Results for “Particle dispersion” — Page 15

NASA NTRS1985

Decay of a coherent scalar disturbance in a turbulent flow

The time evolution of an initially coherent, sinusoidal passive-scalar disturbance is considered when the wavelength q is less than the length scale of the surrounding isotropic turbulent flow. In 64 sup 3 direct numerical simulations a Gaussian prescription for the average scalar amplitude breaks down after a timescale associated with the wavenumber of the disturbance and there is a transition to a new characteristic decay. The Gaussian prescription is given by exp(-(1/2) q-squared w(t)), where a form for w(t), the Lagrangian mean square displacement of a single fluid particle, is proposed. After the transition the decay is given by exp(-t/tau), where tau is the new characteristic timescale. If q k(sub K), then 1/tau = 1/tau(sub D) + 1/tau(sub K), where k(sub K) is the Kolmogorov wavenumber, tau(sub D) is the diffusive timescale and tau(sub K) is the Kolmogorov timescale. An experiment originally proposed by de Gennesis considered in which the evolution of a coherent laser-induced pattern is read by a diffracting laser. The theory of this experiment involves the dispersion of particle pairs, but it is shown that in a certain limit it reduces to the single Fourier-mode problem and can be described in terms of single particle diffusion. The decay of a single mode after the transition in the simulation best describes the experiment.

Kerr, R. M.↗

NASA NTRS1992

Apparatus for photocatalytic treatment of liquids

Apparatus for decontaminating a contaminated fluid by using photocatalytic particles. The apparatus includes a reactor tank for holding a slurry of the contaminated fluid and the photocatalytic particles ultraviolet light irradiates the surface of the slurry, thereby activating the photocatalytic properties of the particles. Stirring blades for continuously agitate the irradiated fluid surface maintaining the particles in a suspended state within the fluid. A cross flow filter is used for separating the fluid from the semiconductor powder after the decomposition reaction is ended. The cross flow filter is occasionally back flushed to remove any caked semiconductor powder. The semiconductor powder may be recirculated back to the tank for reuse, or may be stored for future use. A series of reactor tanks may be used to gradually decompose a chemical in the fluid. The fluid may be pretreated to remove certain metal ions which interfere with the photocatalytic process. Such pretreatment may be accomplished by dispersing semiconductor particles within the fluid, which particles adsorb ions or photodeposit the metal as the free metal or its insoluble oxide or hydroxide, and then removing the semiconductor particles together with the adsorbed metal ions/oxides/hydroxide/free metal from the fluid.

Cooper, Gerald↗

NASA NTRSDate not supplied

Demonstration of Capability to Simulate Particle Irregular Shape and Poly-Disperse Mixtures Within Lunar Lander Plume-Surface Interaction

Plume-Surface Interaction (PSI) between lander engine plumes and regolith soil creates hazards in obscuration and contamination by particle clouds, high-energy ejecta streams, and landing area cratering damage. The MSFC Fluid Dynamics Branch is developing simulation tools to offer a predictive PSI capability to NASA customers such as the Human Lander System (HLS) and Commercial Lunar Payload Services (CLPS). The Gas-Granular Flow Solver (GGFS) is the main application tool for coupled gas-particle two-phase flow simulations to predict the range of PSI effects from onset of surface erosion to deep crater formation. GGFS features an Eulerian-Eulerian modeling approach, treating both gas and granular material as interacting continuum phases. Modeling the lunar regolith granular material fluidic characteristics poses special challenges due to complex particle shapes and mixture composition. The lunar regolith is poorly sorted with broad particle size distributions and large fines content. It has significant cohesion, due to interlocking jagged particle shapes. Eulerian granular material flow modeling requires closure formulations for the granular material constitutive models (stress, friction, collisional and kinetic energy dissipation, drag, etc.). While closure models for spherical particles are available from particle kinetic theory, closure models for realistic non-spherical particles must be extracted from unit physics Discrete Element Model (DEM) particle interaction simulations and provided in the form of tabular datasets. The effects of particle irregular shape (non-spherical shape factors, angular particle surface roughness, and interlocking features) are simulated by approximating the particle features in the form of grouped elemental spheres to form composite particles in the DEM simulations. The effects of the wide range of regolith mixture particle sizes and the strong effects of the presence of the small particle sizes results in high cohesion and low porosity of the regolith mixture. The range of particle sizes is simulated by binning the particle sizes into an appropriate finite number of particle-size species and solving the problem as a species mixture. Combining these two modeling approaches enables simulations to capture both, the contributions of the irregular particle shape and the particle size distribution. The integration and maturation of the DEM-based constitutive model database generation process and poly-disperse mixture binning approach into the GGFS simulation framework are proceeding under funding by the NASA Game Changing Development program. The status of current capabilities will be presented in comparisons of crater characteristics resulting for spherical and irregular shape particles, and for mono-, bi-, and tri-disperse mixture simulations of Apollo LM plume-surface interaction. The computational results confirm the significance of including the particle shape and mixture effects. Going forward plans for the full implementation of the general poly-disperse regolith modeling capability and maturation towards NASA project application readiness under the GCD program will be presented.

