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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records

Developing Drag Models for Non-Spherical Particles through Machine Learning

The overarching goal of this project is to produce comprehensive experimental and numerical datasets for gas-solid flows in well-controlled settings to understand the aerodynamic drag of non-spherical particles in the dense regime. The datasets and the gained knowledge will be utilized to train deep neural networks in TensorFlow to formulate a general drag model for use directly in NETL MFiX-DEM module in order to help to advance the accuracy and prediction fidelity of the computational tools that will be used in designing and optimizing fluidized beds and chemical looping reactors.

42 ENGINEERING↗

Scattering by non-spherical particles of size comparable to a wavelength - A new semi-empirical theory

Mie theory, which is generally used to describe the scattering behavior of particles at a certain wavelength, is only rigorously correct for spherical particles. Particles found as atmospheric constituents, with the exception of cloud droplets, are, however, decidedly nonspherical. An investigation is, therefore, conducted regarding the significant ways in which the scattering behavior of irregularly shaped particles differs from that of spheres. A systematic method is formulated for treating the real scalar scattering behavior. A description is presented of a new semiempirical theory based on simple physical principles and data obtained in laboratory measurements, which successfully reproduces the single scattering phase function for a wide range of particle shapes, sizes, and refractive indices.

Pollack, J. B.↗

Scattering by non-spherical particles of size comparable to a wavelength - A new semi-empirical theory

An approximate method is proposed for evaluating the interaction of randomly oriented, nonspherical particles with the total intensity component of electromagnetic radiation. When the particle size parameter, x, the ratio of particle circumference to wavelength, is less than some upper bound x(o) (about 5), Mie theory is used. For x greater than x(o), the interaction is divided into three components: diffraction, external reflection, and transmission. Physical optics theory is used to obtain the first of these components; geometrical optics theory is applied to the second; and a simple parameterization is employed for the third. The predictions of this theory are found to be in very good agreement with laboratory measurements for a wide variety of particle shapes, sizes, and refractive indexes. Limitations of the theory are also noted.

Pollack, J. B.↗

Remote sensing estimates of cirrus particle size for tropical and midlatitude cirrus: Hexagonal crystals and ice spheres

A large discrepancy exists in current estimates of a mean cirrus particle size appropriate for calculations of the effects of these ice clouds on solar and thermal infrared radiative fluxes. For spheres with large size parameter (x = (2 pi r / lambda) is greater than 30, where r is particle radius), and moderate absorption (n(sup i) x less than 1, where n(sup i) is imaginary index of refraction for ice), the optimal effective particle radius is given by: r(sub e) = integral of r(exp 3)n(r)dr / integral of r(exp 2)n(r)dr. For the remote sensing of cirrus particle size at wavelengths of 0.83, 1.65, and 2.21 mu m, a 50 mu m ice sphere would have a size parameter of about 200, and values of n(sup i) x of 0, 0.045, and 0.06, satisfying the above conditions. However, while r(sub e) is a well-defined parameter for spheres, this cross-section area-weighted particle radius can only be extended to non-spherical particles by defining some equivalent sphere, typically an equivalent volume or equivalent cross-section area sphere. Using equivalent volume spheres, values of r(sub e) obtained over Lake Michigan on October 28, 1986, during FIRE phase I varied from 200 mu m (King Air 2D Imaging probes) to 60 mu m (Landsat reflectances at 0.83, 1.65, and 2.2 mu m), to 25 mu m (HIS spectrometer thermal emission between 8 and 12 mu m). Three major uncertainties were identified in this comparison: small ice particles missed by the 2D-C aircraft probes, uncertain ice refractive index, and uncertainties in the single scatter albedos and scattering phase functions used in the radiative calculations. Since the first FIRE cirrus results, advances have been made in all three areas. The present paper reports on improvements in the radiative modeling of ice particles at 0.83, 1.65, and 2.21 mu m wavelengths appropriate for comparisons to Landsat Thematic Mapper data. The paper also includes new results for Landsat observations of ice clouds in the eastern and western tropical Pacific.

