Maximum Packing Research Articles

Utilization of waste phosphogypsum in high-strength geopolymer concrete: Performance optimization and mechanistic exploration

Phosphogypsum (PG) is an industrial waste produced during the manufacture of phosphoric acid. In this study, dihydrate phosphogypsum (DPG), ground granulated blast furnace slag (GGBFS), fly ash (FA), Portland cement clinker (PCC), sulfate alumina cement clinker (SACC), water reducer, sand, and stone were combined to create a phosphogypsum-based geopolymer (PBG) concrete. Concrete mix design was carried out based on the principle of maximum packing density, and the effects of water reducer type, sand ratio, water-to-binder ratio, and DPG content on PBG concrete properties were investigated. Results indicated that compared to SiKa ViscoCrete 540P (SVC 540P) water reducer, Melflux PLUS 1087L (MP1087L) significantly enhanced the performance of PBG concrete. With a water-to-binder ratio of 0.34, a sand ratio of 32.2 %, and a PG:GGBFS:FA ratio of 5:4:1, the 28-day unconfined compressive strength (UCS) of the concrete exceeded 60 MPa. The concrete primarily consisted of phases such as dihydrate gypsum (CaSO4·2H2O), ettringite (Ca6(Al(OH)6)2(SO4)3(H2O)26), polymer (-Si-O-Al-), quartz (SiO2), albite (Na(AlSi3O8)) and Muscovite ((K,Na)Al2(Si,Al)4O10(OH)2). Using two mild alkalis as activators, PBG concrete can avoid the efflorescence often associated with geopolymer preparation and can cure at 20 °C. PBG concrete offers high strength, ease of preparation, and environmental benefits, providing a new avenue for the reuse of PG.

Adsorption and evolution of N2 molecules over ZnO monolayer: a combined DFT and kinetic Monte-Carlo insight

A large surface area, wide band gap, and unique bonding property between Zn and O atoms make the hexagonal ZnO monolayer attractive as a gas sensor. In the present work, the adsorption and evolution of nitrogen (N2) molecules over a ZnO monolayer have been studied using two different theoretical methods: van der Waals density functional theory (vdW-DFT) and kinetic Monte-Carlo (kMC) simulation. The adsorption and diffusion (hopping over the surface) energy of a N2 gas molecule has been calculated considering the different sites over the ZnO substrate using the revPBE-vdW functional. Bader charge, electron localization function analysis, density of states and band structure plotting have been used to understand the adsorption mechanism. Lateral repulsive interaction between two N2 molecules limits the maximum packing number of gas molecules within one hexagonal ring. The output of the vdW-DFT calculation has been fed to the kMC code to predict the rate of adsorption, desorption, and diffusion, along with the overall surface coverage at different temperatures and pressures. Finally, the change in the N2 adsorption energy has been predicted with the increase of the ZnO layer number.

Enhancing structural strength and microwave dielectric properties of the Ba4(Sm1-xCex)9.33Ti18O54 ceramics

Herein, microwave dielectric ceramics of the Ba4Sm9.33Ti18O54 ceramics are substituted at A sites by partially replacing Sm at A1 sites with Ce, and the effects of ionic substitution at A sites on ceramic crystal structure and microwave dielectric properties are investigated. The Ba4(Sm1-xCex)9.33Ti18O54 (BSCT) ceramics prepared through the solid phase method has a typical tungsten–bronze structure, and its lattice spacing increases gradually with the increase in Ce content x. This increase is reflected in the increase in the cell volume and growth of ceramic grains. However, the excess Ce after Ce content exceeds 0.25 leads to the growth of ceramic grains and increase in porosity between grains, which in turn increases the dielectric loss of the ceramic. Under optimal sintering conditions, the ceramic crystal has a maximum atomic packing density of x = 0.25, which corresponds to its most stable structural properties, and the highest Q × f value of 9013 GHz. Raman spectroscopy results indicate that in titanium oxygen octahedrons, an increase in Ce substitution can effectively weaken the bending and tensile vibration intensities of titanium oxygen bonds, further enhancing structural strength.