Peter A Liever↗

NASA NTRSDate not supplied

Demonstration of Capability to Simulate Particle Irregular Shape and Poly-Disperse Mixtures Within Lunar Lander Plume-Surface Interaction

Plume-Surface Interaction (PSI) between lander engine plumes and regolith soil creates hazards in obscuration and contamination by particle clouds, high-energy ejecta streams, and landing area cratering damage. The MSFC Fluid Dynamics Branch is developing simulation tools to offer a predictive PSI capability to NASA customers such as the Human Lander System (HLS) and Commercial Lunar Payload Services (CLPS). The Gas-Granular Flow Solver (GGFS) is the main application tool for coupled gas-particle two-phase flow simulations to predict the range of PSI effects from onset of surface erosion to deep crater formation. GGFS features an Eulerian-Eulerian modeling approach, treating both gas and granular material as interacting continuum phases. Modeling the lunar regolith granular material fluidic characteristics poses special challenges due to complex particle shapes and mixture composition. The lunar regolith is poorly sorted with broad particle size distributions and large fines content. It has significant cohesion, due to interlocking jagged particle shapes. Eulerian granular material flow modeling requires closure formulations for the granular material constitutive models (stress, friction, collisional and kinetic energy dissipation, drag, etc.). While closure models for spherical particles are available from particle kinetic theory, closure models for realistic non-spherical particles must be extracted from unit physics Discrete Element Model (DEM) particle interaction simulations and provided in the form of tabular datasets. The effects of particle irregular shape (non-spherical shape factors, angular particle surface roughness, and interlocking features) are simulated by approximating the particle features in the form of grouped elemental spheres to form composite particles in the DEM simulations. The effects of the wide range of regolith mixture particle sizes and the strong effects of the presence of the small particle sizes results in high cohesion and low porosity of the regolith mixture. The range of particle sizes is simulated by binning the particle sizes into an appropriate finite number of particle-size species and solving the problem as a species mixture. Combining these two modeling approaches enables simulations to capture both, the contributions of the irregular particle shape and the particle size distribution. The integration and maturation of the DEM-based constitutive model database generation process and poly-disperse mixture binning approach into the GGFS simulation framework are proceeding under funding by the NASA Game Changing Development program. The status of current capabilities will be presented in comparisons of crater characteristics resulting for spherical and irregular shape particles, and for mono-, bi-, and tri-disperse mixture simulations of Apollo LM plume-surface interaction. The computational results confirm the significance of including the particle shape and mixture effects. Going forward plans for the full implementation of the general poly-disperse regolith modeling capability and maturation towards NASA project application readiness under the GCD program will be presented.

Peter A. Liever↗

NASA NTRS1994

Method of decontaminating a contaminated fluid by using photocatalytic particles

A system for decontaminating the contaminated fluid by using photocatalytic particles. The system includes a reactor tank for holding the contaminated fluid and the photocatalytic particles suspended in the contaminated fluid to form a slurry. Light irradiates the surface of the slurry, thereby activating the photocatalytic properties of the particles. The system also includes stirring blades for continuously agitating the irradiated fluid surface and for maintaining the particles in a suspended state within the fluid. The system also includes a cross flow filter for segregating the fluid (after decomposition) from the semiconductor powder. The cross flow filter is occasionally back flushed to remove any semiconductor powder that might have caked on the filter. The semiconductor powder may be recirculated back to the tank for reuse, or may be stored for future use. A series of such systems may be used to gradually decompose a chemical in the fluid. Preferably, the fluid is pretreated to remove certain metal ions which interfere with the photocatalytic process. Such pretreatment may be accomplished by dispersing semiconductor particles within the fluid, which adsorb ions or photodeposit the metal as the free metal or its insoluble oxide or hydroxide, and then removing the semiconductor particles together with the adsorbed metal ions/oxides/hydroxide/free metal from the fluid. A method of decontaminating a contaminated fluid is also disclosed.

