We investigate the structural, vibrational, and mechanical properties of jammed packings of deformable particles with shape degrees of freedom in three dimensions (3D). Each 3D deformable particle is modeled as a surface-triangulated polyhedron, with spherical vertices whose positions are determined by a shape-energy function with terms that constrain the particle surface area, volume, and curvature, and prevent interparticle overlap. We show that jammed packings of deformable particles without bending energy possess low-frequency, quartic vibrational modes, whose number decreases with increasing asphericity and matches the number of missing contacts relative to the isostatic value. In contrast, jammed packings of deformable particles with non-zero bending energy are isostatic in 3D, with no quartic modes. We find that the contributions to the eigenmodes of the dynamical matrix from the shape degrees of freedom are significant over the full range of frequency and shape parameters for particles with zero bending energy. We further show that the ensemble-averaged shear modulus 〈 G 〉 scales with pressure P as 〈 G 〉 ∼ P β , with β ≈ 0.75 for jammed packings of deformable particles with zero bending energy. In contrast, β ≈ 0.5 for packings of deformable particles with non-zero bending energy, which matches the value for jammed packings of soft, spherical particles with fixed shape. These studies underscore the importance of incorporating particle deformability and shape change when modeling the properties of jammed soft materials.
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The role of deformability in determining the structural and mechanical properties of bubbles and emulsions
We perform computational studies of jammed particle packings in two dimensions undergoing isotropic compression using the well-characterized soft particle (SP) model and deformable particle (DP) model that we developed for bubbles and emulsions. In the SP model, circular particles are allowed to overlap, generating purely repulsive forces. In the DP model, particles minimize their perimeter, while deforming at the fixed area to avoid overlap during compression. We compare the structural and mechanical properties of jammed packings generated using the SP and DP models as a function of the packing fraction ρ, instead of the reduced number density φ. We show that near jamming onset the excess contact number Δz=z-z J and shear modulus G scale as Δρ 0.5 in the large system limit for both models, where Δρ=ρ-ρ J and z J ≈4 and ρ J ≈0.842 are the values at jamming onset. Δz and G for the SP and DP models begin to differ for ρ≥0.88. In this regime, Δz∼G can be described by a sum of two power-laws in Δρ, i.e. Δz∼G∼C 0 Δρ 0.5 +C 1 Δρ 1.0 to lowest order. We show that the ratio C 1 /C 0 is much larger for the DP model compared to that for the SP model. We also characterize the void space in jammed packings as a function of ρ. We find that the DP model can describe the formation of Plateau borders as ρ→1.0. We further show that the results for z and the shape factor A versus ρ for the DP model agree with recent experimental studies of foams and emulsions.
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- NSF-PAR ID:
- 10099328
- Date Published:
- Journal Name:
- Soft Matter
- ISSN:
- 1744-683X
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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Site description. This data package consists of data obtained from sampling surface soil (the 0-7.6 cm depth profile) in black mangrove (Avicennia germinans) dominated forest and black needlerush (Juncus roemerianus) saltmarsh along the Gulf of Mexico coastline in peninsular west-central Florida, USA. This location has a subtropical climate with mean daily temperatures ranging from 15.4 °C in January to 27.8 °C in August, and annual precipitation of 1336 mm. Precipitation falls as rain primarily between June and September. Tides are semi-diurnal, with 0.57 m median amplitudes during the year preceding sampling (U.S. NOAA National Ocean Service, Clearwater Beach, Florida, station 8726724). Sea-level rise is 4.0 ± 0.6 mm per year (1973-2020 trend, mean ± 95 % confidence interval, NOAA NOS Clearwater Beach station). The A. germinans mangrove zone is either adjacent to water or fringed on the seaward side by a narrow band of red mangrove (Rhizophora mangle). A near-monoculture of J. roemerianus is often adjacent to and immediately landward of the A. germinans zone. The transition from the mangrove to the J. roemerianus zone is variable in our study area. An abrupt edge between closed-canopy mangrove and J. roemerianus monoculture may extend for up to several hundred meters in some locations, while other stretches of ecotone present a gradual transition where smaller, widely spaced trees are interspersed into the herbaceous marsh. Juncus roemerianus then extends landward to a high marsh patchwork of succulent halophytes (including Salicornia bigellovi, Sesuvium sp., and Batis maritima), scattered dwarf mangrove, and salt pans, followed in turn by upland vegetation that includes Pinus sp. and Serenoa repens. Field design and sample collection. We established three study sites spaced at approximately 5 km intervals along the western coastline of the central Florida peninsula. The sites consisted of the Salt Springs (28.3298°, -82.7274°), Energy Marine Center (28.2903°, -82.7278°), and Green Key (28.2530°, -82.7496°) sites on the Gulf of Mexico coastline in Pasco County, Florida, USA. At each site, we established three plot pairs, each consisting of one saltmarsh plot and one mangrove plot. Plots were 50 m^2 in size. Plots pairs within a site were separated by 230-1070 m, and the mangrove and saltmarsh plots composing a pair were 70-170 m apart. All plot pairs consisted of directly adjacent patches of mangrove forest and J. roemerianus saltmarsh, with the mangrove forests exhibiting a closed canopy and a tree architecture (height 4-6 m, crown width 1.5-3 m). Mangrove plots were located at approximately the midpoint between the seaward edge (water-mangrove interface) and landward edge (mangrove-marsh interface) of the mangrove zone. Saltmarsh plots were located 20-25 m away from any mangrove trees and into the J. roemerianus zone (i.e., landward from the mangrove-marsh interface). Plot pairs were coarsely similar in geomorphic setting, as all were located on the Gulf of Mexico coastline, rather than within major sheltering formations like Tampa Bay, and all plot pairs fit the tide-dominated domain of the Woodroffe classification (Woodroffe, 2002, "Coasts: Form, Process and Evolution", Cambridge University Press), given their conspicuous semi-diurnal tides. There was nevertheless some geomorphic variation, as some plot pairs were directly open to the Gulf of Mexico while others sat behind keys and spits or along small tidal creeks. Our use of a plot-pair approach is intended to control for this geomorphic variation. 