Rheology of flexible fiber-reinforced cement pastes: Maximum packing fraction determination and structural build-up analysis

The maximum packing fraction (φfm) of flexible fibers is an essential parameter for understanding the rheological behavior of flexible fiber-reinforced cement paste (FFRCP). However, direct measurement of φfm of flexible fibers is still lacking. In this study, a shear rheology-based method for direct measurement of φfm was proposed and the assumption of fiber conformation under shear was verified by micro-CT. Based on this, a yield stress model for FFRCP was constructed to explain the entanglement and friction effects in the fiber network. Finally, static yield stress tests and small amplitude oscillatory shear (SAOS) tests were carried out to explore the structural build-up of FFRCP. It was found that the proposed method enables direct determination of φfm through only a few viscosity-fiber content data for a given FFRCP. Furthermore, the proposed model can describe the static yield stress of FFRCP well. Finally, the relative structural build-up rate of FFRCP follows a similar trend as the relative yield stress, with a critical relative fiber volume fraction (0.299) as the boundary. Subsequently, the relative structural build-up gradually deviates from the relative yield stress due to the limiting effect of the fibers.

Packing properties assessment of cement and alternative powders: Artefacts and protocols

This paper introduces three major recommendations for the assessment of the maximum packing fraction of mineral powders through compressive rheology. First, our results show that a minimum compressive stress is required for the measured solid volume fraction to tend towards a constant jamming fraction. Second, we show that the modification of the particles surface properties, especially their friction coefficient, by polymer adsorption, allows for this jamming fraction to get closer to the particle maximum packing fraction. Finally, we show that a minimal value of the initial solid volume fraction of a sample is necessary to prevent particle size separation during testing. We moreover show that the measured jamming fraction depends on the initial solid volume fraction of cement-based samples. We suggest that such a peculiar behavior finds its origin in the dependency of early hydrates volume or morphology on the initial supersaturation.

Impact of the feed particle size distribution and its packing characteristics on compression comminution

Due to its lower energy consumption than a conventional grinding circuit, there is an increased interest in the mining industry in the High-Pressure Grinding Rolls (HPGR) technology. Despite the benefits, the high quantity of material required to size the HPGR makes it difficult for new mines to consider this technology. The piston press test has been used at The University of British Columbia to predict the behavior of the HPGR. It is possible to predict energy requirements, size reduction, and throughput by utilizing a small amount of material to size the HPGR. The bulk material’s particle size distribution (PSD) plays an important role in how the particle bed will pack. This study investigates the differences in compressing three different sample PSDs obtained from the same copper ore crushed to −12.5 mm. The first PSD corresponds to the natural distribution resulting from the crusher. The second is created artificially to match the Fuller curve PSD, which theoretically should have the highest packing density. The third corresponds to a truncated feed produced by removing the fines (−300μm) from the natural feed. Tests were performed using a piston-and-die press test apparatus to compress the samples at different force levels. Entirely different behaviors are obtained while compressing the same material with different PSDs. Particularly, the Fuller curve PSD achieves a 31%–40% higher grinding rate than the natural feed, while the truncated feed achieves a 9%–30% higher grinding rate than the natural feed. Differences in the specific energy consumption, grinding efficiency, and final compacted densities highlight the critical influence of feed particle size distribution on the energy usage and generation of fine particles, underscoring the importance of optimizing these parameters for energy-efficient mineral processing. The overall findings indicate that an HPGR feed particle size distribution that matches the Fuller curve and, therefore, has a maximum packing density, results in the most energy-efficient comminution.

