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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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Detalles Bibliográficos
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
Descripción
Sumario:[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.