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At least 109 records · Page 6

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DOE OSTI2016

Volatile particles measured by vapor-particle separator

Vapor-Particle Separator (VPS) is a new technology developed for characterization of the volatile fraction of particulate matter in a combustion aerosol population. VPS incorporates a novel metallic membrane and operates in a cross-flow filtration mode for separation of vapor and solid (i.e. non-volatile) particles. Demonstration of the VPS technology on aircraft engine-emitted particles has led to the improvement of the technology and increased confidence on the robustness of its field performance. In this study, the performance of the VPS was evaluated against the Particle Measurement Programme (PMP) volatile particle remover (VPR), a standardized device used in heavy duty diesel engines for separation and characterization of non-volatile particulate matter. Using tetracontane particles in the laboratory reveals that the VPS performed reasonably well in removing the volatile species. In the field conditions, a single-mode particle size distribution was found for emitted particles from a T63 turboshaft engine at both idle and cruise engine power conditions. Removal of the volatile T63 engine particles by the VPS was consistent with that of PMP VPR. In tests on an F117 turbofan engine, the size distribution at the idle (4% rated) engine power condition was found to be bimodal, with the first mode consisting of particles smaller than 10nm, which are believed to be mostly semi-volatile particles, while the second mode of larger size was a mixture of semi-volatile and non-volatile particles. The distribution was single modal at the 33% rated engine power with no secondary mode observed. Altogether, for particles emitted by both engines, the removal efficiency of the VPS appears to surpass that of the PMP VPR by 8-10%.

42 ENGINEERING↗

DOE OSTI2016

Numerical investigation of shock interaction with one-dimensional transverse array of particles in air

In this paper, we present numerical simulations of shock propagation in air over a one-dimensional transverse array of particles. Simulations are carried out by varying the particle spacing and shock Mach number. We compute the unsteady inviscid drag coefficient as a function of time and make relevant comparisons to that for a single particle. We find that deviations in the drag coefficient in time from that of a single particle can be correlated to the acoustic-particle interaction time. Finally, we investigate and classify the interaction of the bow shocks in front of the transverse array of particles.

42 ENGINEERING↗

DOE OSTI2026

3D Tomography insights on particle-particle bonding in cold spray

The conditions of the target surface during cold spray affect deformation and bonding. While surface preparation can influence the adhesion of the first particles, such modification is not relevant to the particle-particle interfaces that dominate the growth of a coating. Here we study two-particle Cu stacks produced with a single-particle launch apparatus and compare them to single-particle experiments on a clean polished substrate. Serial cross-sectioning using microtomography permits a systematic evaluation and quantification of bonding at the particle-particle interfaces. We observe that the top particle in the two-particle stacks is much more flattened compared to single impacts on the polished substrate. Although the resulting interfacial area expansion is comparable to that of single impacts at the same velocities, bonding at the particle-particle interfaces is significantly less (never exceeding 18% even around the “optimal” velocity for bonding). Lastly, we find that hydrodynamic jetting, a form of localization known to promote adhesion in cold spray, is hindered for impacts on top of a prior particle deposition. Here, the results point to a need for future studies that separately consider topography and mechanical properties of substrates in the pursuit of optimal bonding.

Bonding↗

DOE OSTI2018

A direct comparison of particle-resolved and point-particle methods in decaying turbulence