Cooper, Gerald↗

NASA NTRS1994

Behavior of a Polydisperse Cluster of Drops Evaporating in a Vortex

A model has been developed to describe the dynamics and evaporation of polydisperse collections of liquid drops in an axisymmetric, infinite, cylindrical vortex. This formulation is valid both in the dense regime, where interactions between particles are important, and in the dilute regime, where interactions between particles are not important. In contrast to the standard way of discretizing polydisperse collections of particles, where the initial size distribution is partitioned into a finite number of bins and these bins are fixed during the calculation, here it is only the initial size distribution which is partitioned into a finite number of sizes. Each initial size class thus defined is followed dynamically and thermodynamically in its own system of coordinates which moves with the drops. Therefore, each initial size class develops a continuum of sizes as the drops are centrifuged towards the hotter ambient and evaporate. The gas phase is followed in its own system of coordinates.

liquid evaporation liquid dispersal particle flow↗

DOE OSTI2025

A simple centrifuge cell method for ex situ quantification of electrical conductivity of slurry electrode materials

We present the design, experimental procedure, and experimental evaluation of a system for fast, simple, and ex situ characterization of electrical conductivity of slurry electrode materials. The system uses a custom-designed electrochemical cell compatible with centrifugation in a swing-bucket centrifuge. The cell features cylindrical graphite electrodes that are partially sheathed so as to expose only 2 mm of the electrode surface to the bottom region of the packed particulate pellet. Also presented is a conduction model that provides a shape factor for estimating effective conductivity. We tested aqueous solutions of carbon black (CB), activated carbon (AC), and mixtures thereof. These particles were dispersed in 0.0 and 0.5 M NaCl solutions. Measurements show that the effective conductivity initially increases linearly with pellet mass and then saturates at higher masses. Notably, CB exhibited a fivefold increase in conductivity than AC at equal pellet masses. CB/AC mixtures at a fixed pellet mass were tested with CB mass fractions of 0 to 100%. Interestingly, the mixture conductivity was found to be a non-monotonic function of CB mass fraction, with a maximum conductivity at about 60 % CB mass fraction. At this maximum, the mixture conductivity is approximately 30 % higher than pure CB. NaCl concentration in the slurry solution had no effects on conductivity. These results highlight the interactions between slurry electrode composition and compaction, offering insights for optimizing slurry electrodes. Furthermore, the system and results may also be applicable to evaluation of particulate materials (including slurries) used for Li-ion batteries, capacitive deionization, fuel cells, and flow electrodes.

Capacitive deionization↗

DOE OSTI2023

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↗

DOE OSTI2021

Effects of support and promoter on Ru catalyst activity in microwave-assisted ammonia synthesis

Microwave-assisted ammonia synthesis is a promising alternative to the energy-intensive Haber-Bosch process, specially at small- and medium-scale with renewable H 2 as resource. Here, we report that Cs promoted Ru/CeO 2 catalyst exhibits considerable activity at 533 K and ambient pressure. In this work, the combined theoretical and experimental approaches are adopted to optimize the electronic and geometric structures of Ru on the catalysts. Both DFT modeling work and structural characterization show that the strong interaction between Ru and CeO 2 results in the formation of highly dispersed Ru particles favoring ammonia synthesis. The higher electron donating ability of CeO 2 and lower electronegativity of Cs promoter result in higher electron density on Ru reducing the N≡N dissociation barrier. Finally, the work demonstrates the potential of microwave-assisted catalytic process in activating stable molecules for ammonia synthesis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Simultaneous transmission/absorption photometry of particle-laden filters from wildland fires during the Biomass Burning Observation Project (BBOP) field campaign

