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All sourcesNASA NTRSDOE OSTI
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 ↗
NASA NTRS2001

Correlation Between Cirrus Particle Optical Properties: Microphysics and Implications for Spaceborne Remote Sensing

Cirrus measurements obtained with a ground-based polarization Raman lidar at 67.9 deg N in arctic winter reveal a strong correlation between the particle optical properties, specifically depolarization ratio and extinction-to-backscatter ratio, for ambient cloud temperatures above approximately -45 C, and an anti-correlation for colder temperatures. Similar correlations are evident in a 2-year midlatitude (53.4 deg N) cirrus data set. Scattering calculations show that the observed dependences can be interpreted in terms of the shapes and sizes of the cirrus ice particles. These findings suggest a retrieval method for determining cirrus extinction profiles from spaceborne lidar polarization data.

Reichardt, Jens↗
NASA NTRS1981

Mineralogical, optical, geochemical, and particle size properties of four sediment samples for optical physics research

X-ray diffraction and spectroscopy were used to investigate the mineralogical and chemical properties of the Calvert, Ball Old Mine, Ball Martin, and Jordan Sediments. The particle size distribution and index of refraction of each sample were determined. The samples are composed primarily of quartz, kaolinite, and illite. The clay minerals are most abundant in the finer particle size fractions. The chemical properties of the four samples are similar. The Calvert sample is most notably different in that it contains a relatively high amount of iron. The dominant particle size fraction in each sample is silt, with lesser amounts of clay and sand. The indices of refraction of the sediments are the same with the exception of the Calvert sample which has a slightly higher value.

Bice, K.↗
NASA NTRS2016

How We Can Constrain Aerosol Type Globally

In addition to aerosol number concentration, aerosol size and composition are essential attributes needed to adequately represent aerosol-cloud interactions (ACI) in models. As the nature of ACI varies enormously with environmental conditions, global-scale constraints on particle properties are indicated. And although advanced satellite remote-sensing instruments can provide categorical aerosol-type classification globally, detailed particle microphysical properties are unobtainable from space with currently available or planned technologies. For the foreseeable future, only in situ measurements can constrain particle properties at the level-of-detail required for ACI, as well as to reduce uncertainties in regional-to-global-scale direct aerosol radiative forcing (DARF). The limitation of in situ measurements for this application is sampling. However, there is a simplifying factor: for a given aerosol source, in a given season, particle microphysical properties tend to be repeatable, even if the amount varies from day-to-day and year-to-year, because the physical nature of the particles is determined primarily by the regional environment. So, if the PDFs of particle properties from major aerosol sources can be adequately characterized, they can be used to add the missing microphysical detail the better sampled satellite aerosol-type maps. This calls for Systematic Aircraft Measurements to Characterize Aerosol Air Masses (SAM-CAAM). We are defining a relatively modest and readily deployable, operational aircraft payload capable of measuring key aerosol absorption, scattering, and chemical properties in situ, and a program for characterizing statistically these properties for the major aerosol air mass types, at a level-of-detail unobtainable from space. It is aimed at: (1) enhancing satellite aerosol-type retrieval products with better aerosol climatology assumptions, and (2) improving the translation between satellite-retrieved aerosol optical properties and species-specific aerosol mass and size that are tracked in aerosol transport and climate models used to assess aerosol forcing and its anthropogenic components. This presentation will summarize where we stand on the development of the SAM-CAAM concept.

DARF↗
NASA NTRS1991

A global data set of soil particle size properties

A standardized global data set of soil horizon thicknesses and textures (particle size distributions) was compiled. This data set will be used by the improved ground hydrology parameterization designed for the Goddard Institute for Space Studies General Circulation Model (GISS GCM) Model 3. The data set specifies the top and bottom depths and the percent abundance of sand, silt, and clay of individual soil horizons in each of the 106 soil types cataloged for nine continental divisions. When combined with the World Soil Data File, the result is a global data set of variations in physical properties throughout the soil profile. These properties are important in the determination of water storage in individual soil horizons and exchange of water with the lower atmosphere. The incorporation of this data set into the GISS GCM should improve model performance by including more realistic variability in land-surface properties.

