Rigid Particles Research Articles

A shape-driven reentrant jamming transition in confluent monolayers of synthetic cell-mimics

Many critical biological processes, like wound healing, require densely packed cell monolayers/tissues to transition from a jammed solid-like to a fluid-like state. Although numerical studies anticipate changes in the cell shape alone can lead to unjamming, experimental support for this prediction is not definitive because, in living systems, fluidization due to density changes cannot be ruled out. Additionally, a cell’s ability to modulate its motility only compounds difficulties since even in assemblies of rigid active particles, changing the nature of self-propulsion has non-trivial effects on the dynamics. Here, we design and assemble a monolayer of synthetic cell-mimics and examine their collective behaviour. By systematically increasing the persistence time of self-propulsion, we discovered a cell shape-driven, density-independent, re-entrant jamming transition. Notably, we observed cell shape and shape variability were mutually constrained in the confluent limit and followed the same universal scaling as that observed in confluent epithelia. Dynamical heterogeneities, however, did not conform to this scaling, with the fast cells showing suppressed shape variability, which our simulations revealed is due to a transient confinement effect of these cells by their slower neighbors. Our experiments unequivocally establish a morphodynamic link, demonstrating that geometric constraints alone can dictate epithelial jamming/unjamming.

Effect of internal structure and resin deformability on drying rate and stress in convective drying of silica–latex coatings

Latex paint is an aqueous dispersion of nano-sized polymer particles that can form a thin film by itself or mixed with rigid particles. We have developed an apparatus that can simultaneously measure drying rate and stress generation and have investigated the film formation process of a latex-only coating layer under convection drying. In the present study, we adopted the same method to investigate the film formation process of the silica–latex coating layer. As a result, we were able to systematically correlate the drying rate change by the equivalent thickness of latex particles accumulated with silica particles at the drying surface. Furthermore, it is unveiled that the drying rate in the former stage depends on drying temperature, while the drying rate changed to be dominated by silica content after the particle-packing layer was formed over the entire coating layer. On the other hand, the model we proposed for stress generation, considering the temperature effect on latex deformability, was found to be applicable to the present experimental system by replacing a portion of deformable particles with rigid particles.Graphical abstract

Quartz Crystal Microbalance Frequency Response to Discrete Adsorbates in Liquids.

Quartz crystal microbalance with dissipation monitoring (QCM-D) has become a major tool enabling accurate investigation of the adsorption kinetics of nanometric objects such as DNA fragments, polypeptides, proteins, viruses, liposomes, polymer, and metal nanoparticles. However, in liquids, a quantitative analysis of the experimental results is often intricate because of the complex interplay of hydrodynamic and adhesion forces varying with the physicochemical properties of adsorbates and functionalized QCM-D sensors. In the present paper, we dissect the role of hydrodynamics for the analytically tractable case of stiff contact, whereas the adsorbed rigid particles oscillate with the resonator without rotation. Under the assumption of the low surface coverage, we theoretically study the excess shear force exerted on the resonator, which has two contributions: (i) the fluid-mediated force due to flow disturbance created by the particle and (ii) the force exerted on the particle by the fluid and transmitted to the sensor via contact. The theoretical analysis enables an accurate interpretation of the QCM-D impedance measurements. It is demonstrated inter alia that for particles of the size comparable with protein molecules, the hydrodynamic force dominates over the inertial force and that the apparent mass derived from QCM independently of the overtone is about 10 times the Sauerbrey (inertial) mass. The theoretical results show excellent agreement with the results of experiments and advanced numerical simulations for a wide range of particle sizes and oscillation frequencies.

Impacts of packed bed polydispersity and deformation on fine particle transport

AbstractStatic 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.