Role of the constriction angle on the clogging by bridging of suspensions of particles

Confined flows of particles can lead to clogging, and therefore failure, of various fluidic systems across many applications. As a result, design guidelines need to be developed to ensure that clogging is prevented or at least delayed. In this Letter, we investigate the influence of the angle of reduction in the cross section of the channel on the bridging of semidilute and dense non-Brownian suspensions of spherical particles. We observe a decrease of the clogging probability with the reduction of the constriction angle. This effect is more pronounced for dense suspensions close to the maximum packing fraction where particles are in contact in contrast to semidilute suspensions. We rationalize this difference in terms of arch selection. We describe the role of the constriction angle and the flow profile, providing insights into the distinct behavior of semidilute and dense suspensions. Published by the American Physical Society 2024

An Improved Artificial Electric Field Algorithm for Determining the Maximum Length of Gravel Packing in Deep-Water Horizontal Well

Gravel packing in deep-water horizontal wells is an effective and practical sand control method, which is a key technical method to ensure efficient exploitation of deep-water oil and gas. To ensure the successful implementation of gravel packing in deep water horizontal wells, it is crucial to carry out effective optimization design of packing parameters. This paper proposes a novel optimization design approach for gravel packing in deep-water horizontal wells. In the proposed approach, an optimization model is proposed for gravel packing in deep-water horizontal wells, in which the gravel packing length is regarded as the objective function. Then, an improved artificial electric field algorithm (IAEFA) is introduced for optimizing the key gravel packing parameters so as to determine the maximum gravel packing length. For a specific case study, we conducted optimization calculations for gravel packing in a deep-water horizontal well. Results of the case study demonstrate that the optimization design approach based on the IAEFA algorithm can effectively address the parameter optimization problem of deep-water horizontal well gravel packing. For the target well of the case study, the maximum packing length obtained by the IAEFA algorithm could reach 1000.22 m, and the corresponding 3 sets of optimal packing parameters were also obtained. In the scenario of optimal packing parameters, the total time of gravel packing in target well is 566.6 min, and the total amount of sand consumption is 54,050.94 lbs. The bottom hole pressure during the injection stage remains stable with about 9780 psi, then slowly rises from 9788 psi to 9837 psi in the α-wave packing stage, and rapidly increases from 9837 psi to 9986 psi in the β-wave packing stage. The proposed approach provides an efficient and practical optimization tool for the optimal design of gravel packing in deep water horizontal wells.

Characteristics of shungite particles of different fractional composition and design of compositions of particulate-filled polymer composite materials with different types of structures

The paper presents the results of studies of technological properties (bulk and true density, particle size of the general fraction, particle size distribution, packing coefficient and maximum packing degree of filler particles, etc.) of shungite particles of different batches produced by LLC Nadvoitsky TDM Plant LLC (Karelia, RF).For the first time for shungite particles of different sizes the values of packing density (kуп) and maximum content of dispersed phase (φm) in DFPCM were determined, which allows to calculate generalized and reduced structure parameters, to carry out classification by structural principle and to design compositions of high-tech polymer composites with given properties.Practically all possible compositions of DFPCM with shungite particles of different sizes and different types of disperse structure are presented.

Spontaneous Photonic Jammed Packing of Core-Shell Colloids in Conductive Aqueous Inks for Non-Iridescent Structural Coloration.

Integrating structural colors and conductivity into aqueous inks has the potential to revolutionize wearable electronics, providing flexibility, sustainability, and artistic appeal to electronic components. This study aims to introduce bioinspired color engineering to conductive aqueous inks. Our self-assembly approach involves mixing poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) with sulfonic acid-modified polystyrene (sPS) colloids to generate non-iridescent structural colors in the inks. This spontaneous structural coloration occurs because PEDOT:PSS and sPS colloids can self-assemble into core-shell structures and reversibly cluster into photonic aggregates of maximally random jammed packing within the aqueous environment, as demonstrated by small-angle X-ray scattering. Dissipative particle dynamics simulation confirms that the self-assembly aggregation of PEDOT:PSS chains and sPS colloids can be manipulated by the polymer-colloid interactions. Utilizing the finite-difference time-domain method, we demonstrate that the photonic aggregates of the core-shell colloids achieve close to maximum jammed packing, making them suitable for producing vivid structural colors. These versatile conductive inks offer adjustable color saturation and conductivity, with conductivity levels reaching 36 S cm-1 through the addition of polyethylene glycol oligomer, while enhanced water resistance and mechanical stability are achieved by doping with a cross-linker, poly(ethylene glycol) diglycidyl ether. With these unique features, the inks can create flexible, patterned circuits through processes like coating, writing, and dyeing on large areas, providing eco-friendly, visually appealing colors for customizable, stylish, comfortable, and wearable electronic devices.

