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At least 91 records · Page 5

Machine learning methods for particle stress development in suspension Poiseuille flows

Numerical simulations are used to study the dynamics of a developing suspension Poiseuille flow with monodispersed and bidispersed neutrally buoyant particles in a planar channel, and machine learning is applied to learn the evolving stresses of the developing suspension. The particle stresses and pressure develop on a slower time scale than the volume fraction, indicating that once the particles reach a steady volume fraction profile, they rearrange to minimize the contact pressure on each particle. Here we consider how the stress development leads to particle migration, time scales for stress development, and present a new physics-informed Galerkin neural network that allows for learning the particle stresses when direct measurements are not possible. The particle fluxes are compared with the Suspension Balance Model with good agreement. We show that when stress measurements are possible, the MOR-physics operator learning method can also capture the particle stresses.

97 MATHEMATICS AND COMPUTING↗

Microspheres for laser velocimetry in high temperature wind tunnel

The introduction of non-intrusive measurement techniques in wind tunnel experimentation has been a turning point in error free data acquisition. Laser velocimetry has been progressively implemented and utilized in various wind tunnels; e.g. subsonic, transonic, and supersonic. The success of the laser velocimeter technique is based on an accurate measurement of scattered light by seeding particles introduced into the flow stream in the wind tunnel. Therefore, application of appropriate seeding particles will affect, to a large extent the acquired data. The seeding material used depends on the type of experiment being run. Among the seeding material for subsonic tunnel are kerosene, Kaolin, and polystyrene. Polystyrene is known to be the best because of being solid particles, having high index of refraction, capable of being made both spherical and monodisperse. However for high temperature wind tunnel testing seeding material must have an additional characteristic that is high melting point. Typically metal oxide powders such as Al2O3 with melting point 3660 F are used. The metal oxides are, however polydispersed, have a high density, and a tendency to form large agglomerate that does not closely follow the flow velocity. The addition of flame phase silica to metal oxide helps to break up the agglomerates, yet still results in a narrow band of polydispersed seeding. The less desirable utility of metal oxide in high temperature wind tunnels necessitates the search for a better alternative particle seeding which this paper addresses. The Laser Velocimetry (LV) characteristic of polystyrene makes it a prime candidate as a base material in achieving the high temperature particle seeding inexpensively. While polystyrene monodisperse seeding particle reported has been successful in a subsonic wind tunnel, it lacks the high melting point and thus is not practically usable in a high temperature wind tunnel. It is well known that rise in melting point of polystyrene can be achieved by a cross-linking technique. Since polystyrene already possesses all the desired characteristics for LV, to circumvent the low melting point, a cross-linking technique was investigated.

Ghorieshi, Anthony↗

Polarization and dynamic phases of aligning active matter in periodic obstacle arrays

Here, we numerically examine a system of monodisperse self-propelled particles interacting with each other via simple steric forces and aligning torques moving through a periodic array of obstacles. Without obstacles, this system shows a transition to a polarized or aligned state for critical alignment parameters. In the presence of obstacles, there is still a polarization transition, but for dense enough arrays, the polarization is locked to the symmetry directions of the substrate. When the obstacle array is made anisotropic, at low densities the particles can form a quasi-isotropic state where the system can be polarized in any of the dominant symmetry directions. For intermediate anisotropy, the particles self-organize into a coherent lane state with one-dimensional polarization. In this phase, a small number of highly packed lanes are adjacent to less dense lanes that have the same polarization, but lanes further away can have the opposite polarization, so that global polarization is lost. For the highest anisotropy, hopping between lanes is suppressed, and the system forms uniformly dense uncoupled but polarized lanes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Progress Report on Model Development for Aerosol Transport through Divergent Cracks Paths