Thermodynamically consistent hybrid computational models for fluid-particle interactions

We introduce a novel computational framework designed to explore the dynamic interactions between fluid and solid particles or structures immersed in a viscous fluid medium adhering to the generalized Onsager principle. This innovative framework harnesses the power of the phase-field-embedding method, in which each solid component, whether rigid or elastic, is characterized by a volume-preserving phase field. The unified velocity within the fluid-solid ensemble governs the movement of both solid particles and the surrounding fluid, specifically for passive particles. Active particles, however, are not only influenced by this unified velocity but are also driven by their self-propelling velocities. To capture exclusive volume interactions among particles and between particles and boundaries, we employ repulsive potential forces at a coarser scale. These forces effectively model repulsion and collision effects. Rigid particles maintain structural integrity by enforcing a zero velocity gradient tensor within their spatial domains, necessitating the introduction of a constraining stress tensor. In contrast, elastic particles are governed by a quasi-linear constitutive equation describing the elastic stress within their domains, allowing for accurate modeling of their deformations. The motion of solid particles is tracked by monitoring the dynamics of their centers of mass. This approach facilitates the development of a hybrid, thermodynamically consistent hydrodynamic model applicable to both rigid and elastic particles. To numerically solve this thermodynamically consistent model for elastic particles, we present a structure-preserving numerical algorithm. Notably, in the limit of an infinite elastic modulus, this algorithm converges to the one employed for modeling rigid particles. Finally, we substantiate the effectiveness, accuracy, and stability of our proposed scheme through a series of numerical experiments. These experiments not only validate the computational framework but also showcase its capabilities, reinforcing the reliability of our approach.

Micropolar effects on the effective shear viscosity of nanofluids

The modified size-dependent Einstein's and Brinkman's solutions are established for the effective shear viscosity of rigid particle suspensions taking into account the micropolar effects in the base fluid. Solutions are obtained based on the homogenization approach and allow us to take into account the influence of the particle size. Two non-classical parameters arise in the considered micropolar solutions: the length scale parameter and the coupling (micropolarity) number of the base fluid. The solutions developed are validated using tests performed with polydimethylsiloxane based TiO2 nanofluids as well as other published data on the size-dependent shear viscosity of different nanofluids. Good agreement between the predictions and the experimental data is established across a wide range of volume fractions and size of nanoparticles. The possibility for unique identification (at given temperature) of the micropolar parameters of the base fluids is shown. Temperature-dependent values of non-classical rotational and spin viscosities of polydimethylsiloxane, ethylene glycol, and water are evaluated.

Achieving Superior Strength–Ductility–Conductivity Combination in TiB2p/6201 Composites via Particle Rotation and Subgrain Refinement

The key factor in the material design of overhead power transmission lines is to obtain a desired balance among strength, ductility, and electrical conductivity. Herein, TiB2 particulate‐reinforced aluminum matrix composites are prepared to find a way out of the intrinsic dilemma behind this balance by tailoring the subgrain refinement. The interaction in the form of inhomogeneous deformation induced by the flexibility discrepancy between the rigid particles and soft matrix is studied. On the one hand, the hexagonal plate‐like TiB2 particles rotate with the inhomogeneous deformation, forcing the biggest exposed plane ((0001) basal plane) parallel to the plastic flow direction, which is beneficial for the dislocation multiplication and hindrance of dislocation slipping. On the other hand, inhomogeneous deformation generates plentiful geometry necessary dislocations and divides the microstructure into two types: in the particle‐rich region ultrafine grains are formed and in the particle‐free region significant subgrains refinement is observed. The subgrains with 3 wt% TiB2 are refined from ≈897 to ≈248 nm. Thanks to these microstructural benefits, the composites achieve the following strength–ductility–conductivity combination: ultimate tensile strength is 370 MPa, elongation after fracture is 11.2%, and electrical conductivity is 51.79% IACS. Besides, the elastic modulus reaches 75.43 GPa.

