imaz
Cinacchi, Giorgio
Dense Disordered Jammed Packings of Hard Spherocylinders with a Low Aspect Ratio: A Characterization of Their Structure
title Dense Disordered Jammed Packings of Hard Spherocylinders with a Low Aspect Ratio: A Characterization of Their Structure
title_full Dense Disordered Jammed Packings of Hard Spherocylinders with a Low Aspect Ratio: A Characterization of Their Structure
title_fullStr Dense Disordered Jammed Packings of Hard Spherocylinders with a Low Aspect Ratio: A Characterization of Their Structure
title_full_unstemmed Dense Disordered Jammed Packings of Hard Spherocylinders with a Low Aspect Ratio: A Characterization of Their Structure
title_short Dense Disordered Jammed Packings of Hard Spherocylinders with a Low Aspect Ratio: A Characterization of Their Structure
title_sort dense disordered jammed packings of hard spherocylinders with a low aspect ratio: a characterization of their structure
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10405222/
https://www.ncbi.nlm.nih.gov/pubmed/37478840
http://dx.doi.org/10.1021/acs.jpcb.3c03195
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