This report summarizes the progress in developing a phenomenological model of aerosol transport, deposition, and plugging through microchannels. The purpose of this effort is to introduce to a user community—involving researchers, regulators, and industry—a generic, reliable numerical model for the prediction of aerosol transport while accounting for potential deposition and plugging of the leak paths to model spent nuclear fuel (SNF) release from postulated Stress Corrosion Cracks in canisters under storage or transportation. Current work focuses on expanding the model to predict aerosol (and gas) flow through complex microchannel (nozzle) geometries in addition to the rectangular and cylindrical geometries, as we approach more realistic Stress Corrosion Crack conditions. In this regard, a divergent nozzle geometry, used at Sandia National Laboratories (SNL) for testing aerosol release and retention (Durbin et al. 2021), was added to the model. The model was then validated with blowdown data for the particular microchannel, from experiments conducted at SNL. The report also presents preliminary non-benchmarked aerosol penetration fraction and mass flow rate for a monodisperse 10-micron (AED) particle concentration of 1.7e-08 kg/m 3 being released through the divergent microchannel geometry from the SNL’s aerosol experimental tank setup.Future work will involve validating the aerosol model and updating the model’s Graphical User Interface (GUI) to include the divergent nozzle geometry. This is expected to help stakeholders perform quick and easy first principles calculations without needing to understand the underlying MATLAB script.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Theory of Dust Voids in Plasmas

Dusty plasmas in a gas discharge often feature a stable void, i.e., a dust-free region inside the dust cloud. This occurs under conditions relevant to both plasma processing discharges and plasma crystal experiments. The void results from a balance of the electrostatic and ion drag forces on a dust particle. The ion drag force is driven by a flow of ions outward from an ionization source and toward the surrounding dust cloud, which has a negative space charge. In equilibrium the force balance for dust particles requires that the boundary with the dust cloud be sharp, provided that the particles are cold and monodispersive. Numerical solutions of the one-dimensional nonlinear fluid equations are carried out including dust charging and dust-neutral collisions, but not ion-neutral collisions. The regions of parameter space that allow stable void equilibria are identified. There is a minimum ionization rate that can sustain a void. Spatial profiles of plasma parameters in the void are reported. In the absence of ion-neutral collisions, the ion flow enters the dust cloud's edge at Mach number M = 1. Phase diagrams for expanding or contracting voids reveal a stationary point corresponding to a single stable equilibrium void size, provided the ionization rate is constant. Large voids contract and small voids expand until they attain this stationary void size. On the other hand, if the ionization rate is not constant, the void size can oscillate. Results are compared to recent laboratory and microgravity experiments.

Goree, J.↗

Unveiling Morphology and Crystallinity Dynamics in Ni x Mn 1– x CO 3 Cathode Precursors through Batch-Mode Coprecipitation

This study delves into the synthesis and control of Ni x Mn 1–x CO 3 , a critical class of Mn-rich, Co-free precursors vital for cathode-oxide materials in energy storage and conversion technologies. Employing batch-mode coprecipitation, we systematically generated samples with varying Ni concentrations (x = 0, 0.1, 0.3, 0.5, 0.7, and 0.9) and conducted a comprehensive analysis of their compositions, crystallinities, transition-metal distributions, and particle morphologies through both experimental and computational methods. A significant variation in particle size and crystallinity was observed, contingent on the Ni content. Further, a pivotal transition emerged at Ni concentrations above x = ~0.5, transforming uniform morphologies, such as spherical, monodisperse, pseudo-single-crystalline particles, into bimodal, polycrystalline structures. Furthermore, the study highlights the role of Ni–ammonia complexes leading to Ni-deficient precipitates and underscores the importance of ammonia concentration in achieving precise Ni content control. This study unveils critical reaction conditions governing Mn-rich precursor properties that are vital for cathode-oxides, emphasizing the need for meticulous synthetic control and offering the potential for practical applications in advanced energy storage and conversion systems.

25 ENERGY STORAGE↗

Sub‐5 nm Intermetallic Nanoparticles Confined in Mesoporous Silica Wells for Selective Hydrogenation of Acetylene to Ethylene

Abstract We report the synthesis and catalytic application of intermetallic PtSn nanoparticles confined in MSWs (Mesoporous Silica Wells) in the semi‐hydrogenation of acetylene. Platinum nanoparticles with a size of 2.9 nm supported on amine‐functionalized ∼180 nm silica spheres were enmeshed in a mesoporous silica shell. After the addition of tin via a polyol synthesis method, we obtained the final PtSn x @MSW (x=0.30, 0.50, 0.70, 1.0 and 2.0). Owing to the mesoporous encapsulation the sub‐5 nm bimetallic particles are shown to be monodisperse and well protected against aggregation on the silica sphere even under high‐temperature treatment conditions. In the gas phase semi‐hydrogenation of acetylene, the PtSn@MSW with Sn/Pt molar ratios equal to or greater than one displayed higher selectivity to ethylene. Meanwhile, increasing Sn content decreases acetylene conversion. The intermetallic PtSn@MSW catalysts also displayed long‐term stability and regenerability due to the confined environment provided by MSW.