Webb, Robert S.↗
NASA NTRS1998

Scaling Properties of Particle Density Fields Formed in Simulated Turbulent Flows

Direct numerical simulations (DNS) of particle concentrations in fully developed 3D turbulence were carried out in order to study the nonuniform structure of the particle density field. Three steady-state turbulent fluid fields with Taylor microscale Reynolds numbers (Re(sub lambda)) of 40, 80 and 140 were generated by solving the Navier-Stokes equations with pseudospectral methods. Large scale forcing was used to drive the turbulence and maintain temporal stationarity. The response of the particles to the fluid was parameterized by the particle Stokes number St, defined as the ratio of the particle's stopping time to the mean period of eddies on the Kolmogorov scale (eta). In this paper, we consider only passive particles optimally coupled to these eddies (St approx. = 1) because of their tendency to concentrate more than particles with lesser or greater St values. The trajectories of up to 70 million particles were tracked in the equilibrated turbulent flows until the particle concentration field reached a statistically stationary state. The nonuniform structure of the concentration fields was characterized by the multifractal singularity spectrum, f(alpha), derived from measures obtained after binning particles into cells ranging from 2(eta) to 15(eta) in size. We observed strong systematic variations of f(alpha) across this scale range in all three simulations and conclude that the particle concentration field is not statistically self similar across the scale range explored. However, spectra obtained at the 2(eta), 4(eta), and 8(eta) scales of each flow case were found to be qualitatively similar. This result suggests that the local structure of the particle concentration field may be flow-Independent. The singularity spectra found for 2n-sized cells were used to predict concentration distributions in good agreement with those obtained directly from the particle data. This Singularity spectrum has a shape similar to the analogous spectrum derived for the inertial-range energy dissipation fields of experimental turbulent flows at Re(sub lambda) = 110 and 1100. Based on this agreement, and the expectation that both dissipation and particle concentration are controlled by the same cascade process, we hypothesize that singularity spectra similar to the ones found in this work provide a good characterization of the spatially averaged statistical properties of preferentially concentrated particles in higher Re(sub lambda) turbulent flows.

Hogan, Robert C.↗
NASA NTRS2002

Correlations among the Optical Properties of Cirrus-Cloud Particles: Microphysical Interpretation

Cirrus measurements obtained with a ground-based polarization Raman lidar at 67.9 deg N in January 1997 reveal a strong positive correlation between the particle optical properties, specifically depolarization ratio delta(sub par) and extinction- to-backscatter (lidar) ratio S, for delta(sub par) less than approximately 40%, and an anti-correlation for delta(sub par) greater than approximately 40%. Over the length of the measurements the particle properties vary systematically. Initially, delta (sub par) approximately equals 60% and S approximately equals 10sr are observed. Then, with decreasing delta(sub par), S first increases to approximately 27sr (delta(sub par) approximately equals 40%) before decreasing to values around 10sr again (delta(sub par) approximately equals 20%). The analysis of lidar humidity and radiosonde temperature data shows that the measured optical properties stem from scattering by dry solid ice particles, while scattering by supercooled droplets, or by wetted or subliming ice particles can be excluded. For the microphysical interpretation of the lidar measurements, ray-tracing computations of particle scattering properties have been used. The comparison with the theoretical data suggests that the observed cirrus data can be interpreted in terms of size, shape, and, under the assumption that the lidar measurements of consecutive cloud segments can be mapped on the temporal development of a single cloud parcel moving along its trajectory, growth of the cirrus particles: Near the cloud top in the early stage of cirrus development, light scattering by nearly isometric particles that have the optical characteristics of hexagonal columns (short, column-like particles) is dominant. Over time the ice particles grow, and as the cloud base height extends to lower altitudes characterized by warmer temperatures they become morphologically diverse. For large S and depolarization values of approximately 40%, the scattering contributions of column- and plate-like particles are roughly the same. In the lower ranges of the cirrus clouds, light scattering is predominantly by plate-like ice particles. This interpretation assumes random orientation of the cirrus particles. Simulations with a simple model suggest, however, that the positive correlation between S and delta(sub par) which is observed for depolarization ratios less than 40% mainly at low cloud altitudes, can be alternatively explained by horizontal alignment of a fraction of the cirrus particle population.

