Journal
SOFT MATTER
Volume 16, Issue 18, Pages 4528-4539Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/d0sm00110d
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Funding
- National Natural Science Foundation of China [11972047, 11572004]
- High-Performance Computing Platform of Peking University
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We numerically investigate disordered jammed packings with both size and shape polydispersity, using frictionless superellipsoidal particles. We implement the set Voronoi tessellation technique to evaluate the local specific volume, i.e., the ratio of cell volume over particle volume, for each individual particle. We focus on the average structural properties for different types of particles binned by their sizes and shapes. We generalize the basic observation that the larger particles are locally packed more densely than the smaller ones in a polydisperse-sized packing into systems with coupled particle shape dispersity. For this purpose, we define the normalized free volume v(f) to measure the local compactness of a particle and study its dependency on the normalized particle size A. The definition of v(f) relies on the calibrated monodisperse specific volume for a certain particle shape. For packings with shape dispersity, we apply the previously introduced concept of equivalent diameter for a non-spherical particle to define A properly. We consider three systems: (A) linear superposition states of mixed-shape packings, (B) merely polydisperse-sized packings, and (C) packings with coupled size and shape polydispersity. For (A), the packing is simply considered as a mixture of different subsystems corresponding to monodisperse packings for different shape components, leading to A = 1, and v(f) = 1 by definition. We propose a concise model to estimate the shape-dependent factor alpha(c), which defines the equivalent diameter for a certain particle. For (B), v(f) collapses as a function of A, independent of specific particle shape and size polydispersity. Such structural universality is further validated by a mean-field approximation. For (C), we find that the master curve v(f)(A) is preserved when particles possess similar alpha(c) in a packing. Otherwise, the dispersity of alpha(c) among different particles causes the deviation from v(f)(A). These findings show that a polydisperse packing can be estimated as the combination of various building blocks, i.e., bin components, with a universal relation v(f)(A).
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