Maligal‐Ganesh, Raghu V.↗

Two-Fluid and Discrete Element Modeling of a Parallel Plate Fluidized Bed Heat Exchanger for Concentrating Solar Power

A novel high-temperature particle solar receiver is developed using a light trapping planar cavity configuration. As particles fall through the cavity, the concentrated solar radiation warms the boundaries of the receiver and in turn heats the particles. Particles flow through the system, forming a fluidized bed at the lower section, leaving the system from the bottom at a constant flowrate. Air is introduced to the system as the fluidizing medium to improve particle heat transfer and mixing. A laboratory scale cavity receiver is built by collaborators at the Colorado School of Mines and their data are used for model validation. In this experimental setup, near IR quartz lamp is used to provide flux to the vertical wall of the heat exchanger. The system is modeled using the discrete element method and a continuum two-fluid method. The computational model matches the experimental system size and the particle size distribution is assumed monodisperse. A new continuum conduction model that accounts for the effects of solid concentration is implemented, and the heat flux boundary condition matches the experimental setup. Radiative heat transfer is estimated using a widely used correlation during the post-processing step to determine an overall heat transfer coefficient. The model is validated against testing data and achieves less than 30% discrepancy and a heat transfer coefficient greater than 1000 W/m2 K.

concentrating solar power↗

Multiphase Modeling in a Parallel Plate Fluidized Bed Receiver for Concentrating Solar Power

A novel high temperature particle solar receiver is developed by using a light trapping planar cavity configuration. As particles fall through the cavity, the concentrated solar radiation warms the boundaries of the receiver and in turn heats the particles. Particles flow through the system, forming a packed bed at the lower end, leaving the system from the bottom at a constant flow rate. Air is introduced to the system as the fluidizing medium to improve particle heat transfer and mixing. A laboratory scale cavity receiver is built and a near IR quartz lamp is used to provide flux to the vertical wall of the heat exchanger. The system is modeled using a continuum two-fluid method. The computational model matches the experimental system size and the particle size distribution is assumed monodisperse. A conduction model that accounts for the effects of solid concentration is implemented, and the heat flux boundary condition matches the experimental setup. Radiative heat transfer is estimated using a widely used correlation during the post-processing step to determine an overall heat transfer coefficient. The model is validated against testing data and achieves less than 30% discrepancy and a heat transfer coefficient greater than 1000 W/m2K.

CSP↗

Introducing dusty plasma particle growth of nanospherical titanium dioxide

In dusty plasma environments, spontaneous growth of nanoparticles from reactive gases has been extensively studied for over three decades, primarily focusing on hydrocarbons and silicate particles. Here, we introduce the growth of titanium dioxide, a wide bandgap semiconductor, as dusty plasma nanoparticles. The resultant particles exhibited a spherical morphology and reached a maximum monodisperse radius of 235 ± 20 nm after growing for 70 s. The particle grew linearly, and the growth displayed a cyclic behavior; that is, upon reaching their maximum radius, the largest particles fell out of the plasma, and the next growth cycle immediately followed. The particles were collected after being grown for different amounts of time and imaged using scanning electron microscopy. Further characterization was carried out using energy dispersive x-ray spectroscopy, x-ray diffraction, and Raman spectroscopy to elucidate the chemical composition and crystalline properties of the maximally sized particles. Initially, the as-grown particles exhibited an amorphous structure after 70 s. However, annealing treatments at temperatures of 400 and 800 °C induced crystallization, yielding anatase and rutile phases, respectively. Annealing at 600 °C resulted in a mixed phase of anatase and rutile. These findings open avenues for a rapid and controlled growth of titanium dioxide via dusty plasma.