Wielicki, Bruce A.↗

A High-Performance Discrete-Element Framework for Simulating Flow and Jamming of Moisture Bearing Biomass Feedstocks

We developed and verified a high-performance open-source discrete element method (DEM) solver with simultaneously-supported feedstock-specific interaction models, including bonded-sphere, liquid bridge, cohesion, and non-linear contact models. Our solver uses parallel data structures on hybrid central and graphics processing unit (CPU/GPU) architectures, with favorable strong scaling performance observed for large problem sizes comprised of (100 M particles), and 4X single-node GPU speedup. The particles for corn stover feedstock were conceptualized and calibrated based on experimental measurements and results. Sensitivity analyses demonstrate that the mass flow rate from a wedge hopper is governed primarily by moisture content, friction coefficient, and cohesion energy density. The model is used to reproduce experimentally observed hopper jamming results, highlighting that the experimental no-flow trends can only be achieved by using non-spherical particles, liquid bridge and cohesion models, highlighting the importance of using concurrent feedstock specialized models for the effective representation of biomass material handling problems.

bioenergy↗

CROCUS Dual Polarization Ceilometer Data at Northeastern Illinois University Rooftop

This dataset is from the Department of Energy Office of Science funded project, CROCUS Urban Integrated Field Laboratory (https://crocus-urban.org/). The dual-polarization ceilometer (Vaisala CL61) is an autonomous lidar system operating at 910 nm wavelength, providing valuable measurements for understanding atmospheric boundary layer evolution, air quality, and cloud-aerosol interactions. The CL61 measures the backscattered signal intensity alternating between parallel- and cross-polarization signals. The unique depolarization measurement capability improves discrimination between different particle types, such as liquid droplets, ice crystals, and aerosols. The depolarization is highly dependent on the scatterer shape and orientation (spherical vs non-spherical particles), with the linear depolarization ratio providing a measure of dominant backscatter signal component from atmospheric particles at various heights, essentially allowing discrimination between liquid and solid particles. With its efficient optical system, CL61’s improved signal-to-noise ratio compared to traditional ceilometers allows studying detailed vertical profiles of aerosols and clouds up to 15 km height.Datasets are stored in a netCDF data format, and we we encourage users to make use of the associated toolkits available from Unidata (https://www.unidata.ucar.edu/software/netcdf/), Project Pythia (https://foundations.projectpythia.org/core/data-formats/netcdf-cf.html), and our “Instrument Cookbooks” (https://crocus-urban.github.io/instrument-cookbooks) for more information on how to process the metadata-rich datasets.

54 ENVIRONMENTAL SCIENCES↗

Langevin Dynamics modeling of gas-phase ion-ion recombination (Final Technical Report)

A self-consistent trajectory simulation approach to model MN reactions (Fig. 1) which incorporates the probability of electron transfer as a Monte Carlo operator (Fig. 2) was developed and published as Liu et al. J. Chem. Phys. 159, 114111 (2023). The electron transfer probability p ET estimated using the two-state Landau-Zener (LZ) theory was incorporated into classical trajectory simulations to elicit predictions of MN reaction cross-section σ (vacuum) or rate constant β (finite pressure). Electronic structure calculations with multireference configuration interaction (MRCI) and large correlation consistent basis sets were used to derive inputs to the LZ theory. The key advance of our trajectory simulation approach is the incorporation of electron transfer probability and the inclusion of the effect of ion-neutral interactions on MN using a Langevin representation of the effect of neutral gas on ions. For H + – H - and Li + – H(D) - pairs, our approach quantitatively agrees with measured speed-dependent cross-sections for up to ~10 5 m/s. For the ion pair Ne + – Cl - , our predictions of the MN rate constant at ~1 torr are a factor of ~2 – 3 higher than the experimentally measured value. Similarly, for Xe + – F - in the pressure range of ~20000 – 80000 Pa, our predictions of the MN rate constant are ~20% lower but are in excellent qualitative agreement with experimental data. The paradigm of using trajectory simulations to self-consistently model MN reactions is the basis for inclusion of additional non-classical, and static magnetic and electric field effects. Subsequent work, published as Roy et al. focused on modeling recombination rate constant for three ion pairs (rare gas Ar + cation and halide anions): Ar + – Cl - , Ar + – Br - , Ar + – I - , 2) considering spin-orbit couplings in the electronic structure calculations to obtain high-fidelity estimates of the electron transfer probability and incorporated within the classical trajectory simulations to elicit predictions. In addition to calculations of ion-ion recombination rate constants, a classical trajectory simulation technique (published as Roy et al. J. Chem. Phys. 162(9), 094104 (2023)) that uses quaternions to represent orientation of non-spherical particles (ions or aerosol particles) was developed to simulate the recombination of diatomic or more generally, polyatomic molecules. Finally, several other ion pairs such as Ne + – Cl - , Kr + – Cl - , were explored using the developed semi-classical trajectory simulations to understand various challenges in tackling electronic structure calculations. Using empirical approaches to parameterize the electron transfer radius, trajectory simulations were also used to probe the effect of ion number density on MN rate constant.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The physical nature of Titan's aerosols: Laboratory simulations

