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At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Particle Tracking Methods for Battery Precipitation Reactions

Precipitation and deposition reactions at solid–liquid interfaces play a key role in a number of battery chemistries, including Li-ion, so-called “anode free” batteries, zinc-based battery chemistries, and lithium–sulfur, among others. Although models with heterogeneous nucleation and growth phenomena are present in the literature, papers have not to date provided much detail on the numerical algorithms used to track the temporal evolution of the particle size distribution of deposits on electrode surfaces. In this paper we examine several approaches to discretize and track the particle size distribution, demonstrating that common approaches lead to anomalous flattening of the particle size distribution. We conclude by presenting an algorithm that preserves the appropriate particle size distribution during particle growth.

Algorithms↗
DOE OSTI2023

Experimental study on particle formation in a pressurized oxy-fuel combustor using a novel in-situ optical instrument

Particle formation in pressurized oxy-fuel combustion can be fundamentally different from oxy-fuel combustion at atmospheric pressure. Under high pressures, the rate of char gasification with CO2 and H2O increases significantly and dominates the char reactions particularly at high temperatures. Also, the extent of fragmentation varies. This could result in a very different particle size distribution from that of air-fired combustion. To accurately obtain the particle size distribution in a pressurized oxy-fuel combustor without sampling bias, the particle measurement should be made at the system pressure. Very few published studies have accomplished this, and never under the conditions reported herein. In this work, we fire PRB coal in a 100 kWth staged pressurized oxy-fuel combustor (SPOC) under two pressures, 15 and 2 bara. A sampling probe (oil-cooled) is installed at the combustor outlet and the aerosol flow are sampled isokinetically. We utilize a state-of-the-art optical analyzer (Malvern Insitec) with a novel high-pressure and high-temperature flow cell to measure the particle size distribution and concentration in-situ in a sampled flow, which contains moist/corrosive flue gas under the process pressure and a controlled temperature that is kept above the dew point. The results show that the pressure can significantly influence the particle size distribution and concentration from the oxy-fuel combustor.

Cheng, Mao↗
DOE OSTI2026

High Time Resolution Modelled and Measured New Particle Formation Rates During the 2023 Pittsburgh, PA Campaign

Particle size distributions are used to calculate nucleation rates during new particle formation (NPF). However, the low time resolution and poor sensitivity of instruments deployed to observe particle size distributions can lead to inaccurate estimates of nucleation rates. We calculated nucleation rates in Pittsburgh, PA from particle size distributions measured with the new high time resolution Condensation Particle Counters For Atmospheric Rapid Measurements (CPC FARM) and from gas precursor concentrations measured with a chemical ionization mass spectrometer. The CPC FARM nucleation rates were calculated by examining the appearance rate of particles in the smallest size bin at 1.6 nm. The nucleation rate of 1.6 nm determined every second resulted in positive and negative rates, indicating the influence of inhomogeneous mixing and advection of precursor gases and clusters. These effects are not currently considered when estimating nucleation rates from measurements. The nucleation rates from the CPC FARM were compared to the nucleation rates determined from a transient acid‐base reaction model using measured sulfuric acid concentration, strong base concentrations, and CPC detection efficiencies. The transient form of the model allowed the advection of heterogeneously mixed precursors to influence the nucleation rate. Good agreement between particle and gas‐based nucleation rates is observed during sulfuric acid‐driven NPF events. This study demonstrates that high time resolution measurements of short‐lived and rapidly formed particles are needed to accurately capture nucleation rates, which are likely influenced by advection of nucleation precursors and clusters in heterogeneous environments such as urban areas.