Reichardt, J.↗
NASA NTRS1994

Planetary Rings

Just over two decades ago, Jim Pollack made a critical contribution to our understanding of planetary ring particle properties, and resolved a major apparent paradox between radar reflection and radio emission observations. At the time, particle properties were about all there were to study about planetary rings, and the fundamental questions were, why is Saturn the only planet with rings, how big are the particles, and what are they made of? Since then, we have received an avalanche of observations of planetary ring systems, both from spacecraft and from Earth. Meanwhile, we have seen steady progress in our understanding of the myriad ways in which gravity, fluid and statistical mechanics, and electromagnetism can combine to shape the distribution of the submicron-to-several-meter size particles which comprise ring systems into the complex webs of structure that we now know them to display. Insights gained from studies of these giant dynamical analogs have carried over into improved understanding of the formation of the planets themselves from particle disks, a subject very close to Jim's heart. The now-complete reconnaissance of the gas giant planets by spacecraft has revealed that ring systems are invariably found in association with families of regular satellites, and there is ark emerging perspective that they are not only physically but causally linked. There is also mounting evidence that many features or aspects of all planetary ring systems, if not the ring systems themselves, are considerably younger than the solar system

Cuzzi, Jeffrey N.↗
DOE OSTI2026

The Influence of Shallow Subsurface Properties on Particle Motion in Acoustic-Seismic Coupling

Atmospheric acoustic waves transmit energy into the solid Earth through air-to-ground coupling. These waves are recorded by seismic sensors and provide insight into both atmospheric phenomena and subsurface properties. Interpreting these signals is often challenging because they are modulated by subsurface structure and the incidence angle of the acoustic wave. This study examines acoustic--seismic coupling generated by the 2012 Camp Minden Explosion, which was recorded by hundreds of seismoacoustic stations. We apply a novel technique to quantify the seismic particle motion, model coupled waves with a propagator matrix approach, and apply a Bayesian inversion to infer properties of the shallow subsurface. Our analysis reveals that prograde motion is widespread and focused in low shear-wave velocity regions, such as the Mississippi Embayment, and retrograde motion is more common in higher shear-velocity areas. Inversion results at some stations produce plausible subsurface models with strong waveform fits, while inversions at other sites are less successful. These results indicate prograde particle motion in air-to-ground coupled waves is more prevalent than previously recognized and may serve as a diagnostic for shallow velocity structure. Our comprehensive modeling and inversion framework provides a potential method to extract layered near-surface properties from acoustic-seismic coupling observations.

58 GEOSCIENCES↗
DOE OSTI2022

The Impacts of Single-Scattering and Microphysical Properties of Ice Particles Smaller Than 100 µm on the Bulk Radiative Properties of Tropical Cirrus

There are large uncertainties in the single-scattering (i.e., morphologies) and microphysical (i.e., concentrations) properties of ice particles whose size are less than ~100 µm. Insufficient resolutions of the most advanced cloud probes (e.g., cloud particle imager) cannot resolve the micrometer-scale morphologies of small ice particles. Further, the shattering of large ice particles on probes’ inlets or tips causes uncertainties in the measurement of the concentrations of small ice particles. These uncertainties have large impacts on the single-scattering and microphysical properties of small ice particles that are utilized to quantify the bulk radiative properties of cirrus. In this study, the impacts of uncertainties in the morphologies and concentrations of small ice particles on the bulk radiative properties of tropical cirrus were calculated using measurements acquired during the Tropical Warm Pool-International Cloud Experiment. Five different models (i.e., budding Buckyball, Chebyshev particle, droxtal, Gaussian random sphere, and sphere) that represent the shapes of small ice particles were used to calculate the single-scattering properties. The bulk radiative properties, average phase-function ($\overline{P_{11}}$), and average asymmetry parameter ($\overline{g}$) were computed by combining the measured size/habit distributions and the calculated single-scattering properties of ice particles. The impacts of the selection of varying morphologies of small particles on the bulk radiative properties were quantified. For these calculations, the possible range of the concentrations of small ice particles which depend on the degree of shattered large particles were also used. The impacts of varying the single-scattering properties of small ice particles on the bulk radiative properties were the largest in the upper parts of cirrus (T < –60 °C), while they were the smallest in the lower parts of cirrus (–45 < T < –30 °C). The impacts of uncertainties in the concentrations of small ice particles on the bulk radiative properties were largest in the lower parts of cirrus (–45 < T < –30 °C), whereas they were smallest in the upper parts of cirrus (T < –60 °C). The effect of shattering was maximum in the lower parts of cirrus, whilst it was minimum in the upper parts of cirrus. The combined impacts of uncertainties in the single-scattering (i.e., morphologies) and microphysical (i.e., concentrations) properties of small ice particles revealed variations of up to 11.2% (127.1%; 67.3%) of the integrated intensity in the forward (sideward; backward) angles in $\overline{P_{11}}$ and a corresponding change in $\overline{g}$ by up to 12.61%.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1999