We use particle-resolved direct numerical simulation (PR-DNS) as a model-free physics-based numerical approach to validate particle acceleration modelling in gas-solid suspensions. To isolate the effect of the particle acceleration model, we focus on point-particle direct numerical simulation (PP-DNS) of a collision-free dilute suspension with solid-phase volume fraction $\unicode[STIX]{x1D719}=0.001$ in a decaying isotropic turbulent particle-laden flow. The particle diameter $d_{p}$ in the suspension is chosen to be the same as the initial Kolmogorov length scale $\unicode[STIX]{x1D702}_{0}$ ( $d_{p}/\unicode[STIX]{x1D702}_{0}=1$ ) in order to overlap with the regime where PP-DNS is valid. We assess the point-particle acceleration model for two different particle Stokes numbers, $St_{\unicode[STIX]{x1D702}}=1$ and 100. For the high Stokes number case, the Stokes drag model for particle acceleration under-predicts the true particle acceleration. In addition, second moment quantities which play key roles in the physical evolution of the gas–solid suspension are not correctly captured. Considering finite Reynolds number corrections to the acceleration model improves the prediction of the particle acceleration probability density function and second moment statistics of the point-particle model compared with the particle-resolved simulation. We also find that accounting for the undisturbed fluid velocity in the acceleration model can be of greater importance than using the most appropriate acceleration model for a given physical problem.

Mechanics↗

DOE OSTI2014

Modelling new particle formation events in the South African savannah

Africa is one of the less studied continents with respect to atmospheric aerosols. Savannahs are complex dynamic systems sensitive to climate and land-use changes, but the interaction of these systems with the atmosphere is not well understood. Atmospheric particles, called aerosols, affect the climate on regional and global scales, and are an important factor in air quality. In this study, measurements from a relatively clean savannah environment in South Africa were used to model new particle formation and growth. There already are some combined long-term measurements of trace gas concentrations together with aerosol and meteorological variables available, but to our knowledge this is the first detailed simulation that includes all the main processes relevant to particle formation. The results show that both of the particle formation mechanisms investigated overestimated the dependency of the formation rates on sulphuric acid. From the two particle formation mechanisms tested in this work, the approach that included low volatile organic compounds to the particle formation process was more accurate in describing the nucleation events than the approach that did not. To obtain a reliable estimate of aerosol concentration in simulations for larger scales, nucleation mechanisms would need to include organic compounds, at least in southern Africa. This work is the first step in developing a more comprehensive new particle formation model applicable to the unique environment in southern Africa. Such a model will assist in better understanding and predicting new particle formation – knowledge which could ultimately be used to mitigate impacts of climate change and air quality.

Gierens, Rosa↗

DOE OSTI2021

Mass accommodation and gas–particle partitioning in secondary organic aerosols: dependence on diffusivity, volatility, particle-phase reactions, and penetration depth

Abstract. Mass accommodation is an essential process for gas–particle partitioning of organic compounds in secondary organic aerosols (SOA). The mass accommodation coefficient is commonly described as the probability of a gas molecule colliding with the surface to enter the particle phase. It is often applied, however, without specifying if and how deep a molecule has to penetrate beneath the surface to be regarded as being incorporated into the condensed phase (adsorption vs. absorption). While this aspect is usually not critical for liquid particles with rapid surface–bulk exchange, it can be important for viscous semi-solid or glassy solid particles to distinguish and resolve the kinetics of accommodation at the surface, transfer across the gas–particle interface, and further transport into the particle bulk. For this purpose, we introduce a novel parameter: an effective mass accommodation coefficient αeff that depends on penetration depth and is a function of surface accommodation coefficient, volatility, bulk diffusivity, and particle-phase reaction rate coefficient. Application of αeff in the traditional Fuchs–Sutugin approximation of mass-transport kinetics at the gas–particle interface yields SOA partitioning results that are consistent with a detailed kinetic multilayer model (kinetic multilayer model of gas–particle interactions in aerosols and clouds, KM-GAP; Shiraiwa et al., 2012) and two-film model solutions (Model for Simulating Aerosol Interactions and Chemistry, MOSAIC; Zaveri et al., 2014) but deviate substantially from earlier modeling approaches not considering the influence of penetration depth and related parameters. For highly viscous or semi-solid particles, we show that the effective mass accommodation coefficient remains similar to the surface accommodation coefficient in the case of low-volatility compounds, whereas it can decrease by several orders of magnitude in the case of semi-volatile compounds. Such effects can explain apparent inconsistencies between earlier studies deriving mass accommodation coefficients from experimental data or from molecular dynamics simulations. Our findings challenge the approach of traditional SOA models using the Fuchs–Sutugin approximation of mass transfer kinetics with a fixed mass accommodation coefficient, regardless of particle phase state and penetration depth. The effective mass accommodation coefficient introduced in this study provides an efficient new way of accounting for the influence of volatility, diffusivity, and particle-phase reactions on SOA partitioning in process models as well as in regional and global air quality models. While kinetic limitations may not be critical for partitioning into liquid SOA particles in the planetary boundary layer (PBL), the effects are likely important for amorphous semi-solid or glassy SOA in the free and upper troposphere (FT–UT) as well as in the PBL at low relative humidity and low temperature.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Improved Particle Heat Transfer by way of Bimodal Particle Distributions for High Temperature Solar Thermal Energy