Cheng, D. [Carnegie Mellon Univ., Pittsburgh, PA (↗
DOE OSTI2023

Muon Decay Study at NSRL

A muon is an unstable subatomic particle, classified as a lepton according to the Standard Model. Muons are charged leptons with 1/2 spin. They were discovered by Neddermeyer and Anderson from hadronic cosmic ray showers. Figure 1 provides a visual representation of a cosmic ray shower in Earth’s atmosphere. At a height of 50 000 m in the atmosphere, a primary cosmic ray (mainly protons, helium, a heavy nucleus or a gamma ray) interacts with a gas molecule. The striking of a gas molecule creates a cosmic ray shower, where the energy of the primary particle is distributed among many secondary particles and gamma rays. With each interaction, the cosmic ray particles in the shower lose energy but distribute this energy among a higher number of particles. From the initial interaction, primarily heavy nuclei and pions are generated. Heavy nuclei will interact with gas molecules to produce protons, gamma rays, electrons and pions. The dominant decay mode of neutral pions is to two gamma rays, while charged pions decay to a muon and a neutrino (equation 1): $π^+ → µ^+$ + $\overline ν$ $_µ$; $π → µ$ $^-$ + $\overline v$ $_µ$.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Characterization of the Emissions and Crystalline Silica Content of Airborne Dust Generated from Grinding Natural and Engineered Stones

Abstract In this study, we systematically characterized the airborne dust generated from grinding engineered and natural stone products using a laboratory testing system designed and operated to collect representative respirable dust samples. Four stone samples tested included two engineered stones consisting of crystalline silica in a polyester resin matrix (formulations differed with Stones A having up to 90wt% crystalline silica and Stone B up to 50wt% crystalline silica), an engineered stone consisting of recycled glass in a cement matrix (Stone C), and a granite. Aerosol samples were collected by respirable dust samplers, total dust samplers, and a Micro-Orifice Uniform Deposit Impactor. Aerosol samples were analyzed by gravimetric analysis and x-ray diffraction to determine dust generation rates, crystalline silica generation rates, and crystalline silica content. Additionally, bulk dust settled on the floor of the testing system was analyzed for crystalline silica content. Real-time particle size distributions were measured using an Aerodynamic Particle Sizer. All stone types generated similar trimodal lognormal number-weighted particle size distributions during grinding with the most prominent mode at an aerodynamic diameter of about 2.0-2.3 μm, suggesting dust formation from grinding different stones is similar. Bulk dust from Stone C contained no crystalline silica. Bulk dust from Stone A, Stone B, and granite contained 60, 23, and 30wt% crystalline silica, respectively. In Stones A and B, the cristobalite form of crystalline silica was more plentiful than the quartz form. Only the quartz form was detected in granite. The bulk dust, respirable dust, and total dust for each stone had comparable amounts of crystalline silica, suggesting that crystalline silica content in the bulk dust could be representative of that in respirable dust generated during grinding. Granite generated more dust per unit volume of material removed than the engineered stones, which all had similar normalized dust generation rates. Stone A had the highest normalized generation rates of crystalline silica, followed by granite, Stone B, and Stone C (no crystalline silica), which likely leads to the same trend of respirable crystalline silica (RCS) exposure when working with these different stones. Manufacturing and adoption of engineered stone products with formulations such as Stone B or Stone C could potentially lower or eliminate RCS exposure risks. Combining all the effects of dust generation rate, size-dependent silica content, and respirable fraction, the highest normalized generation rate of RCS consistently occurs at 3.2-5.6 µm for all the stones containing crystalline silica. Therefore, removing particles in this size range near the generation sources should be prioritized when developing engineering control measures.

Public, Environmental & Occupational Health↗
DOE OSTI2023

mergedsmpsapsml

Merged aerosol particle size distributions for the Aerodynamic Particle Sizer (APS) and Scanning Mobility Particle Sizer (SMPS) instruments with Machine Learning Quality Checks Applied

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Integrated modeling methodology for ash agglomeration in poly-disperse fluidized beds using particle population framework

This article discusses a unique agglomeration modeling methodology developed based on binary collisions to combine the effects of heterogeneity in ash chemistry and granular physics. A simple population balance is defined to find changes in the particle size distribution (PSD) of a fluidized bed. Thermodynamic equilibrium calculations and a computational fluid dynamics (CFD) code, are used to obtain hydrodynamic parameters. A method to calculate and use a distribution of collision frequencies in fluidized beds, corresponding to a poly-disperse particle size distribution, was developed in order to incorporate the particle level heterogeneities. A distribution of collision frequencies obtained for poly-dispersed particles showed a three orders of magnitude higher collision frequency amongst the smaller particles than the coarser ones, at the initiation of agglomeration. Ash agglomeration occurred when the slag amount (binder) was less than 10 wt% at temperatures <850 °C for Pittsburgh No. 8 coal.