Physics↗

New Empirical Formulation for the Sublimational Breakup of Graupel and Dendritic Snow

Abstract Ice fragments are generated by sublimation of ice particles in subsaturated conditions in natural clouds. Conceivably, such sublimational breakup would be expected to cause ice multiplication in natural clouds. Any fragment that survives will grow to become ice precipitation that may sublimate and fragment further. As a first step toward assessing this overlooked process, a formulation is proposed for the number of ice fragments from sublimation of ice particles for an atmospheric model. This is done by amalgamating laboratory observations from previously published studies. The concept of a “sublimated mass activity spectrum” for the breakup is applied to the dataset. The number of ice fragments is determined by the relative humidity over ice and the initial size of the parent ice particles. The new formulation applies to dendritic crystals and heavily rimed particles only. Finally, a thought experiment is performed for an idealized scenario of subsaturation with in-cloud descent. Scaling analysis yields an estimate of an ice enhancement ratio of about 5 (10) within a weak deep convective downdraft of about 2 m s −1 , for an initial monodisperse population of dendritic snow (graupel) particles of 3 L −1 and 2 mm. During descent, there is a dynamic equilibrium between continual emission of fragments and their depletion by sublimation. A simplified bin microphysics parcel model exhibits this dynamical quasi equilibrium, consistent with the thought experiment. The fragments have average lifetimes of around 90 and 70 s for dendrites and graupel, respectively. Sublimational breakup is predicted to cause significant secondary ice production.

54 ENVIRONMENTAL SCIENCES↗

Overview of solid particle LV seeding techniques used at UTRC

Due to the failure of existing seeders to meet the stringent specifications required for benchmark experiments in high pressure, high temperature, rapidly accelerating flowfields, an effort is made to improve an existing solid particle seeder. The goal is to produce a more monodisperse seed from the 0.3 micro alumina powder with more than 99 percent of the particles in the submicron range while maintaining a high seeding rate. Coiled-wire inserts are installed within the ends of the nitrogen injection lines in the primary seeder to produce swirling conical jets to vigorously agitate the seed bed. A secondary swirler, constructed from a 25 cm length of 3.8 cm ID steel pipe having threaded end caps, is connected to the output line of the primary seeder. The seeded nitrogen from the primary seeder is injected tangentially at near sonic velocity into the secondary swirler 9.4 cm above its base. Independently controlled auxiliary nitrogen used to increase the swirl in the secondary chamber is also injected tangentially 2.5 cm below the seeded nitrogen lines. Large seed particles are collected by bleeds in the swirler cap and directed overboard. The remaining seeded nitrogen is collected on the center line of the secondary swirler and ducted to the rig.

Patrick, W. P.↗

Machine-learning-informed scattering correlation analysis of sheared colloids

We have carried out theoretical analysis, Monte Carlo simulations and machine-learning analysis to quantify microscopic rearrangements of dilute dispersions of spherical colloidal particles from coherent scattering intensity. Both monodisperse and polydisperse dispersions of colloids were created and underwent a rearrangement consisting of an affine simple shear and non-affine rearrangement using the Monte Carlo method. We calculated the coherent scattering intensity of the dispersions and the correlation function of intensity before and after the rearrangement and generated a large data set of angular correlation functions for varying system parameters, including number density, polydispersity, shear strain and non-affine rearrangement. Singular value decomposition of the data set shows the feasibility of machine-learning inversion from the correlation function for the polydispersity, shear strain and non-affine rearrangement using only three parameters. A Gaussian process regressor is then trained on the data set and can retrieve the affine shear strain, non-affine rearrangement and polydispersity with relative errors of 3%, 1% and 6%, respectively. Altogether, our model provides a framework for quantitative studies of both steady and non-steady microscopic dynamics of colloidal dispersions using coherent scattering methods.

