skip to main content
US FlagAn official website of the United States government
dot gov icon
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
https lock icon
Secure .gov websites use HTTPS
A lock ( lock ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.


Title: Estimating random close packing in polydisperse and bidisperse hard spheres via an equilibrium model of crowding
We show that an analogy between crowding in fluid and jammed phases of hard spheres captures the density dependence of the kissing number for a family of numerically generated jammed states. We extend this analogy to jams of mixtures of hard spheres in d = 3 dimensions and, thus, obtain an estimate of the random close packing volume fraction, ϕRCP, as a function of size polydispersity. We first consider mixtures of particle sizes with discrete distributions. For binary systems, we show agreement between our predictions and simulations using both our own results and results reported in previous studies, as well as agreement with recent experiments from the literature. We then apply our approach to systems with continuous polydispersity using three different particle size distributions, namely, the log-normal, Gamma, and truncated power-law distributions. In all cases, we observe agreement between our theoretical findings and numerical results up to rather large polydispersities for all particle size distributions when using as reference our own simulations and results from the literature. In particular, we find ϕRCP to increase monotonically with the relative standard deviation, sσ, of the distribution and to saturate at a value that always remains below 1. A perturbative expansion yields a closed-form expression for ϕRCP that quantitatively captures a distribution-independent regime for sσ < 0.5. Beyond that regime, we show that the gradual loss in agreement is tied to the growth of the skewness of size distributions.  more » « less
Award ID(s):
2226387
PAR ID:
10440212
Author(s) / Creator(s):
; ; ; ; ;
Publisher / Repository:
American Institute of Physics
Date Published:
Journal Name:
The Journal of Chemical Physics
Volume:
158
Issue:
4
ISSN:
0021-9606
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
More Like this
  1. Abstract Geophysical fluid‐granular flows, such as pyroclastic currents and debris flows, owe much of their runout and hazard behavior to the occurrence and time‐variant decay of a flow‐internal fluid pore pressure. However, modeling the effects of fluid pore pressure to forecast hazards is challenging because a unified method in Earth Sciences to quantitatively determine the permeability of these natural mixtures is currently missing. Here we combine experiments on fluidization and defluidization of pyroclastic materials, eolian sediments, and glass beads mixtures with numerical multiphase simulations to compare previous attempts to compute the permeability of complex natural particle‐fluid mixtures. In analogy to particle‐engineering studies on simple gas‐particle mixtures, we demonstrate that the effective length‐scale in the characterization of the fluid‐particle interaction of complex natural mixtures is the product of the Sauter mean diameter and the particle sphericity. Its use in the Kozeny‐Carman equation allows accurate prediction of mixture permeability, and we suggest the routine calculation of the Sauter mean from grain size distributions of the deposits of geophysical mass flows in Earth Sciences. We also show, through defluidization experiments, that the duration of gas retention in natural mixtures is well described when using the Sauter mean as the effective particle size. Further, we show through multiphase simulations that initial bed expansion extends the pore pressure diffusion timescale up to nine times. These results can be applied to small‐to‐large volume dense pyroclastic currents where the ranges of Sauter mean diameter predict gas retention for long duration and to debris flows and snow avalanches. 
    more » « less
  2. Abstract Micromagnetic modeling allows the systematic study of the effects of particle size and shape on the first‐order reversal curve (FORC) magnetic hysteresis response for magnetite particles in the single‐domain (SD) and pseudo‐single domain (PSD) particle size range. The interpretation of FORCs, though widely used, has been highly subjective. Here, we use micromagnetics to model randomly oriented distributions of particles to allow more physically meaningful interpretations. We show that one commonly found type of PSD particle—namely the single vortex (SV) particle—has far more complex signals than SD particles, with multiple peaks and troughs in the FORC distribution, where the peaks have higher switching fields for larger SV particles. Particles in the SD to SV transition zone have the lowest switching fields. Symmetrical and prolate particles display similar behavior, with distinctive peaks forming near the vertical axis of the FORC diagram. In contrast, highly oblate particles produce “butterfly” structures, suggesting that these are potentially diagnostic of particle morphology. We also consider FORC diagrams for distributions of particle sizes and shapes and produce an online application that users can use to build their own FORC distributions. There is good agreement between the model predictions for distributions of particle sizes and shapes, and the published experimental literature. 
