4.5 Article

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

Journal

JOURNAL OF PHYSICAL CHEMISTRY B
Volume 127, Issue 30, Pages 6814-6824

Publisher

AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcb.3c03195

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This work numerically investigates dense disordered jammed packings of hard spherocylinders with cylinder length L and diameter D. The study confirms the form of the graph phi;(MRJ hsc) versus L/D and finds that the maximal phi;(MRJ hsc) = 0.721 & PLUSMN; 0.001 occurs at L/D = 0.45 & PLUSMN; 0.05. Furthermore, the structure of these dense disordered jammed packings and their isostatic behavior for hard spherocylinders with 0.45 & LSIM; L/D & LE; 2 are characterized in detail.
This work numerically investigates dense disordered (maximallyrandom) jammed packings of hard spherocylinders of cylinder length L and diameter D by focusing on L/D & ISIN; [0,2]. It is within this intervalthat one expects that the packing fraction of these dense disorderedjammed packings & phi;(MRJ hsc) attains a maximum.This work confirms the form of the graph & phi;(MRJ hsc) versus L/D: here, comparably tocertain previous investigations, it is found that the maximal & phi;(MRJ hsc) = 0.721 & PLUSMN; 0.001 occurs at L/D = 0.45 & PLUSMN; 0.05. Furthermore, this work meticulouslycharacterizes the structure of these dense disordered jammed packingsvia the special pair-correlation function of the interparticle distancescaled by the contact distance and the ensuing analysis of the statisticsof the hard spherocylinders in contact: here, distinctly from allprevious investigations, it is found that the dense disordered jammedpackings of hard spherocylinders with 0.45 & LSIM; L/D & LE; 2 are isostatic.

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