The atmosphere of Titan is known to contain aerosols, as evidenced by the Voyager observations of at least three haze layers. Such aerosols can have significant effects on the reflection spectrum of Titan and on the chemistry and thermal structure of its atmosphere. To investigate some of these effects laboratory simulations of the chemistry of Titan's atmosphere have been done. The results of these studies show that photolysis of acetylene, ethylene, and hydrogen cyanide, known constituents of Titan's atmosphere, yields sub-micron sized spheres, with mean diameters ranging from 0.4 to 0.8 micron, depending on the pressures of the reactant gases. Most of the spheres are contained in near-linear aggregates. The formation of the aggregates is consistent with models of Titan's reflection spectrum and polarization, which are best fit with non-spherical particles. At room temperature, the particles are very sticky, but their properties at low temperatures on Titan are presently not known.

Scattergood, T. W.↗

Sensitivity of Multi-Angle Remote Sensing Observations to Aerosol Sphericity

Multi-angle, multi-spectral remote sensing observations, such as those anticipated from the Earth Observing System (EOS) Multi-angle Imaging SpectroRadiometer (MISR), can distinguish spherical from non-spherical particles over calm ocean for mineral-dust-like particles with the range of sizes and column amounts expected under natural conditions. The ability to make such distinctions is critical if remote sensing of atmospheric aerosol properties is to provide significant new contributions to our understanding of the global-scale, clear-sky solar radiation balance.

MISR aerosol aerosol properties↗

Multiple scattering effects on the Linear Depolarization Ratio (LDR) measured during CaPE by a Ka-band air-borne radar

Air-borne radar measurements of thunderstorms were made as part of the CaPE (Convection and Precipitation/Electrification) experiment in Florida in July 1991. The radar has two channels, X-band (10 GHz) and Ka-band (34.5 GHz), and is capable of measuring cross-polarized returns as well as co-polarized returns. In stratiform rain, the cross-polarized components can be observed only at the bright band region and from the surface reflection. The linear depolarization ratios (LDR's) measured at X-band and Ka-band at the bright band are nearly equal. In convective rain, however, the LDR in Ka-band often exceeds the X-band LDR by several dB, and sometimes by more than 10 dB, reaching LDR values of up to -5 dB over heavy convective rain. For randomly oriented hydrometeors, such high LDR values cannot be explained by single scattering from non-spherical scattering particles alone. Because the LDR by single backscatter depends weakly on the wavelength, the difference between the Ka-band and X-band LDR's suggests that multiple scattering effects prevail in the Ka-band LDR. In order to test this inference, the magnitude of the cross-polarized component created by double scattering was calculated using the parameters of the airborne radar, which for both frequencies has beamwidths of 5.1 degrees and pulse widths of 0.5 microsecond. Uniform rain beyond the range of 3 km is assumed.

Iguchi, Toshio↗

Fatigue behavior of low-cost, non-spherical Ti-6Al-4V powder processed via laser powder bed fusion

Hydride-dehydride Ti-6Al-4V powder with particle size distribution of 75–175 μm were used to manufacture fatigue samples. Optimized processing parameters were used to maintain a relative density of >99.5% in the samples. Fatigue tests were carried out in R = σ min /σ max = -1 condition under stresses ranging from 150 to 500 MPa and the results were compared to samples that were additively manufactured using spherical powders. The fatigue lives were similar between the two types of powder; i.e., powder morphology has no effect on fatigue performance. However, the high surface roughness and martensitic microstructure resulting from the laser powder bed fusion process result in poor performance compared to samples machined from conventionally produced materials. In conclusion, crack initiation occurred consistently from surface defects because of high surface roughness of the additively manufactured parts.

36 MATERIALS SCIENCE↗

Development and Evaluation of a General Drag Model for Gas-Solid Flows via Deep Learning

This project presents the development and evaluation of a general drag model for gas–solid multiphase flows using deep learning techniques. A comprehensive database of more than 4,000 experimental and numerical data points for spherical and non spherical particles was compiled, incorporating geometric features such as sphericity, aspect ratio, and orientation. Several predictive approaches—including traditional em pirical correlations, machine learning, and deep neural networks—were benchmarked, with the proposed Drag Coefficient Correlation-aided Deep Neural Network (DCC DNN) demonstrating superior accuracy. To account for particle–particle interactions, additional drag data were generated using CFD-based simulations of packed and flu idized beds, leading to the development of a retrained model capable of incorporat ing volume fraction effects. Integration of the trained model with the MFiX CFD solver was achieved using FTorch, enabling drag predictions during discrete element method (DEM) simulations. Validation against experimental data for single particles and fluidized beds confirmed the model’s improved predictive ability, particularly for non-spherical geometries. While the model performed strongly under fluidized con ditions, limitations remained in unfluidized regimes, suggesting a need for expanded datasets. Overall, this study demonstrates the feasibility of combining deep learning with physics-informed CFD to improve drag modeling for gas–solid flows, with promis ing implications for scaling multiphase simulations in industrial applications.