Gaussian process regression↗

A kinetic study of the interaction between atomic oxygen and aerosols

This study was concerned with the effects of NH4Cl and (NH4)2SO4 aerosols on the kinetics of disappearance of atomic oxygen. Atomic oxygen was generated by a 2.45-GHz microwave discharge and the kinetics of disappearance measured in a fast flow system using NO2 titration. Values of the recombination coefficient for heterogeneous wall recombination were determined for clean, H2SO4-coated, and (NH4)2SO4-coated Pyrex to be 0.000050, 0.000020, and 0.000019, respectively. A rapid exothermic chemical reaction was found to occur between atomic oxygen and an NH4Cl wall coating; the products were NH3, NO, H2O, and HCl. The NH4Cl aerosol was generated by gas phase reaction of NH3 with HCl. The aerosol particles were approximately spherical and nearly monodisperse with a mean diameter of 1.6 plus or minus 0.2 micron. The rate constant for the disappearance of atomic oxygen in the presence of NH4Cl aerosol was measured. No significant decrease was observed in the rate of disappearance of atomic oxygen in the presence of an (NH4)2SO4 aerosol at a concentration of 285 mg per cu m.

Akers, F. I.↗

Facet-dependent dispersion and aggregation of aqueous hematite nanoparticles

Nanoparticle aggregates in solution controls surface reactivity and function. Complete dispersion often requires additive sorbents to impart a net repulsive interaction between particles. Facet engineering of nanocrystals offers an alternative approach to produce monodisperse suspensions simply based on facet-specific interaction with solvent molecules. Here, we measure the dispersion/aggregation of three morphologies of hematite (α-Fe 2 O 3 ) nanoparticles in varied aqueous solutions using ex situ electron microscopy and in situ small-angle x-ray scattering. We demonstrate a unique tendency of (104) hematite nanoparticles to maintain a monodisperse state across a wide range of solution conditions not observed with (001)- and (116)-dominated particles. Density functional theory calculations reveal an inert, densely hydrogen-bonded first water layer on the (104) facet that favors interparticle dispersion. Results validate the notion that nanoparticle dispersions can be controlled through morphology for specific solvents, which may help in the development of various nanoparticle applications that rely on their interfacial area to be highly accessible in stable suspensions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Particle size distributions of several commonly used seeding aerosols

During the course of experimentation, no solid particle powder could be found which produced an aerosol with a narrow particle size distribution when fluidization was the only flow process used in producing the aerosol. The complication of adding particle size fractionation processes to the aerosol generation effort appears to be avoidable. In this regard, a simple sonic orifice is found to be effective in reducing the percentage of agglomerates in the several metal oxide powders tested. Marginally beneficial results are obtained for a 0.5/99.5 percent by weight mixture of the flow agent and metal oxide powder. However, agglomeration is observed to be enhanced when the flow agent percentage is increased to 5 percent. Liquid atomization using the Collison nebulizer as well as a version of the Laskin nozzle resulted in polydispersed aerosols with particle size distributions heavily weighted by the small particle end of the size spectrum. The aerosol particle size distributions produced by the vaporization/condensation seeder are closer to the ideal monodispersed aerosol than any of the other aerosols tested. In addition, this seeding approach affords a measure of control over particle size and particle production rate.

Crosswy, F. L.↗

Biomimetic mineralization of positively charged silica nanoparticles templated by thermoresponsive protein micelles: applications to electrostatic assembly of hierarchical and composite superstructures

High information content building blocks offer a path toward the construction of precision materials by supporting the organization and reconfiguration of organic and inorganic components through engineered functions. Here, we combine thermoresponsiveness with biomimetic mineralization by fusing the Car9 silica-binding dodecapeptide to the C-terminus of the (VPGVG) 54 elastin-like polypeptide (ELP). Using small angle X-ray scattering, we show that the short Car9 cationic block is sufficient to promote the conversion of disordered unimers into 30 nm micelles comprising about 150 proteins, 5 °C above the transition temperature of the ELP. While both species catalyze self-limiting silica precipitation, micelles template the mineralization of highly monodisperse (62 nm) nanoparticles, while unimers yield larger polydisperse species. Strikingly, and unlike traditional synthetic silica, these particles exhibit a positive surface charge, likely due to cationic Car9 sidechains projecting from their surface. Capitalizing on the high monodispersity and positive charge of the micelle-templated products, we use smaller silica and gold particles bearing a native negative charge to create a variety of superstructures via electrostatic co-assembly. Furthermore, this simple biomimetic route to positively charged silica eliminates the need for multiple precursors or surface modifications and enables the rapid creation of single-material and composite architectures in which components of different sizes or compositions are well dispersed and integrated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