    more » « less
  3. We investigate the rheological behavior of athermal particle suspensions using experiments and theory. A generalized version of the homogenization estimates of Ponte Castañeda and Willis [J. Mech. Phys. Solids, 43(12), 1919–1951 (1995)] is presented for the effective viscosity of athermal suspensions accounting for additional microstructural features (e.g., polydispersity) via an empirical parameter, [Formula: see text]. For the case of identically sized spheres dispersed with statistical isotropy in a Newtonian fluid, the parameter [Formula: see text] is estimated from the results of Batchelor and Green [J. Fluid Mech. 56(2), 375–400 (1972)] for the Huggins coefficient. Predictions for the macroscopic viscosity are found to be in good agreement with measurements for monodisperse polymethyl methacrylate (PMMA) spheres in glycerol, as well as for the empirical Krieger–Dougherty equation for the shear viscosity. The proposed estimates have the added benefit that they can also be used to get information on the statistics of the stress and strain-rate fields in the fluid and particle phases. In addition, results for the effective shear viscosity are used in combination with the linear comparison method of Ponte Castañeda [J. Mech. Phys. Solids 39(1), 45–71 (1991)] to generate the corresponding estimates for the effective macroscopic behavior and field statistics of particle suspensions in (viscoplastic) yield stress fluids. Good agreement is also found between the theoretical estimates and experimental results for the effective yield and flow stress of suspensions with monodisperse PMMA spheres in Carbopol. Finally, it is argued that the results for the phase averages and fluctuations of the stress and strain-rate fields can be used to provide a physical interpretation for the parameter [Formula: see text] in terms of the polydispersity of the suspension and its implications for the percolation threshold. 
    more » « less
  4. Non-additive mixing plays a key role in the properties of molecular fluids and solids. In this work, the potential for athermal order–disorder phase transitions is explored in non-additive binary colloidal nanoparticles that form substitutionally ordered compounds, namely, for equimolar mixtures of octahedra + spheres, which form a CsCl lattice compound, and cubes + spheres, which form a NaCl crystal. Monte Carlo simulations that target phase coexistence conditions were used to examine the effect on compound formation of varying degrees of negative non-additivity created by component size asymmetry and by size-tunable indentations in the polyhedra’s facets, intended to allow the nestling of neighboring spheres. Our results indicate that the stabilization of the compound crystal requires a relatively large degree of negative non-additivity, which depends on particle geometry and the packing of the relevant phases. It is found that negative non-additivity can be achieved in mixtures of large spheres and small cubes having no indentations and lead to the athermal crystallization of the NaCl lattice. For similarly sized components, athermal congruent transitions are attainable and non-additivity can be generated through indentations, especially for the cubes + spheres system. Increasing indentation leads to lower phase coexistence free energy and pressure in the cubes + spheres system but has the opposite effect in the octahedra + spheres system. These results indicate a stronger stabilizing effect on the athermal compound phase by the cubes’ indentations, where a deeper nestling of the spheres leads to a denser compound phase and a larger reduction in the associated pressure-volume free-energy term. 
    more » « less
  5. Abstract Static granular packings play a central role in numerous industrial applications and natural settings. In these situations, fluid or fine particle flow through a bed of static particles is heavily influenced by the narrowest passage connecting the pores of the packing, commonly referred to as pore throats, or constrictions. Existing studies predominantly assume monodisperse rigid particles, but this is an oversimplification of the problem. In this work, we illustrate the connection between pore throat size, polydispersity, and particle deformation in a packed bed of spherical particles. Simple analytical expressions are provided to link these properties of the packing, followed by examples from Discrete Element Method (DEM) simulations of fine particle percolation demonstrating the impact of polydispersity and particle deformation. Our intent is to emphasize the substantial impact of polydispersity and particle deformation on constriction size, underscoring the importance of accounting for these effects in particle transport in granular packings. 
    more » « less