Transmissivity and absorptivity measurements were carried out simultaneously in the visible (wavelength of 532 nm) at laboratory conditions using particle-laden filters obtained from a three-wavelength particle/soot absorption photometer (PSAP). Here, the particles were collected on filters from wildland fires over the Pacific Northwest during the Department of Energy Biomass Burning Observation Project (BBOP) field campaign in 2013. The objective of this investigation was to apply this measurement approach, referred to as simultaneous transmission/absorption photometry (STAP), to estimate the aerosol extinction coefficient from actual field-campaign filter aerosol, and compare results with the PSAP. The STAP approach offers several advantages over the PSAP, including estimation of the extinction coefficient from temperature measurements (avoiding the complexities associated with filter reflectivity/scattering measurements), as well as determination of the filter optical properties and filter effects on particle absorption (resulting in particle absorption enhancement). The experimental arrangement included a laser probe beam impinging normal to the particle-coated surface of a vertically mounted filter, and a thermocouple placed flush in the middle of (and in thermal contact with) the filter uncoated back surface. With this simple arrangement, the transmissivity and absorptivity were determined simultaneously at a given laser beam wavelength. The measurement repeatability was better than 0.3 K (95% confidence level) for temperature and 0.4 mW for laser power. The limit of detection for the extinction coefficient was estimated to be (8–12) Mm -1 (95% confidence level) at about 1.9 mW laser power. The extinction coefficient was determined through measurement of both PSAP blank and exposed filters. Filters were obtained from nine different aircraft flights conducted during the BBOP campaign, representing different flight patterns, days, stages of burning, landscapes, and wildland fires. The STAP extinction coefficient matched the darkness of the filter coating, however the PSAP-filter results did not follow the same order. Although there were differences in transmissivity between the two techniques, the estimated values for absorption coefficient were in good agreement.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Unearthing principal strengthening factors tuning the additive manufactured 15-5 PH stainless steel

Additive manufactured (AM) materials exhibit enhanced performance, while post-processing is essential to reinforce its properties. Controlling the tunable factors and the underlying strengthening mechanisms during the post-processing are a key to answering the calls from the industry and end users. We identified the principal strengthening factors that contribute to AM stainless steel under heat-treatment and weighed their importance. The as-built sample exhibited a unique microstructure with a heterogeneous grain size distribution, a small amount of retained austenite, high dislocation density, and dispersed oxide particles. The strengthening primarily by dislocation forest and additionally by heterogeneous grain size contributed to the as-built sample. Although aging slightly decreased dislocation strengthening, superior aging enhancement was achieved by Cu-precipitates. The solid-solutionizing not only increased the effective grain size but also reduced the dislocation density by eliminating the heterogeneous microstructure, which deteriorated the precipitation hardenability. Our findings shed light on the performance optimization of AM metals.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Thermal Stability and Mechanical Properties of Cold-Sprayed Nickel-Yttria Coating

The microstructural evolution under the extreme environments imposed during cold spray deposition of cermet coatings and the microstructural recovery during post-processing annealing treatments is rather complex and not well understood. Here, Ni-Yttria cermet coatings on an SS304 substrate were produced using cold spray technique, resulting in a bimodal grain structure. The grain growth, phase stability, hardness, and wear properties are observed in as-deposited and annealed (at 400 °C) Ni-Yttria and pure Ni coatings. A multimodal microstructural characterization using electron microscopy, and atom probe tomography shows the structural and compositional stability of yttria particles and Ni grains. A fragmentation of Y-rich particles and dispersion in Ni was observed, however, no forced mixing/dissolution of Y in Ni is detected. Nano-yttria dispersed within the Ni grains slowed the grain growth during annealing. After annealing, Yttria reinforced coating was 1.5 times harder and showed better thermal and mechanical stability compared to the Ni coating.

Gwalani, Bharat↗

DOE OSTI2020

A Monte Carlo Approach to Approximating the Effects of Pore Geometry on the Phase Behavior of Soil Freezing

Abstract Freezing in porous media is associated with a host of dynamic phenomena that stem from the presence and mobility of premelted liquid at subzero temperatures. Accurate assessments of the progressive liquid‐ice phase transition is required for predictive models of frost damage, glacier‐till coupling, and many other cold regions processes, as well as for evaluating the capacity for water storage in near‐surface extraterrestrial environments. We use a Monte Carlo approach to sample the pore space in a synthetic 3D packing of poly‐dispersed spherical particles and evaluate local geometrical constraints that allow us to assess changes in the relative proportions of pore fluid and ice. By approximating the phase boundary geometry in fine‐grained pores while considering both the curvature of the liquid‐ice interface and wetting interactions with matrix particles, our model predicts changes in phase equilibrium in granular media over a broad temperature range, where present accounting for the colligative effects of chloride and perchlorate solutes. In addition to formulating the constitutive behavior needed to better understand properties and processes in frozen soils, our results also provide insight into other aspects of phase equilibria in porous media, including the formation of methane hydrates in permafrost and marine sediments, and the partitioning between liquid water and vapor in the vadose zone.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Effects of Dissolution Regimes on Flow Channelization and Solute Transport in 3D Fracture Networks: Insights From Graph‐Based Reactive Transport Modeling