42 ENGINEERING↗
DOE OSTI2020

Predicting Emission Source Terms in a Reduced-Order Fire Spread Model—Part 1: Particulate Emissions

A simple, easy-to-evaluate, surrogate model was developed for predicting the particle emission source term in wildfire simulations. In creating this model, we conceptualized wildfire as a series of flamelets, and using this concept of flamelets, we developed a one-dimensional model to represent the structure of these flamelets which then could be used to simulate the evolution of a single flamelet. A previously developed soot model was executed within this flamelet simulation which could produce a particle size distribution. Executing this flamelet simulation 1200 times with varying conditions created a data set of emitted particle size distributions to which simple rational equations could be tuned to predict a particle emission factor, mean particle size, and standard deviation of particle sizes. These surrogate models (the rational equation) were implemented into a reduced-order fire spread model, QUIC-Fire. Using QUIC-Fire, an ensemble of simulations were executed for grassland fires, southeast U.S. conifer forests, and western mountain conifer forests. Resulting emission factors from this ensemble were compared against field data for these fire classes with promising results. Also shown is a predicted averaged resulting particle size distribution with the bulk of particles produced to be on the order of 1 μm in size.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Optical filters made from random metasurfaces using Bayesian optimization

Abstract We theoretically investigate the ability to design optical filters from a single material and a single layer of randomly dispersed resonant dielectric particles, defining a random metasurface. Using a Bayesian and generalized Mie inverse-design approach, we design particle radii distributions that give rise to longpass, shortpass, bandpass, and bandstop spectral bands in the infrared. The optical response is shown to be directly related to electric and magnetic multipole scattering of the constituent particles and their near field coupling. We discuss the effect of the particle size distribution and particle–particle coupling interactions on filter design in random systems lacking long-range order.

Materials Science↗
DOE OSTI2021

Reducing Zinc Redistribution and Extending Cycle Life Via Electrochemical Synthesis of Zinc/Zinc Oxide Anodes in Rechargeable Alkaline Batteries

Redistribution of zinc over the electrode surface, also known as shape change, is a major problem and a cause of failure in alkaline zinc anode batteries. To mitigate this phenomenon, we propose a scalable approach based on an in situ formed, highly porous electrochemically synthesized ZnO matrix with uniformly electrodeposited zinc particles. This results in ∼70% improvement in cycle life performance at a rate of 10 mA cm −2 compared to control Zn anodes, which have not gone through the formation process. A quantitative electrolyte analysis revealed under-saturated zincate ion concentration in the electrochemically synthesized ZnO/Zn cells indicating reduced zincate movement. Post mortem analysis of the anodes indicated higher retention of both Zn and ZnO on the electrochemically synthesized ZnO anodes signifying reduced redistribution of active material. Image analysis of the cycled anodes revealed a narrower Zn particle size distribution (62−79 μ m) in contrast to a wider particle size distribution of 51–96 μ m observed in the control anodes. The formation approach results in electrochemically synthesized ZnO/Zn anodes providing a stable ZnO matrix in which Zn particles retain their localized distribution on cycling better than control electrodes conventionally made by pasting zinc particles together with a binder.

Kolhekar, Snehal (ORCID:0000000210321153)↗
DOE OSTI2020

Ultra‐Uniform Nanocrystalline Materials via Two‐Step Sintering

Abstract Nanocrystalline materials with superior properties are of great interest. Much is discussed about obtaining nanograins, but little is known about maintaining grain‐size uniformity that is critical for reliability. An especially intriguing question is whether it is possible to achieve a size distribution narrower than what Hillert theoretically predicted for normal grain growth, a possibility suggested—for growth with a higher growth exponent—by the generalized mean‐field theory of Lifshitz, Slyozov, Wagner (LSW), and Hillert but never realized in practice. Following a rationally designed two‐step sintering route, it has been made possible in bulk materials by taking advantage of the large growth exponent in the intermediate sintering stage to form a uniform microstructure despite residual porosity, and freezing the grain growth thereafter while continuing densification to reach full density. The bulk dense Al 2 O 3 ceramic thus obtained has an average grain size of 34 nm and a size distribution much narrower than Hillert's prediction. Bulk Al 2 O 3 with a grain‐size distribution narrower than the particle‐size distribution of starting powders is also demonstrated, as are highly uniform bulk engineering metals (refractory Mo and W‐Re alloy) and complex functional ceramics (BaTiO 3 ‐based alloys with superior dielectric strength and energy capacity).