Effect of Calcium Carbonate as Filler on the Physicomechanical Properties of Polypropylene Random

To minimize the cost of production and enhancement pipe quality, this research aims to gain insights into the physical and mechanical characteristics of high-performance polypropylene random filled with rigid inorganic calcium carbonate particles at various content levels, with a specific focus on how the toughness of PPR changes. Virgin Polypropylene Random PPR, a new material extracted from a homopolymer polypropylene, is used as a matrix with 10, 20, 30, 40, and 50 wt. % of CaCO3. The density, melt flow rate, tensile strength, tensile strain, modulus of elasticity, and hardness are used to evaluate the quality of the material. The results showed that the density, the modulus of elasticity, and the hardness increased with increasing the percentage of CaCO3. As the percentage of CaCO3 increased, the melt flow rate decreased. The tensile strength and strain increased to 28.7 MPa and 533.25%, respectively at 20 wt.% of CaCO3, with 14.8% and 6.65% reaching gains compared to the virgin PPR (25 MPa and 500%). The enhancement of the mechanical properties is thanks to the presence of stiffer and rigid particles of CaCO3 that act as a reinforcing agent. Moreover, when CaCO3 is well dispersed, it forms a strong bond with the polypropylene matrix, and facilitates the transfer of stress from the matrix to the fillers, resulting in increased stiffness. The optimum percentage of CaCO3 to add into the inner layer of extruded PPR pipes is at a composition of the filler of 20 wt. %.

Shaping membrane vesicles by adsorption of hinge-like nanoparticles.

The adsorption of particles onto fluid membranes can lead to membrane-mediated interactions between particles that promote their self-assembly and lead to changes in membrane morphology. However, in contrast with rigid particles, relatively little is known about deformable particles, which introduce additional complexities due to the mutual deformability of the particles and the membrane. Here, we use Monte Carlo simulations and umbrella sampling to investigate the equilibrium properties of hinge-like particles adsorbed on membrane vesicles by means of anisotropic, attractive interactions. We vary the hinge stiffness, adhesive area fraction, patterning of adhesive regions, and number of adsorbed particles. Depending on their properties, isolated particles can conform to the vesicle, induce invaginations of the membrane, or exhibit multistable behavior in which they sample distinct classes of configurations due to the interplay of particle and membrane deformations. With two adsorbed particles, the properties of the particles can be used to promote aggregation, bias the particles to different parts of the vesicle, or stabilize the coexistence of both cases. With multiple adsorbed particles, the number and type control their organization and collective impact on the vesicle, which can adopt shapes ranging from roughly spherical to dumbbell-like and multi-lobed. Our results highlight how modifying the mechanical properties and patterned adhesion of deformable particles, which is possible with DNA nanotechnology, influences their self-assembly and the resulting shapes of both the particles and vesicles.

Synthesis and preparation of thermoplastic silicone elastomer and molecular dynamics simulation of self healing and mechanical properties

Previous studies have shown that the self-healing properties of modified polydimethylsiloxane (PDMS) elastomer are primarily attributed to hydrogen bonding with modified silica. The addition of modified silica can improve the tensile strength of the PDMS matrix, as the modified silica and modified PDMS blend groups generate more hydrogen bonding interactions, resulting in better self-healing properties. However, as the proportion of silica in the system gradually increases, the rigid particles cause a slight decrease in the tensile property of the material. Consequently, it is crucial to strike a balance between the desired mechanical properties and the self-healing capabilities when investigating this subject matter.To investigate the self-healing behavior of PDMS elastomer, a molecular dynamics technique based on a microcracking model was employed. During the compounding process, isocyanate-modified nanosilica was added to the polysiloxane matrix.The ratio of soft and hard segments, which determines the number of hydrogen bonds, was optimized by varying the silica addition ratio from 1 % to 5 %. The performance of the samples was analyzed using several calculations, including Fraction of Free Volume (FFV), Mean Square Displacement function (MSD), and Relative Concentration (RC).The results revealed that the highest self-healing performance and fastest self-healing rate were achieved when the silica addition ratio was 3 %. All tested structures displayed efficient healing within a short time frame. The primary hydrogen bonding exchanges occurred between the urea and UPy groups within the system.Furthermore, the experimental results aligned with the findings from the molecular dynamics simulations, thereby validating this study.