High temperature solar thermal facilities are looking to increase operating temperatures through novel heat transfer media, one such being solid particles. These particles operating at high temperatures will require transferring their thermal energy into another working fluid like supercritical carbon dioxide which can be used in advanced power cycles. Achieving high heat transfer between the particles and supercritical carbon dioxide is essential to high efficiency and low-cost operation. Therefore, optimizing the thermal conductivity of these particles is one potential way to ensure high performance. Traditionally, unimodal particle distributions have been employed in high temperature particle solar power plants. However, ambient temperature testing of bimodal particle distributions has revealed a superior thermal conductivity when compared to its unimodal counterpart at the same temperature. This data was obtained by certified, off-the-shelf instruments that can effectively simulate the conditions a particle would be exposed to in a high temperature solar thermal system. Data obtained in this way suggests that the increased thermal conductively imputed by a bimodal particle distribution is significant at working temperatures in solar facilities. Furthermore, the thermal conductivity of these bimodal particle distributions peaks when the best combination of large and small particles is applied. At high temperatures, binary particle distributions are compared to monodispersed distributions of larger particles where heat transfer is more prolific due to the increased surface radiation. Various thermal conductivity, porosity and heat exchanger models are explored in conjunction with data acquired up to 700 C.

Stout, Dallin (ORCID:0009000294586091)↗

DOE OSTI2015

Measurement of charm and beauty production at central rapidity versus charged-particle multiplicity in proton-proton collisions at $ \sqrt{s}=7 $ TeV

Prompt D meson and non-prompt J/ψ yields are studied as a function of the multiplicity of charged particles produced in inelastic proton-proton collisions at a centre-of-mass energy of √s = 7 TeV. The results are reported as a ratio between yields in a given multiplicity interval normalised to the multiplicity-integrated ones (relative yields). They are shown as a function of the multiplicity of charged particles normalised to the average value for inelastic collisions (relative charged-particle multiplicity). D 0 , D + and D *+ mesons are measured in five p T intervals from 1 GeV/c to 20 GeV/c and for |y| < 0.5 via their hadronic decays. The D-meson relative yield is found to increase with increasing charged-particle multiplicity. For events with multiplicity six times higher than the average multiplicity of inelastic collisions, a yield enhancement of a factor about 15 relative to the multiplicity-integrated yield in inelastic collisions is observed. The yield enhancement is independent of transverse momentum within the uncertainties of the measurement. The D0-meson relative yield is also measured as a function of the relative multiplicity at forward pseudo-rapidity. The non-prompt J/ψ, i.e. the B hadron, contribution to the inclusive J/ψ production is measured in the di-electron decay channel at central rapidity. It is evaluated for p T > 1.3 GeV/c and |y| < 0.9, and extrapolated to p T > 0. The fraction of non-prompt J/ψ in the inclusive J/ψ yields shows no dependence on the charged-particle multiplicity at central rapidity. Charm and beauty hadron relative yields exhibit a similar increase with increasing charged-particle multiplicity. The measurements are compared to PYTHIA 8, EPOS 3 and percolation calculations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2017

Nanoscale imaging of alteration layers of corroded international simple glass particles using ToF-SIMS