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Cores were then capped and transferred on ice to our laboratory at the University of South Florida (Tampa, Florida, USA), where they were combined in plastic zipper bags, and homogenized by hand into plot-level composite samples on the day they were collected. A damp soil subsample was immediately taken from each composite sample to initiate 1 y incubations for determination of active C and N (see below). The remainder of each composite sample was then placed in a drying oven (60 °C) for 1 week with frequent mixing of the soil to prevent aggregation and liberate water. Organic wetland soils are sometimes dried at 70 °C, however high drying temperatures can volatilize non-water liquids and oxidize and decompose organic matter, so 50 °C is also a common drying temperature for organic soils (Gardner 1986, "Methods of Soil Analysis: Part 1", Soil Science Society of America); we accordingly chose 60 °C as a compromise between sufficient water removal and avoidance of non-water mass loss. 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We generate and study dense positionally and/or orientationally disordered, including jammed, monodisperse packings of hard convex lens-shaped particles (lenses). Relatively dense isotropic fluid configurations of lenses of various aspect ratios are slowly compressed via a Monte Carlo method based procedure. Under this compression protocol, while ‘flat’ lenses form a nematic fluid phase (where particles are positionally disordered but orientationally ordered) and ‘globular’ lenses form a plastic solid phase (where particles are positionally ordered but orientationally disordered), ‘intermediate’, neither ‘flat’ nor ‘globular’, lenses do not form either mesophase. In general, a crystal solid phase (where particles are both positionally and orientationally ordered) does not spontaneously form during lengthy numerical simulation runs. In correspondence to those volume fractions at which a transition to the crystal solid phase would occur in equilibrium, a ‘downturn’ is observed in the inverse compressibility factor versus volume fraction curve beyond which this curve behaves essentially linearly. This allows us to estimate the volume fraction at jamming of the dense non-crystalline packings so generated. These packings are nematic for ‘flat’ lenses and plastic for ‘globular’ lenses, while they are robustly isotropic for ‘intermediate’ lenses, as confirmed by the calculation of the τ order metric, among other quantities. The structure factors S ( k ) of the corresponding jammed states tend to zero as the wavenumber k goes to zero, indicating they are effectively hyperuniform ( i.e. , their infinite-wavelength density fluctuations are anomalously suppressed). Among all possible lens shapes, ‘intermediate’ lenses with aspect ratio around 2/3 are special because they are those that reach the highest volume fractions at jamming while being positionally and orientationally disordered and these volume fractions are as high as those reached by nematic jammed states of ‘flat’ lenses and plastic jammed states of ‘globular’ lenses. All of their attributes, taken together, make such ‘intermediate’ lens packings particularly good glass-forming materials.more » « less
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We report a procedure to obtain the search distance used to determine particle contact in dense suspensions of smooth and rough colloids. This method works by summing physically relevant length scales in an uncertainty analysis and does not require detailed quantification of the surface roughness. We suspend sterically stabilized, fluorescent poly(methyl methacrylate) colloids in a refractive index-matched solvent, squalene, in order to ensure hard sphere-like behavior. High speed centrifugation is used to pack smooth and rough colloids to their respective jamming points, ϕ J . The jammed suspensions are subsequently diluted with known volumes of solvent to ϕ < ϕ J . Structural parameters obtained from confocal laser scanning micrographs of the diluted colloidal suspensions are extrapolated to ϕ J to determine the mean contact number at jamming, 〈 z 〉 J . Contact below jamming refers to nearest neighbors at a length scale below which the effects of hydrodynamic or geometric friction come into play. Sensitivity analyses show that a deviation of the search distance by 1% of the particle diameter results in 〈 z 〉 changing by up to 10%, with the error in contact number distribution being magnified in dense suspensions ( ϕ > 0.50) due to an increased number of nearest neighbors in the first coordination shell.more » « less
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null (Ed.)We investigate the mechanical response of packings of purely repulsive, frictionless disks to quasistatic deformations. The deformations include simple shear strain at constant packing fraction and at constant pressure, “polydispersity” strain (in which we change the particle size distribution) at constant packing fraction and at constant pressure, and isotropic compression. For each deformation, we show that there are two classes of changes in the interparticle contact networks: jump changes and point changes. Jump changes occur when a contact network becomes mechanically unstable, particles “rearrange”, and the potential energy (when the strain is applied at constant packing fraction) or enthalpy (when the strain is applied at constant pressure) and all derivatives are discontinuous. During point changes, a single contact is either added to or removed from the contact network. For repulsive linear spring interactions, second- and higher-order derivatives of the potential energy/enthalpy are discontinuous at a point change, while for Hertzian interactions, third- and higher-order derivatives of the potential energy/enthalpy are discontinuous. We illustrate the importance of point changes by studying the transition from a hexagonal crystal to a disordered crystal induced by applying polydispersity strain. During this transition, the system only undergoes point changes, with no jump changes. We emphasize that one must understand point changes, as well as jump changes, to predict the mechanical properties of jammed packings.more » « less
- Free Publicly Accessible Full Text
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Accepted Manuscript1.0
- Journal Article:
- https://doi.org/10.1039/C9SM00775J