Constraining the Global, Cloud-Free Reflected Solar Radiation Flux (RSRF) with Earth Observing System (EOS) Instruments

Variations in the top-of-atmosphere reflected solar radiation flux, and in the factors that determine its value, are among the most important diagnostic indicators of changes in Earth's energy balance. Data from the MISR (Multi-angle Imaging SpectroRadiometer), MODIS (Moderate-resolution Imaging Spectroradiometer), SAGE-3 (Stratospheric Aerosol and Gas Experiment), and CERES (Clouds and Earth's Radiant Energy System), all of which are spacecraft instruments scheduled for launch in 1999, will each constrain pieces of the RSRF budget. Prior to launch, we are performing studies to determine the sensitivity of these instruments to key factors that influence the cloud-free RSRF: aerosol optical depth, aerosol scattering properties, and surface visible bidirectional reflectance distribution function (BRDF). We are also assessing the ability of the aggregate of instruments to constrain the overall RSRF budget under natural conditions over the globe. Consider the MISR retrieval of aerosols: according to simulations over cloud-free, calm ocean, for pure particles with natural ranges of optical depth, particle size, and indices of refraction, MISR can retrieve column aerosol optical depth for all but the darkest particles, to an uncertainty of at most 0.05 or 20%, whichever is larger, even if the particle properties are poorly known. For one common particle type, soot, constraints on the optical depth over dark ocean are very poor. The simulated measurements also allow us to distinguish spherical from non-spherical particles, to separate two to four compositional groups based on indices of refraction, and to identify three to four distinct size groups between 0. 1 and 2.0 microns characteristic radius at most latitudes. Based on these results, we expect to distinguish air masses containing different aerosol types, routinely and globally, with multiangle remote sensing data. Such results far exceed current satellite aerosol retrieval capabilities, which provide only total optical depth for assumed particle properties; the new information will complement in situ data, which give details about aerosol size and composition locally. In addition, our team is using climatologies that reflect the constraints each instrument is expected to provide, along with ERBE (Earth Radiation Budget Experiment) data and a radiative transfer code, to study overall sensitivity to RSRF, helping us prepare for similar studies with new data from the EOS-era instruments.

Kahn, Ralph↗
DOE OSTI2023

Improving parameterization of ice microphysical processes in Arctic clouds using a synergistic modeling and observational approach (Final Report)

The primary goals of the project were to: 1) Improve the fundamental quantitative models of ice growth processes using ARM radar observations. 2) Better understand the growth of ice particle populations through vapor deposition, riming, and aggregation in Arctic clouds using a new particle-property microphysical model. 3) Robustly estimate and constrain key unknown model parameters using ARM radar observations combined with the particle-property model to develop an improved parameterization of ice growth processes for traditional bulk parameterizations used in cloud and climate models.

58 GEOSCIENCES↗
DOE OSTI2024

A generalized analytical energy balance model for evaluating agglomeration from a binary collision of wet particles

Agglomeration of wet particles, i.e., particles coated with a thin liquid layer, is a common phenomenon in many processes like fluidized bed combustion of low rank fuels. The availability of an agglomeration model that can evaluate the outcome of a binary collision between wet particles differing in solid particle properties, liquid layer thicknesses, and initial collision (impact) speeds is essential for obtaining a comprehensive understanding on the existing processes experiencing wet particle agglomeration or for a successful development of new processes with high chances of wet particle agglomeration. This study presents a generalized agglomeration model on the basis of energy conservation before and after collision when colliding wet particles may differ in solid particle properties, liquid layer thicknesses, and impact speeds. The model was established based on the approximate values of energy losses that may happen during the collision. It incorporates body forces, solid-solid contacting, liquid capillary, and viscous contributions, as well as the liquid bridge volume effect. Predictions of the new model for collision outcomes of identical wet particles were like those from an analytical energy balance model developed recently by the group for identical wet particles. We also validated the new model by experimental data from literature. The results of a collision direction analysis indicated that the direction often has a minimal effect on the collision outcome in many practical scenarios. The results of Monte Carlo uncertainty analyses with the new model revealed that proper estimations of impact speed, under capillary limiting conditions, and thickness of coating layers and asperity heights, under viscous limiting conditions, are critical for the realistic prediction of collision outcomes at impact speeds close to critical impact speed, i.e., the minimum particle speed required for the particles to rebound.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Predictive models enhance feedstock quality of corn stover via air classification