STUDY OF MICROSCALE PORE STRUCTURE AND FRACTURING ON THE EXAMPLE OF CHINA SHALE FIELD

Accurate characterization of pores and fractures in shale reservoirs is the theoretical basis for effective exploration and development of shale oil and gas. Currently, the scientific community has developed methods for determining the characteristics of the pore and fracture structure of shales with different resolutions, and also discussed the mechanisms of the influence of the characteristics of pores and cracks on the filtration of shale oil and gas. In this work, firstly, a three-dimensional model of a variable-scale pore-fracture structure was created. Secondly, on the basis of data obtained using computed tomography, the characteristics of the development of pores and cracks at different geometric sizes (25 and 2 mm) were statistically analyzed. Third, pore and fracture structures of mixed, felsitic and laminated felsitic shale have been relatively studied. The results show that: (a) the fractured porosity of group I felsite shale is 0.36–0.89 %; mixed shale of group I is 0.34–0.47 %; mixed shale of group III is 0.12–0.86 %; mixed shale of group III is 0.13–0.15 %. (b) Compared to mixed shale of group I, fracturing in felsite shale of the same group is more developed. In addition, the average fractured porosity of felsite shale is 0.28 % greater than that of mixed shale. After analyzing group III, it was noticed that the cracks of the mixed dolomite shale are less developed compared to the mixed shale of the same group, while the average porosity of the cracked shale is 0.33 % less than that of the cracks of the mixed shale (c). Various components of shale samples are distinguished on a gray scale. High density components are bright white (e.g. pyrite); medium density components — light gray (for example, quartz, carbonate and clay minerals); low-density components — dark gray (for example, organic matter); cracks — black (d). The volume of matrix components is relatively high and constitutes the bulk of the total volume of shale samples. The distribution of high-density minerals has a certain randomness. High-density ellipsoidal or irregular minerals (mainly pyrite) range in diameter from a few microns to hundreds of microns, and their volume is relatively small (e). Three types of microscale fractures are mainly developed in shale: microscale fractures within mineral particles (intragranular fractures), microscale fractures between mineral particles (intergranular fractures), and shrinkage fractures. Intragranular cracks are mainly microscale cracks formed by rigid particles that collapse in a certain direction under stress.

Rheology of moderated dilute suspensions of star colloids: The shape factor

Star colloids are rigid particles with long and slender arms connected to a central core. We show numerically that the colloid shapes control the rheology of their suspensions. In particular, colloids with curved arms and hooks can entangle with neighbor particles and form large clusters that can sustain high stresses. When a large cluster permeates the whole system, the viscosity increases many fold. Contrary to the case of spherical colloids, we observe that these effects are very strong even at moderate volumes fraction over a wide range of Péclet numbers.

Application of fluid rheology models for milled woody biomass and non-recyclable municipal solid waste particles

Biofuels from biomass and non-recyclable municipal solid waste (N-MSW) can potentially replace aviation fossil fuels. However, the cost-effectiveness is impeded by feedstock handling issues, such as unstable flow or jamming in hoppers and feeders. This issue can be solved mainly based on enhanced understanding of the rheology of biomass and N-MSW particles, which remains poorly understood. Leveraging discrete and continuum-based granular rheology models, in this study, we conduct industry-scale hopper flow testing of milled woody biomass, paper, cardboard, foam, thin film, and plastic particles, and investigate the potential of using fluid rheology models to characterize the hopper flow behavior. The hopper flow tests demonstrate different flow behaviors of tested materials, including fast flow, stable-to-unstable flow, and varying flow rates. Numerical simulation of hopper flow tests utilizing the Gudehus-Bauer hypoplastic model demonstrates good agreement with experimental data for the biomass and rigid plastic particles, and those using non-Newtonian fluid models exhibit promising agreement with experimental data with low computational cost. However, new fluid rheological models are required to capture the unstable and varying rate flows of highly compressible particles such as paper and foam. This study advances the knowledge on the rheology of particulate biomass and N-MSW materials for biofuel production.