We investigate how mineral dissolution reshapes flow pathways and solute transport in three‐dimensional discrete fracture networks using a computationally efficient graph‐based reactive transport model. The DFNs are inspired by field‐site observations of fractured carbonate and represent realistic connectivity and structural heterogeneity. Flow is simulated with the Reynolds equation, and dissolution follows first‐order kinetics with diffusive limitations captured through an effective mass‐transfer coefficient. By systematically varying two key dimensionless parameters, the effective Damköhler number (Da), governing reaction versus advection rates, and a transport parameter (Da), analogous to the Thiele modulus, distinct flow channelization regimes emerge: mildly channelized at low G, highly channelized at intermediate Da, and extreme wormhole formation at high Da and low G. Eulerian and Lagrangian analyses, including breakthrough curves, particle tortuosity, dispersivity, and flow channeling indicators quantitatively characterize the progression of dissolution‐driven network restructuring. Across all regimes, initial fracture heterogeneity persists. The results underscore how the interplay between this initial structure, advection, reaction, and diffusion critically shapes subsurface flow pathways, with implications for applications ranging from groundwater remediation to enhanced geothermal systems.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Mott insulators with boundary zeros

The topological classification of electronic band structures is based on symmetry properties of Bloch eigenstates of single-particle Hamiltonians. In parallel, topological field theory has opened the doors to the formulation and characterization of non-trivial phases of matter driven by strong electron-electron interaction. Even though important examples of topological Mott insulators have been constructed, the relevance of the underlying non-interacting band topology to the physics of the Mott phase has remained unexplored. Here, we show that the momentum structure of the Green’s function zeros defining the “Luttinger surface" provides a topological characterization of the Mott phase related, in the simplest description, to the one of the single-particle electronic dispersion. Considerations on the zeros lead to the prediction of new phenomena: a topological Mott insulator with an inverted gap for the bulk zeros must possess gapless zeros at the boundary, which behave as a form of “topological antimatter” annihilating conventional edge states. Placing band and Mott topological insulators in contact produces distinctive observable signatures at the interface, revealing the otherwise spectroscopically elusive Green’s function zeros.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Overcoming the phase separation within high-entropy metal carbide by poly(ionic liquid)s

High-entropy crystalline materials are attracting more attention. In principle, high-entropy metal carbides (HMCs) that contain five or more metal ions, possess more negative free energy value during catalysis. But its preparation is challenging because of the immiscibility of multi metal cations in a single carbide solid solution. Here, a rational strategy for preparing HMC is proposed via a coordination-assisted crystallization process in the presence of Br-based poly(ionic liquids). Through this method, Mo 0.2 W 0.2 V 0.2 Cr 0.2 Nb 0.2 C nanoparticles, with a single cubic phase structure, incorporated on porous carbon, are obtained (HMC@NC). By combination of well dispersed small particle size (~4 nm), high surface area (~270 m 2 g –1 ), and high-entropy phase, HMC@NC can function as a promising catalyst for the dehydrogenation of ethylbenzene. Here, unexpected activity (EB conv.: 73%) and thermal stability (>100 h on steam) at 450 °C are observed. Such a facile synthetic strategy may inspire the fabrication of other types of HMCs for more specific tasks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Properties of isoscalar giant multipole resonances in medium-heavy closed-shell nuclei: A semimicroscopic description

The semimicroscopic particle-hole dispersive optical model (PHDOM) is implemented to describe main properties of Isoscalar Giant Multipole Resonances (up to L=3) in medium-heavy closed-shell nuclei. Here, the main properties are characterized by the strength distribution, transition density, partial and total probabilities of direct one-nucleon decay. Calculation results obtained for the 208 Pb nucleus are compared with available experimental data.

190 ≤ A ≤ 219↗

DOE OSTI2023

Semimicroscopic description of isoscalar giant multipole resonances in medium-mass closed-shell nuclei

Main properties of isoscalar giant multipole resonances (up to L=3), including L=0,and 2 overtones, in medium-mass closed-shell nuclei are described within the semimicroscopic particle-hole dispersive optical model. Further, main properties are characterized by the energy-averaged strength distribution, projected (one-body) transition density, and probabilities of direct one-nucleon decay. Calculation results obtained for characteristics of the mentioned resonances in the 48 Ca, 90 Zr, and 132 Sn nuclei are compared with available experimental data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