Glass particles with dimensions typically ranging from tens to hundreds of microns are often used in glass corrosion research in order to accelerate testing. Two-dimensional and three-dimensional nanoscale imaging techniques are badly needed to characterize the alteration layers at the surfaces of these corroded glass particles. Time-of-flight secondary ion mass spectrometry (ToF-SIMS) can provide a lateral resolution as low as ~100 nm, and, compared to other imaging techniques, is sensitive to elements lighter than carbon. In this work, we used ToF-SIMS to characterize the alteration layers of corroded international simple glass (ISG) particles. At most particle surfaces, inhomogeneous or no alteration layers were observed, indicating that the thickness of the alterations layers may be too thin to be observable by ToF-SIMS imaging. Relatively thick (e.g., 1-10 microns) alteration layers were inhomogeneously distributed at a small portion of surfaces. More interestingly, some large-size (tens of microns) glass particles were fully altered. Above observations suggest that weak attachment and the defects on ISG particle surfaces play an important role in ISG glass corrosion.

alteration layer↗

DOE OSTI2014

MnBi particles with high energy density made by spark erosion

We report on the properties of low-temperature phase (LTP)-MnBi particles produced by the rapid-quenching technique of spark-erosion. The as-prepared powder consists of amorphous, crystalline, and superparamagnetic particles, mostly as porous aggregates. The major fraction of the powder consists of 20–30 nm particles. A short anneal crystallizes the amorphous particles producing a high moment, >90% of theoretical M{sub S}, albeit with H{sub C} of a few kOe. If lightly milled, the agglomerates are broken up to yield H{sub C} of 1 T. These findings are supported by the x-ray diffraction pattern showing broadened peaks of the predominant LTP-MnBi phase. The combination of spark erosion, milling, and annealing has produced randomly oriented particles with (BH){sub MAX} ∼ 3.0 MGOe. The particles are expected to show record energy product when aligned along their crystallographic easy axes.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Compressible pairwise interaction extended point-particle model for force prediction of shock-particle bed interaction

We propose a pairwise influence framework for the complex unsteady compressible particle-laden flow problem by accounting for the scattered hydrodynamic waves emitting from neighboring particles in a Euler-Lagrange simulation. It has been observed from particle-resolved (PR) simulations of randomly dispersed particle beds under a loading shock that the compressible pseudoturbulence dominates the flow system even after the primary shock has passed, which causes fluctuations observed in the forces experienced by the particle. Moreover, the fact that each particle exists in the vicinity of a random arrangement of other particles modifies the time history of the drag force experienced by each particle during and after the passage of the shock. First, the scattering flow field due to an incoming shock interacting with a single sphere is constructed using an analysis of the flow in the acoustic limit. Then we examine the validity of the compressible Maxey-Riley-Gatignol force model by comparing the force prediction against a PR simulation of two interacting particles for various particle arrangements and incoming shock strength. Subsequently, the neighboring influences are stored as a library of maps that can be used readily in the calculation of the perturbation force. Lastly, the pairwise interaction assumption is evaluated by comparing the force predicted with the model with PR simulations of a randomly packed particle bed of 10% volume fraction for both water and air as the fluid medium for an incoming shock Mach number 1.22. With a considerably lower cost for the implementation of the model compared to PR simulations, it is verified that the model is reasonably accurate in pinpointing particles whose peak force is significantly larger or smaller than the mean drag but also to capture the prolonged fluctuations after the initial shock.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2017

Modelling and validation of particle size distributions of supported nanoparticles using the pair distribution function technique