Crystal Resorption as a Driver for Mush Maturation: an Experimental Investigation

Abstract The thermal state of a magma reservoir controls its physical and rheological properties: at storage temperatures close to the liquidus, magmas are dominated by melt and therefore mobile, while at lower temperatures, magmas are stored as a rheologically locked crystal network with interstitial melt (crystal mush). Throughout the lifetime of a magmatic system, temperature fluctuations drive transitions between mush-dominated and melt-dominated conditions. For example, magma underplating or magma recharge into a crystal mush supplies heat, leading to mush disaggregation and an increase in melt fraction via crystal resorption, before subsequent cooling reinstates a crystal mush via crystal accumulation and recrystallisation. Here, we examine the textural effects of such temperature-driven mush reprocessing cycles on the crystal cargo. We conducted high-P-T resorption experiments during which we nucleated, grew, resorbed, and recrystallised plagioclase crystals in a rhyolitic melt, imposing temperature fluctuations typical for plumbing systems in intermediate arc volcanoes (20–40 °C). The experiments reproduce common resorption textures and show that plagioclase dissolution irreversibly reduces 3D crystal aspect ratios, leading to more equant shapes. Comparison of our experimental results with morphologies of resorbed and unresorbed plagioclase crystals from Mount St. Helens (MSH) (USA) reveals a consistent trend in natural rocks: unresorbed plagioclase crystals (found in MSH dacite, basalt and quenched magmatic inclusions [QMIs]) have tabular shapes, while plagioclase crystals with one or more resorption horizons (found in MSH dacite, QMIs, and mush inclusions) show more equant shapes. Plagioclase crystals showing pervasive resorption (found in the dacite and mush inclusions) have even lower aspect ratios. We therefore suggest that crystal mush maturation results in progressively more equant crystal shapes: the shapes of plagioclase crystals in a magma reservoir will become less tabular every time they are remobilised and resorbed. This has implications for magma rheology and, ultimately, eruptibility, as crystal shape controls the maximum packing fraction and permeability of a crystal mush. We hypothesise that a mature mush with more equant crystals due to multiple resorption–recrystallisation events will be more readily remobilised than an immature mush comprising unresorbed, tabular crystals. This implies that volcanic behaviour and pre-eruptive magmatic timescales may vary systematically during thermal maturation of a crustal magmatic system, with large eruptions due to rapid wholesale remobilisation of mushy reservoirs being more likely in thermally mature systems.

From Hard to Soft Dense Sphere Packings: The Cohesive Energy of Barlow Structures Using Exact Lattice Summations for a General Lennard-Jones Potential.

There are infinitely many distinguishable dense sphere packings in dimension three (Barlow structures) with maximum packing density of ρ = π/√18. While Hales [Hales, T. C. Ann. Math. 2005, 162, 1065-1185.] proved that the packing density of the most dense cubic packing cannot be surpassed, it is currently not known how the infinite possibilities of densely packed Barlow structures with different sequences of hexagonal close packed layers are energetically related compared to the well-known face centered cubic (fcc) and hexagonal close packed (hcp) structures. We demonstrate that, for a general Lennard-Jones potential, which includes the hard-sphere model as a limiting case, Barlow packings lie energetically between fcc and hcp. Exceptions to this energy sequence only occur when fcc and hcp are energetically quasi-degenerate.