42 ENGINEERING↗

Effects of non-spherical drops on a phase Doppler spray analyzer

A phase/Doppler spray analyzer (P/DSA) and a laser imaging system was used to study the response of a P/DSA to nonspherical particles. Methanol particles with an aspect ratio ranging from 0.7 to 1.4 were used in this investigation. Results indicated that the P/DSA was quite sensitive to particle shape. A Berglund-Liu generator was used to produce particles of 98 microns (volumetric diameter). The P/DSA instrument measured particle sizes ranging from 142 microns for a particle of aspect ratio 0.7, to 84 microns for an aspect ratio of 1.4. Particle diameters based on averaged x and y diameters for the laser imaging system ranged from 95 microns to 92 microns over the same range of aspect ratios.

Alexander, D. R.↗

A Large-Particle Monte Carlo Code for Simulating Non-Linear High-Energy Processes Near Compact Objects

High-energy radiation processes in compact cosmic objects are often expected to have a strongly non-linear behavior. Such behavior is shown, for example, by electron-positron pair cascades and the time evolution of relativistic proton distributions in dense radiation fields. Three independent techniques have been developed to simulate these non-linear problems: the kinetic equation approach; the phase-space density (PSD) Monte Carlo method; and the large-particle (LP) Monte Carlo method. In this paper, we present the latest version of the LP method and compare it with the other methods. The efficiency of the method in treating geometrically complex problems is illustrated by showing results of simulations of 1D, 2D and 3D systems. The method is shown to be powerful enough to treat non-spherical geometries, including such effects as bulk motion of the background plasma, reflection of radiation from cold matter, and anisotropic distributions of radiating particles. It can therefore be applied to simulate high-energy processes in such astrophysical systems as accretion discs with coronae, relativistic jets, pulsar magnetospheres and gamma-ray bursts.

Stern, Boris E.↗

Light scattering by ice clouds in the visible and infrared - A theoretical study.

Computations of the intensity and linear polarization for single scattering by ice clouds have been made based on the assumption that the particles in ice clouds can be approximated by long circular cylinders which are allowed to be polydispersive as well as arbitrarily oriented in space. The results of two models of optically thin ice clouds are presented and compared with those for polydisperse ice spheres. The two models for ice cylinders are assumed to be either uniformly or randomly oriented in a horizontal plane. Four different wavelengths, 0.7, 3, 3.5 and 6.05 microns, are employed in the light scattering computations. It is found that, compared to ice spheres, long ice cylinders scatter more light in the region with scattering angles near 90 deg, at the expense of scattering in both the forward and backward directions. The glory and cloudbows, which occur in light scattered by spherical particles, are either lost (the glory) or largely reduced and distorted (the cloudbows in the case of cylinders). It is probable that for more irregular particles the cloudbows would also disappear. These differences in scattering by spherical and non-spherical scatterers therefore provide useful information for the differentiation between the ice and liquid phase of cloud particles.

Liou, K.-N.↗

Scattering Properties of Aggregate Particles

We are engaged in modeling the scattering and emitting properties of irregular particles with the goal of understanding the composition and structure of cometary dust particles.

discrete dipole approximation non-spherical monome↗

Spacecraft particulate sizing spectrometer

An evaluation prototype device is described, together with conclusions and several recommendations for follow-on flight hardware. The device detects individual particles crossing an external sensing zone, and produces a histogram displaying the size distribution of particles sensed, over the nominal range of 5 to 50 microns. The output is totally independent of the particle refractive index, and is also largely unaffected by particle shape. The reported diameters are in terms of the equivalent sphere, as judged by the scattered light intercepted by the receiving channels, which develop signals whenever a particle crosses the beam of illumination in the sensing zone. Supporting evidence for the latter assertion is discussed on the basis of experimental test data for non-spherical particulates. Also included is a technical appendix which presents theoretical arguments that provide a firm foundation for this assertion.

Miranda, Henry A., Jr.↗