Dong, Yanhao↗
DOE OSTI2024

High–Performance NiCo 2 O 4 /Graphene Quantum Dots for Asymmetric and Symmetric Supercapacitors with Enhanced Energy Efficiency

For the sustainable growth of future generations, energy storage technologies like supercapacitors and batteries are becoming more and more common. However, reliable and high-performance materials’ design and development is the key for the widespread adoption of batteries and supercapacitors. Quantum dots with fascinating and unusual properties are expected to revolutionize future technologies. However, while the recent discovery of quantum dots honored with a Nobel prize in Chemistry, their benefits for the tenacious problem of energy are not realized yet. In this context, herein, chemical-composition tuning enabled exceptional performance of NiCo 2 O 4 (NCO)/graphene quantum dots (GQDs) is reported, which outperform the existing similar materials, in supercapacitors. A comprehensive study is performed on the synthesis, characterization, and electrochemical performance evaluation of highly functional NCO/GQDs in supercapacitors delivering enhanced energy efficiency. The high-performance, functional NCO/GQDs electrode materials are synthesized by the incorporation of GQDs into NCO. The effect of variable amount of GQDs on the energy performance characteristics of NCO/GQDs in supercapacitors is studied systematically. In-depth structural and chemical bonding analyses using X-ray diffraction (XRD) and Raman spectroscopic studies indicate that all the NCO/GQDs composites crystallize in the spinel cubic phase of NiCo 2 O 4 while graphene integration evident in all the NCO/GQDs. The scanning electron microscopy imaging analysis reveals homogeneously distributed spherical particles with a size distribution of 5–9 nm validating the formation of QDs. The high-resolution transmission electron microscopy analyses reveal that the NCOQDs are anchored on graphene sheets, which provide a high surface area of 42.27 m 2 g –1 and high mesoporosity for the composition of NCO/GQDs-10%. In addition to establishing reliable electrical connection to graphene sheets, the NCOQDs provide reliable 3D-conductive channels for rapid transport throughout the electrode as well as synergistic effects. Chemical-composition tuning, and optimization yields NCO/GQDs-10% to deliver the best specific capacitance of 3940 Fg –1 at 0.5 Ag –1 , where the electrodes retain ≈98% capacitance after 5000 cycles. The NCO/GQD-10%//AC asymmetric supercapacitor device demonstrates outstanding energy density and power density values of 118.04 Wh kg –1 and 798.76 W kg –1 , respectively. The NCO/GQDs-10%//NCO/GQDs-10% symmetric supercapacitor device delivers excellent energy and power density of 24.30 Wh kg –1 and 500 W kg –1 , respectively. These results demonstrate and conclude that NCO/GQDs are exceptional and prospective candidates for developing next-generation high-performance and sustainable energy storage devices.

25 ENERGY STORAGE↗
DOE OSTI2025

Paper or Plastic? Multiscale Material Handling Properties of Two Model Municipal Solid Waste Streams

Purpose: Municipal Solid Waste (MSW) is a potentially valuable sustainable feedstock for fuel and chemical production due to its carbon-rich content and low cost. This study aims to assess the material handling properties of paperand plastic-rich MSW feedstocks to mitigate equipment failure and processing downtime. Methods: The material handling properties of crumbled MSW feedstocks were measured using apowder rheometer with mass flow hopper calculations to assess handling performance. Inverse gas chromatography was use to measure the surface energy differences between feedstocks. Electron microscopy and Raman spectroscopy was used to evaluate microscale features that may contribute to material handling differences. Results: Plastic and paper rich feedstocks crumbled to a nominal 2 mm particle size were observed to have similar flow and handling characteristics with reasonable hopper outlets. 2 mm plastic rich crumbles, with their higher bulk density, exhibited superior flow performance. By contrast, 4 mm material required significantly larger hopper outlets, indicating poor flowability. Paper rich and 4 mm plastic rich samples displayed broad particle size distributions, which contributed to particle interlocking, jamming, and other flow issues. Electron microscopy revealed that plastic rich samples were significantly smoother, enhancing their flowability compared to the rougher, paper rich materials. Conclusions: This study establishes critical material handling baselines for processing MSW as a viable feedstock for fuel and chemical production. The findings highlight the importance of optimizing particle size and feedstock composition to improve flowability and handling performance.