Ionic liquid–electrode interface: Classification of ions, saturation of layers, and structure-determined potentials

Progress in electrochemical applications of ionic liquids builds on an understanding of electrical double layer. This computational study focuses on structure-determined quantities – maximum packing density, potentials, and capacitances – evaluated using a one-electrode electrical double layer model. Interfaces of the 40 studied ions are grouped into four distinct classes according to their characteristic packing at the model surface. The simulations suggest that the exact screening by a monolayer of counter-ions (preceding the crowding of ions) is unlikely for ions in known air- and water-stable ionic liquids within their electrochemical stability window. This work discusses how the assessed structure-determined quantities can guide the experimental tuning of (electro/mechano)chemical properties and characterize the structure of ionic liquid–electrode interfaces.

Electrokinetic properties of NaCl solution via molecular dynamics simulations with scaled-charge electrolytes.

Scaling ionic charges has become an alternative to polarizable force fields for representing indirect charge transfer effects in molecular simulations. In our work, we apply molecular dynamics simulations to investigate the properties of NaCl aqueous solutions in homogeneous and confined media. We compare classical integer- and scaled-charge force fields for the ions. In the bulk, we validate the force fields by computing equilibrium and transport properties and comparing them with experimental data. Integer-charge ions overestimate dielectric saturation and ionic association. Both force fields present an excess in ion-ion correlation, which leads to a deviation in the ionic conductivity at higher ionic strengths. Negatively charged quartz is used to simulate the confinement effect. Electrostatic interactions dominate counter-ion adsorption. Full-charge ions have stronger and more defined adsorption planes. We obtain the electroosmotic mobility of the solution by combining the shear plane location from non-equilibrium simulations with the ionic distribution from equilibrium simulations. From the Helmholtz-Smoluchowski equation, the zeta potential and the streaming potential coupling coefficient are computed. From an atomic-scale perspective, our molecular dynamics simulations corroborate the hypothesis of maximum packing of the Stern layer, which results in a stable and non-zero zeta potential at high salinity. The scaled-charge model representation of both properties is in excellent qualitative and quantitative agreement with experimental data. With our work, we demonstrate how useful and precise simple scaled-charge models for electrolytes can be to represent complex systems, such as the electrical double layer.

Searching for the maximal packing fraction of hard disks confined by a circular cavity through replica exchange/event-chain Monte Carlo.

We utilized a blend of replica exchange and event-chain Monte Carlo techniques to generate candidate configurations, aiming for a maximal packing fraction of hard disks within a circular enclosure. Our investigation encompassed systems comprising N particles, with N ranging from 300 to 720. Through our analysis, we identified 108 novel maximal packings, with some surpassing existing configurations by over 0.001 in packing fraction. As such, Monte Carlo methods demonstrate their efficacy in tackling optimization challenges of this nature.

Construction Composites Based on Secondary Thermoplastics and Manufacturing Waste

Abstract The paper presents current trends in the development of environmentally friendly building composite materials. The choice of thermoplastic polymer binder and natural plant-based fillers is substantiated. Highly filled composites based on secondary polypropylene and natural plant fillers have been developed: wood flour; coniferous flour; buckwheat husks; oat husks. Their main physical and mechanical properties, such as impact strength and flexural strength, have been studied. Experimental research has revealed that, in addition to traditional fillers like wood flour and coniferous flour, it is more relevant to use by-products of agro-industrial complexes in the form of buckwheat husks and oat husks. These technological waste products of agro-industrial complexes are quite widespread in Ukraine and are widely available in almost all regions of the country. However, their disposal is usually challenging. For the first time, the influence of the fractional composition of plant fillers in polymeric composites based on secondary polypropylene on the main physical and mechanical properties has been studied. It has been clarified that the developed composites with polyfractional compositions of plant fillers exhibit higher indicators. The high performance of the composites is achieved due to the maximum packing density of natural fillers in the polymer matrix.