The particle size of supported catalysts is a key characteristic for determining structure–property relationships. It is a challenge to obtain this information accurately and in situ using crystallographic methods owing to the small size of such particles (<5 nm) and the fact that they are supported. In this work, the pair distribution function (PDF) technique was used to obtain the particle size distribution of supported Pt catalysts as they grow under typical synthesis conditions. The PDF of Pt nanoparticles grown on zeolite X was isolated and refined using two models: a monodisperse spherical model (single particle size) and a lognormal size distribution. The results were compared and validated using scanning transmission electron microscopy (STEM) results. Both models describe the same trends in average particle size with temperature, but the results of the number-weighted lognormal size distributions can also accurately describe the mean size and the width of the size distributions obtained from STEM. Since the PDF yields crystallite sizes, these results suggest that the grown Pt nanoparticles are monocrystalline. This work shows that refinement of the PDF of small supported monocrystalline nanoparticles can yield accurate mean particle sizes and distributions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Numerical exploration of three relativistic particles in a finite volume including two-particle resonances and bound states

In this work, we use an extension of the quantization condition, given in ref. [1], to numerically explore the finite-volume spectrum of three relativistic particles, in the case that two-particle subsets are either resonant or bound. The original form of the relativistic three-particle quantization condition was derived under a technical assumption on the two- particle K matrix that required the absence of two-particle bound states or narrow two- particle resonances. Here we describe how this restriction can be lifted in a simple way using the freedom in the definition of the K-matrix-like quantity that enters the quantization condition. With this in hand, we extend previous numerical studies of the quantization condition to explore the finite-volume signature for a variety of two- and three-particle interactions. We determine the spectrum for parameters such that the system contains both dimers (two-particle bound states) and one or more trimers (in which all three particles are bound), and also for cases where the two-particle subchannel is resonant. We also show how the quantization condition provides a tool for determining infinite-volume dimer- particle scattering amplitudes for energies below the dimer breakup. We illustrate this for a series of examples, including one that parallels physical deuteron-nucleon scattering. All calculations presented here are restricted to the case of three identical scalar particles.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Toward particle-resolved accuracy in Euler–Lagrange simulations of multiphase flow using machine learning and pairwise interaction extended point-particle (PIEP) approximation

This study presents two different machine learning approaches for the modeling of hydrodynamic force on particles in a particle-laden multiphase flow. Results from particle-resolved direct numerical simulations (PR-DNS) of flow over a random array of stationary particles for eight combinations of particle Reynolds number (Re) and volume fraction (φ) are used in the development of the models. The first approach follows a two-step process. In the first flow prediction step, the perturbation flow due to a particle is obtained as an axisymmetric superposable wake using linear regression. In the second force prediction step, the force on a particle is evaluated in terms of the perturbation flow induced by all its neighbors using the generalized Faxén form of the force expression. In the second approach, the force data on all the particles from the PR-DNS simulations are used to develop an artificial neural network (ANN) model for direct prediction of force on a particle. Due to the unavoidable limitation on the number of fully resolved particles in the PR-DNS simulations, direct force prediction with the ANN model tends to over-fit the data and performs poorly in the prediction of test data. In contrast, due to the millions of grid points used in the PR-DNS simulations, accurate flow prediction is possible, which then allows accurate prediction of particle force. This hybridization of multiphase physics and machine learning is particularly important, since it blends the strength of each, and the resulting pairwise interaction extended point-particle model cannot be developed by either physics or machine learning alone.

42 ENGINEERING↗

DOE OSTI2022

Asphericity Can Cause Nonuniform Lithium Intercalation in Battery Active Particles

Uniform intercalation is desired to enable next-generation Li-ion batteries. While we expect nonuniformity in materials undergoing a phase change, single-phase intercalation materials such as nickel manganese cobalt oxide are believed to lithiate uniformly at the particle/electrolyte interface. However, recent imaging reveals nonuniform lithiation. Motivated by this discrepancy, we examine if aspherical particle shape can cause such nonuniformity since the conventional belief is based on spherical particle theory. We obtain real particle geometries using rapid lab-based X-ray computed tomography and subsequently perform physics-based calculations accounting for electrochemical reactions at the particle/electrolyte interface and lithium transport inside the particle bulk. The aspherical geometry breaks the symmetry and causes nonuniform reaction distribution. Such nonuniformity is exacerbated as the particle becomes more aspherical. We report the proposed mechanism represents a fundamental limit on achievable lithiation uniformity in aspherical particles in the absence of other mechanisms causing inhomogeneity, such as grain structure, nonuniform carbon-binder coating, etc.