Approaches for fast Brownian dynamics simulation with constraints

Constraints can be used to eliminate quickly fluctuating degrees of freedom in dynamical systems enabling solutions that resolve the behavior of the system with fewer time steps over long time scales. In Brownian dynamics models, these constraints lead to linear equations which represent saddle point problems describing the velocity tangent to the constraint manifold and the forces resulting from imposition of the constraint on the dynamics. Simulations of these constrained systems must solve these saddle point problems, which are often ill-conditioned and require clever preconditioning in order to facilitate large scale simulation using iterative methods like GMRES. In this work, we show that the projected conjugate gradient (PrCG) method, which applies conjugate gradients projected onto the tangent space of the constraint manifold, has certain advantages compared to preconditioned iterative methods like GMRES, without the need to devise and compute a preconditioner. Specifically, for simulations of beads interacting hydrodynamically with commonly encountered holonomic constraints, PrCG exhibits linear scaling with the number of beads similar to GMRES. However, because PrCG does not require a preconditioner it often requires less precomputational effort both in terms of computational complexity and storage, depending on the nature of the constraints. Furthermore, PrCG produces iterates which are always feasible, allowing for independent tuning of the error tolerance on the bead velocities from the error tolerance on the constraint equations. We demonstrate PrCG's efficiency by solving several example low Reynolds number systems involving rigid bodies, freely jointed chains, and immobile particles, as well as a mixed constraint problem with both a rigid body and immobile particles, comparing to GMRES and analytical solutions, when available.

Prediction of plugging formulation based on PSO‐BP optimization neural network

AbstractIn the context of drilling operations, the study investigated the ability of a combination of rigid mineral particles and composite plugging agents to seal simulated cracks effectively. The study used a neural network model to predict the outcomes of experiments using this combination, based on data collected during the research. Initially, a backpropagation (BP) neural network was used to establish the prediction model, which was later optimized using the particle swarm optimization (PSO) algorithm to improve its accuracy, stability, and learning abilities. As a result, the optimized prediction model was found to be capable of providing accurate and compliant drilling plugging formulas quickly. This feature helped guide targeted formula experiments and significantly reduced experimental time and costs. In five practices in a well area in the southern Sichuan region of China, the application success rate was as high as 60%, and the time spent on plugging was reduced by an average of 36%. Overall, this study contributes to the development of effective and efficient drilling techniques, which are essential in the exploration and production of hydrocarbon resources.

Deformation characteristics and creep behaviour of rigid particulates-EPS beads composites

The compression behaviour of the mixture of glass beads (representing rigid particles) and EPS beads (representing deformable particles) during the loading-unloading process is systematically examined through performing two sets of large-size oedometer experiments, including incremental step-by-step and one-step loading scenarios. At each step during the loading-unloading cycle, the void ratio (e) and the at-rest coefficient of lateral earth pressure (K0) are measured for pure rigid samples and rigid-soft particle mixtures. To consider the creep effect, the overburden pressure at the final loading step is maintained on the sample for 24 h prior to unloading. The results show that at a given overburden pressure, with the addition of soft particles to the pure rigid aggregates, the values of e and K0 decrease. Additionally, for both pure rigid samples and rigid-soft particle mixtures, with increasing the overburden pressure, e decreases whereas K0 augments. Moreover, due to the creep behaviour during the constant loading step, K0 decreases over time for both samples; a phenomenon which is observed to be more pronounced for pure rigid aggregates compared to rigid-soft particle mixtures. Finally, a well-established creep model is used to simulate the creep behaviour of pure rigid samples and rigid-soft particle composites.

Electrophoresis of a weakly charged dielectric fluid droplet in a cylindrical pore.