Repacking in Compacting Mushes at Intermediate Melt Fractions: Constraints From Numerical Modeling and Phase Separation Experiments on Granular Media

AbstractBefore large volumes of crystal poor rhyolites are mobilized as melt, they are extracted through the reduction of pore space within their corresponding crystal matrix (compaction). Petrological and mechanical models suggest that a significant fraction of this process occurs at intermediate melt fractions (ca. 0.3–0.6). The timescales associated with such extraction processes have important ramifications for volcanic hazards. However, it remains unclear how melt is redistributed at the grain‐scale and whether using continuum scale models for compaction is suitable to estimate extraction timescales at these melt fractions. To explore these issues, we develop and apply a two‐phase continuum model of compaction to two suites of analog phase separation experiments—one conducted at low and the other at high temperatures, T, and pressures, P. We characterize the ability of the crystal matrix to resist porosity change using parameterizations of granular phenomena and find that repacking explains both data sets well. A transition between compaction by repacking to melt‐enhanced grain boundary diffusion‐controlled creep near the maximum packing fraction of the mush may explain the difference in compaction rates inferred from high T + P experiments and measured in previous deformation experiments. When upscaling results to magmatic systems at intermediate melt fractions, repacking may provide an efficient mechanism to redistribute melt. Finally, outside nearly instantaneous force chain disruption events occasionally recorded in the low T + P experiments, melt loss is continuous, and two‐phase dynamics can be solved at the continuum scale with an effective matrix viscosity.

A deterministic approximation algorithm for metric triangle packing

Given an edge-weighted metric complete graph with n vertices, the maximum weight metric triangle packing problem is to find a set of n/3 vertex-disjoint triangles with the total weight of all triangles in the packing maximized. Several simple methods can lead to a 2/3-approximation ratio. However, this barrier is not easy to break. Chen et al. proposed a randomized approximation algorithm with an expected ratio of (0.66768−ε) for any constant ε>0. In this paper, we improve the approximation ratio to (0.66835−ε). Furthermore, we can derandomize our algorithm.

DEVELOPMENT OF DRY MIX MORTARS FOR FLOOR ELEMENTS

Dry mix mortars are widely used in construction projects for the implementation of construction works in new construction, reconstruction, and repair. The improvement of properties of dry mix mortars for the installation of floor screeds is relevant. The purpose of such mortars is to equalize the differences in the thickness of the floor surface, to create an intermediate layer characterized by the necessary strength, durability, and even surface with the possibility of decoration with various types of flooring. A step-by-step design of the composition of dry mix mortar for the installation of floor screeds was carried out. The ratio of fine aggregates and limestone filler was optimized according to the maximum packing density criterion, the required amount of plasticizer was selected according to the consistency index of the fresh mortar, and the minimum amount of Portland cement was selected to ensure the required strength.

Exploration of improved, roller-based spreading strategies for cohesive powders in additive manufacturing via coupled DEM-FEM simulations

Spreading of fine (D50 ≤20μm) powders into thin layers, such as required by layer-wise additive manufacturing (AM) processes, typically requires a mechanism such as a roller that provides adequate shear and compression to overcome the cohesive forces between particles. We explore improved, roller-based spreading strategies for highly cohesive powders using an integrated discrete element-finite element (DEM-FEM) framework. We find that optimal roller-based spreading, quantified by maximum packing density and uniformity of layer thickness, relies on a combination of surface friction of the roller and roller kinematics, e.g., counter-rotation or angular oscillation, that impart sufficient kinetic energy to break cohesive bonds between powder particles. However, excess rotation speed (or shear stress) can impart excessive kinetic energy to the powder causing ejection of particles and a non-uniform layer, suggesting the existence of a process window of optimal spreading parameters. Interestingly, the identified optimal parameters for both investigated roller kinematics, i.e., angular velocity for counter-rotation as well as angular frequency and amplitude for rotational oscillation, result in a very similar range of roller surface velocities, suggesting roller surface velocity as the critical kinematic parameter. When these conditions are chosen appropriately, layers with packing fractions beyond 50% are predicted for layer thicknesses as small as ∼2 times D90 of the exemplary cohesive powder, and the layer quality is robust with respect to substrate adhesion over a 10-fold range. The latter is an important consideration given the spatially varying substrate conditions in AM due to the combination of fused/bound and bare powder regions. As compared to counter-rotation, the proposed rotational oscillation kinematics are particularly attractive because they can overcome practical issues with mechanical runout of roller mechanisms (which limit their precision).