09 BIOMASS FUELS↗
DOE OSTI2021

Lies, damned lies, and turnover rates

A Rayleigh distribution of particles exposing (1 1 1) surface populations is consistent with the particle size dependence of the turnover rates of the electrochemical reduction of dioxygen catalyzed by a platinum cathode.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Instability of nonlinear Trivelpiece-Gould waves. II. Weakly trapped particles

This paper discusses a novel parametric instability mechanism caused by particles that are weakly trapped in the potential wells of a nonlinear “pump” wave. The pump wave is unstable to the growth of daughter waves with longer wavelength and nearly the same phase velocity as the pump. This induces adjacent potential peaks in the wave to slowly approach one-another, receding from other pairs of peaks. Particles that are weakly trapped between approaching peaks, with kinetic energies just below the potential maxima, are heated by compression and escape the well, and then become retrapped on the other side of the approaching peaks, where they amplify the compression by pushing the peaks together. The mechanism applies to low-collisionality plasmas supporting waves with near-acoustic dispersion relations such as ion sound waves, magnetized Langmuir waves, or Alfven waves. The theory is compared to particle in cell simulations of TrivelpieceGould (TG) traveling waves, as well as to experiments on pure ion plasmas that observe parametric instability in TG standing waves.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Accuracy of the time-averaged ponderomotive approximation for laser-plasma accelerator modeling

Reliable modeling of laser-plasma accelerators, where a short and intense laser pulse propagates in an underdense plasma over long distances, is a computationally challenging task. This is due to the great disparity among the scales involved in the modeling, ranging from the micrometer scale of the laser wavelength to, for instance, the meter scale of the laser-plasma interaction length for a multi-GeV-class laser-plasma accelerator. To reduce such imbalance, the time-averaged ponderomotive approximation may be used, where the plasma particle dynamics is analytically averaged over the laser frequency, and only spatiotemporal scales associated with the laser envelope are retained in the calculations, resulting in significant computational savings. Here, we characterize the accuracy and robustness of the time-averaged ponderomotive approximation for a range of laser parameters of interest for present and future laser-plasma accelerators, and we show that the error introduced by the averaging process is small in all relevant cases.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

The Interplay of Magnetically Dominated Turbulence and Magnetic Reconnection in Producing Nonthermal Particles

Magnetized turbulence and magnetic reconnection are often invoked to explain the nonthermal emission observed from a wide variety of astrophysical sources. By means of fully kinetic 2D and 3D particle-in-cell simulations, we investigate the interplay between turbulence and reconnection in generating nonthermal particles in magnetically dominated (or, equivalently, “relativistic”) pair plasmas. A generic by-product of the turbulence evolution is the generation of a nonthermal particle spectrum with a power-law energy range. The power-law slope p is harder for larger magnetizations and stronger turbulence fluctuations, and it can be as hard as p ≲ 2. The Larmor radius of particles at the high-energy cutoff is comparable to the size l of the largest turbulent eddies. Plasmoid-mediated reconnection, which self-consistently occurs in the turbulent plasma, controls the physics of particle injection. Then, particles are further accelerated by stochastic scattering off turbulent fluctuations. The work done by parallel electric fields—naturally expected in reconnection layers—is responsible for most of the initial energy increase and is proportional to the magnetization σ of the system, while the subsequent energy gain, which dominates the overall energization of high-energy particles, is powered by the perpendicular electric fields of turbulent fluctuations. The two-stage acceleration process leaves an imprint in the particle pitch-angle distribution: lowenergy particles are aligned with the field, while the highest-energy particles move preferentially orthogonal to it. The energy diffusion coefficient of stochastic acceleration scales as Dγ ~ 0.1σ( c/l ) γ 2 , where γ is the particle Lorentz factor. This results in fast cceleration timescales t acc ~ (3 /σ)l/c . Our findings have important implications for understanding the generation of nonthermal particles in high-energy astrophysical sources.

79 ASTRONOMY AND ASTROPHYSICS↗