Electrophoresis of a weakly charged dielectric droplet with constant surface charge density in a chargeless cylindrical pore is investigated theoretically in this study, focusing on the boundary confinement effect of the double layer, which in turn determines the ultimate motion of the droplet. A patched pseudo-spectral method based on the Chebyshev polynomial is adopted to solve the resulting governing fundamental electrokinetic equations. Mobility reversal, among other interesting phenomena, is observed when the droplet is in a narrow cylindrical pore. No such observation was made in the corresponding motion of a rigid particle. The droplet with a thick double layer may even move against the prediction based on the Coulomb electrostatic law, for instance, a positively charged droplet may move against the electric field. The significant enhancement of the motion-deterring double layer polarization due to the severe steric boundary confinement within a narrow cylindrical pore is found to be responsible for this seemingly peculiar phenomenon. Moreover, smaller droplets may move in the opposite direction of the larger ones. The results are useful in capillary electrophoresis involving droplets in particular and migration of droplets through narrow channels in general.

Trapping of deformable active particles by a periodic background potential.

The dynamic behaviors, specifically trapping and sorting, of active particles interacting with periodic substrates have garnered significant attention. This study investigates numerically the trapping of soft, deformable particles on a periodic potential substrate, which can be experimentally verified through optical tweezers. The research demonstrates that multiple factors, including the relative size of traps, self-propelled velocity, shape parameters, ratio of particles to traps, and translational diffusion, can influence the trapping effect. Within certain parameter boundaries, it is shown that all particles can be consistently trapped. The research reveals that stable trapping typically occurs at median values of the relative trap size. An increase in the self-propelled velocity, the shape parameter, and the translational diffusion coefficient tends to facilitate the escapement of the particles from the traps. It is noteworthy that particles with larger shape parameters can escape even when the restoring force exceeds the self-propelled force. In addition, as the ratio of particles to traps grows, the fraction of trapped particles steadily reduces. Notably, rigid particles are consistently divided and trapped by traps closely approximating an integer multiple of the particles' area, up until the ratio reaches the aforesaid integer value. These findings can potentially enhance the understanding of the interactive effects between active deformable particles and periodic substrates. Moreover, this work suggests a different experimental approach to sort active particles based on rigidity disparities.

English translation of Giesekus's famous article on flows with constant velocity gradient and the motion of particles suspended therein. Part I. Spatial flows

Within the framework of a statistical rheology of suspensions, emulsions, and solutions, it is important to obtain an overview of the total set of flows with a constant velocity gradient. Therefore, the solutions of the differential equations of such flows are given and discussed especially with respect to the influence of the deformation and rotation parts of the velocity gradient. Subsequently, the motion of rigid particles in these flows is analyzed. Both the flow types themselves and the types of motion of the suspended particles can be divided into two broad classes. Among those with predominant deformation influence, we have hyperbolic–parabolic flows as well as a setting of the particles in fixed directions. Among those with predominant rotational influence, we have elliptical–spiral flows as well as a non-uniform orbital motion of the particles. The change from one place of motion to the other depends not only on the shape of the flow but also on the shape of the particles. Deformation becomes stronger as the form anisotropy of the particles increase.

Direct numerical simulations of suspension of disk-shaped particles

This study investigates the dynamics of disk-shaped particles using direct numerical simulations with the smoothed profile method for rigid particles. These disk-shaped particles are formed by joining the spherical beads and are allowed to settle/sediment in a Newtonian fluid. The concentration effects of the mono-dispersed particles are studied in the Stokes regime, varying the volume fraction (ϕ) from 0.0003 to 0.1. Strong inhomogeneities in the system were noticed, producing multiple peaks in the radial distribution function caused by the orientation preference of particles, while settling. A histogram analysis of the particles' orientation angle suggests that particles prefer horizontal orientation at very low volume fractions and then start orienting vertically with subsequent increase in the volume fraction. Average settling velocity increases initially till volume fraction 0.001, creating a local maxima, and then decreases monotonically following the Richardson–Zaki law. It was also found that velocity fluctuations increased with increasing volume fraction, following the ϕ1/3 trend. These fluctuations are smaller than those of rod-like particles and larger than spherical particles, though the qualitative trend is quite similar.