Feedstock heterogeneity is a fundamental obstacle to cost-competitive biobased products. Agricultural products like corn stover have anatomical components that vary in their chemical composition, mechanical properties, structure, and response to chemical and biological treatments. A technique that can enrich streams in select anatomical fractions would allow a tailored deconstruction approach to increase overall process efficiency. Air classification can be leveraged for such refining, however, fundamental characterization and understanding of the particle properties that underly the physics of air classification are only modestly documented. Here, we determine fundamental particle properties including mass-to-area ratio, drag coefficient, and partition velocity that describe how anatomical tissues of corn stover behave during air classification. In this work, mass-to-area ratios of anatomical tissues vary by nearly two orders of magnitude from 2.3 mg/mm 2 for cob to 0.04 mg/mm 2 for leaf. Drag coefficients of longer, fibrous materials (i.e., rind, husk, and sheath) are shown to correlate with particle area (p-value < 0.001) whereas granular tissues (i.e., cob, pith, and leaf) correlate better with mass-to-area ratio (p-values < 0.001). When compared to experimental observations, a simulated two-stage air classification and size reduction scenario predicts the overall partitioning of anatomical tissues within 15% for pith, husk, rind, and cob tissues. The model predicts an air-classified fraction preferentially enriched in cob (purity = 20%), rind (purity = 74%), and pith (purity = 4.5%) with a mass yield of 47%. Empirical relations for these properties can be used to predict the partitioning of corn stover during air classification based on anatomical type and size.

09 BIOMASS FUELS↗
NASA NTRS2013

Effects of Systematic and Random Errors on the Retrieval of Particle Microphysical Properties from Multiwavelength Lidar Measurements Using Inversion with Regularization

In this work we study the effects of systematic and random errors on the inversion of multiwavelength (MW) lidar data using the well-known regularization technique to obtain vertically resolved aerosol microphysical properties. The software implementation used here was developed at the Physics Instrumentation Center (PIC) in Troitsk (Russia) in conjunction with the NASA/Goddard Space Flight Center. Its applicability to Raman lidar systems based on backscattering measurements at three wavelengths (355, 532 and 1064 nm) and extinction measurements at two wavelengths (355 and 532 nm) has been demonstrated widely. The systematic error sensitivity is quantified by first determining the retrieved parameters for a given set of optical input data consistent with three different sets of aerosol physical parameters. Then each optical input is perturbed by varying amounts and the inversion is repeated. Using bimodal aerosol size distributions, we find a generally linear dependence of the retrieved errors in the microphysical properties on the induced systematic errors in the optical data. For the retrievals of effective radius, number/surface/volume concentrations and fine-mode radius and volume, we find that these results are not significantly affected by the range of the constraints used in inversions. But significant sensitivity was found to the allowed range of the imaginary part of the particle refractive index. Our results also indicate that there exists an additive property for the deviations induced by the biases present in the individual optical data. This property permits the results here to be used to predict deviations in retrieved parameters when multiple input optical data are biased simultaneously as well as to study the influence of random errors on the retrievals. The above results are applied to questions regarding lidar design, in particular for the spaceborne multiwavelength lidar under consideration for the upcoming ACE mission.

vertical profiles↗
DOE OSTI2023

One-Particle and Excitonic Band Structure in Cubic Boron Arsenide

Cubic BAs has received recent attention for its large electron and hole mobilities and large thermal conductivity. This is a rare and much desired combination in semiconductor industry: commercial semiconductors typically have high electron mobilities, or hole mobilities, or large thermal conductivities, but not all of them together. Here, in this paper, predictions from an advanced self-consistent many-body perturbative theory are reported and it is shown that with respect to one-particle properties, BAs is strikingly similar to Si. There are some important differences, notably there is an unusually small variation in the valence band masses. With respect to two-particle properties, significant differences with Si appear. The excitonic spectrum for both q = 0 and finite q is reported, and it is shown that while the direct gap in cubic BAs is about 4 eV, dark excitons can be observed down to about ≈1.5 eV, which may play a crucial role in application of BAs in optoelectronics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