25 ENERGY STORAGE↗

DOE OSTI2020

A numerical study of particle jetting in a dense particle bed driven by an air-blast

In this work, the particle jetting behavior in a blast-driven dense particle bed is studied at early times. Four-way coupled Euler–Lagrange simulations are performed using a high-order discontinuous Galerkin spectral element solver coupled with a high-order Lagrangian particle solver, wherein the inter-particle collisions are resolved using a discrete element method collision model. Following the experiments of Rodriguez et al. [“Formation of particle jetting in a cylindrical shock tube,” Shock Waves 23(6), 619–634 (2013)] and the simulations of Osnes et al. [“Numerical simulation of particle jet formation induced by shock wave acceleration in a Hele-Shaw cell,” Shock Waves 28(3), 451–461 (2018)], the simulations are performed in a quasi-two-dimensional cylindrical geometry (Hele-Shaw cell). Parametric studies are carried out to assess the impact of the coefficient of restitution and the strength of the incident shock on the particle jetting behavior. The deposition of vorticity through a multiphase (gas–particle) analog of Richtmyer–Meshkov instability is observed to play a crucial role in channeling the particles into well-defined jets at the outer edge of the particle bed. This is confirmed by the presence of vortex pairs around the outer jets. Furthermore, the effect of the relaxation of the relative velocity between the two phases on the vorticity generation is explored by analyzing the correlation between the radial velocity of particles and the radial velocity of the gas at the particle location.

42 ENGINEERING↗

DOE OSTI2025

Correlation of optical properties with particle size, morphology, and polymorph of fine- and nano-particle formulations of titanium dioxide powders

Titanium dioxide (TiO 2 ) particulates are known to exhibit different visible and infrared optical properties compared to the bulk material, showing strong dependence on particle size, crystal structure, and morphology. In this study, the optical properties, sizes, and morphologies of TiO 2 particles from two different sources (nano and fine powders) having a) nominally different particle sizes and b) various crystal polymorph mixture fractions are compared using a combination of single particle mass spectrometry, optical spectroscopies, and aerosol characterization methods. The nano sample was found to be largely particles of the anatase polymorph (88% by mass), while the fine sample was found to consist largely of rutile particles (95% by mass). Two distinct particle morphologies (fractal and compact) were found in each powder sample and could be identified and separated in-situ based on particle aerodynamic properties. The attenuation of near-infrared, visible and ultraviolet light by TiO 2 particles shows strong dependence on particle morphology. Furthermore, while the fine particles were found to have larger near-infrared (675–800 nm) extinction coefficients by mass than the nanoparticles, the reverse was true in the ultraviolet and visible regions (370–675 nm). However, for polydisperse particles with different sizes and shapes, the optical behaviors are not straightforward to directly correlate to a combination of physical parameters.

Lockwood, Schuyler P. [Pacific Northwest National ↗

DOE OSTI2015

Voltage-driven spin-transfer torque in a magnetic particle

We discuss a spin-transfer torque device, where the role of the soft ferromagnetic layer is played by a magnetic particle or a magnetic molecule, in weak tunnel contact with two spin polarized leads. We investigate if the magnetization of the particle can be manipulated electronically, in the regime where the critical current for magnetization switching is negligibly weak, which could be due to the reduced particle dimensions. Using master equation simulations to evaluate the effects of spin-orbit anisotropy energy fluctuations on spin-transfer, we obtain reliable reading and writing of the magnetization state of such magnetic particle, and find that the device relies on a critical voltage rather than a critical current. The critical voltage is governed by the spin-orbit energy shifts of discrete levels in the particle. This finding opens a possibility to significantly reduce the power dissipation involved in spin-transfer torque switching, by using very small magnetic particles or molecules.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