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DOE OSTI2021

Labile Fe(III) supersaturation controls nucleation and properties of product phases from Fe(II)-catalyzed ferrihydrite transformation

We report Fe(II)-catalyzed ferrihydrite (Fh) transformation to more crystalline iron (oxyhydr)oxide phases is a widely occurring geochemical process which has been extensively studied as a function of Fe(II)/Fh ratios at fixed Fh loadings. However, recent isolation of an intermediate Fe(III) species resulting from Fe(II)-Fh contact that facilitates transformation by dissolution/reprecipitation suggests that the kinetics and properties of product phases will instead depend mostly on its rate of accumulation to a critical concentration, consistent with principles in the classical nucleation theory (CNT). This suggests a dependence both on the loading of Fe(II) on the surface, which controls the rate of labile Fe(III) formation, as well as the available volume of solution, which also impacts how fast it can achieve its critical concentration to nucleate product phases. To specifically examine the latter effect, here we studied transformation of 15 mg Fh in 1 mM FeSO 4 solutions at pH 7.2 in batch suspensions of 30 mL, 150 mL, and 450 mL volumes. Time-dependent concentrations of aqueous Fe(II), surface-associated Fe(II), and resulting labile Fe(III) were monitored along with bulk solids characterization as a function of time. Transmission electron microscopy (TEM) was used to visualize the evolution of phases at identical locations on TEM grids. The collective results show that the rates of Fh loss and emergence of product lepidocrocite (Lp) and goethite (Gt) as well as their phase proportions, nucleation mode and morphological properties depend directly on the rate of accumulation of the labile Fe(III) precursor to its critical concentration, which in our experiments was controlled simply by varying the available volume of solution into which it enters. Statistical analyses of TEM image data suggest that while both heterogeneous and homogeneous nucleation occurred in all experiments, the former was increasingly favored at lower Fh/solution ratio due to its lower nucleation barrier being more favorable at attendant lower supersaturations of Fe(III).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

The Post‐Perovskite Transition in Fe‐ and Al‐Bearing Bridgmanite: Effects on Seismic Observables

Abstract The primary phase of the Earth’s lower mantle, (Al, Fe)‐bearing bridgmanite, transitions to the post‐perovskite (PPv) phase at Earth’s deep mantle conditions. Despite extensive experimental and ab initio investigations, there are still important aspects of this transformation that need clarification. Here, we address this transition in (Al 3+ , Fe 3+ )‐, (Al 3+ )‐, (Fe 2+ )‐, and (Fe 3+ )‐bearing bridgmanite using ab initio calculations and validate our results against experiments on similar compositions. Consistent with experiments, our results show that the onset transition pressure and the width of the two‐phase region depend distinctly on the chemical composition: (a) Fe 3+ ‐, Al 3+ ‐, or (Al 3+ , Fe 3+ )‐alloying increases the transition pressure, while Fe 2+ ‐alloying has the opposite effect; (b) in the absence of coexisting phases, the pressure‐depth range of the Pv‐PPv transition is likely too broad to cause a sharp D” discontinuity (<30 km); (c) the average Clapeyron slope of the two‐phase regions are consistent with previous measurements, calculations in MgSiO 3 , and inferences from seismic data. In addition, (d) we observe a softening of the bulk modulus in the two‐phase region. The consistency between our results and experiments gives us the confidence to proceed and examine this transition in aggregates with different compositions computationally, which will be fundamental for resolving the most likely chemical composition of the D" region by analyses of tomographic images.

Geochemistry & Geophysics↗

DOE OSTI2021

Genome-resolved metagenomics reveals site-specific diversity of episymbiotic CPR bacteria and DPANN archaea in groundwater ecosystems

Abstract Candidate phyla radiation (CPR) bacteria and DPANN archaea are unisolated, small-celled symbionts that are often detected in groundwater. The effects of groundwater geochemistry on the abundance, distribution, taxonomic diversity and host association of CPR bacteria and DPANN archaea has not been studied. Here, we performed genome-resolved metagenomic analysis of one agricultural and seven pristine groundwater microbial communities and recovered 746 CPR and DPANN genomes in total. The pristine sites, which serve as local sources of drinking water, contained up to 31% CPR bacteria and 4% DPANN archaea. We observed little species-level overlap of metagenome-assembled genomes (MAGs) across the groundwater sites, indicating that CPR and DPANN communities may be differentiated according to physicochemical conditions and host populations. Cryogenic transmission electron microscopy imaging and genomic analyses enabled us to identify CPR and DPANN lineages that reproducibly attach to host cells and showed that the growth of CPR bacteria seems to be stimulated by attachment to host-cell surfaces. Our analysis reveals site-specific diversity of CPR bacteria and DPANN archaea that coexist with diverse hosts in groundwater aquifers. Given that CPR and DPANN organisms have been identified in human microbiomes and their presence is correlated with diseases such as periodontitis, our findings are relevant to considerations of drinking water quality and human health.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Photometric redshifts and intrinsic alignments: Degeneracies and biases in the 3 × 2 pt analysis

We present a systematic study of cosmological parameter bias in weak lensing and large-scale structure analyses for upcoming imaging surveys induced by the interplay of intrinsic alignments (IA) and photometric redshift (photo-z) model misspecification error. We first examine the degeneracies between the parameters of the tidal alignment–tidal torquing (TATT) model for IA and of a photo-z model including a mean shift ( Δ z ¯ ) and variance ( σ z ) for each tomographic bin of lenses and sources, under a variety of underlying true IA behaviors. We identify strong degeneracies between: (1) the redshift scaling of the tidal alignment amplitude and the mean shift and variances of source bins, (2) the redshift scaling of the tidal torquing amplitude and the variance of the lowest- z source bin, and (3) the IA source density weighting and the mean shift and variance of several source bins. We then use this information to guide our exploration of the level of cosmological parameter bias which can be induced given incorrect modeling of IA, photo-z, or both. We find that marginalizing over all the parameters of TATT is generally sufficient to preclude cosmological parameter bias in the scenarios we consider. However, this does not necessarily mean that IA and photo-z parameters are themselves unbiased, nor does it mean that the best-fit model is a good fit to the data. We also find scenarios where the inferred parameters produce χ d . o . f . 2 values indicative of a good fit but cosmological parameter bias is significant, particularly when the IA source density weighting parameter is not marginalized over. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Photometric Analyses of Saturn’s Small Moons: Aegaeon, Methone, and Pallene Are Dark; Helene and Calypso Are Bright

We examine the surface brightnesses of Saturn’s smaller satellites using a photometric model that explicitly accounts for their elongated shapes and thus facilitates comparisons among different moons. Analyses of Cassini imaging data with this model reveal that the moons Aegaeon, Methone, and Pallene are darker than one would expect given trends previously observed among the nearby mid-sized satellites. On the other hand, the trojan moons Calypso and Helene have substantially brighter surfaces than their co-orbital companions Tethys and Dione. These observations are inconsistent with the moons’ surface brightnesses being entirely controlled by the local flux of E-ring particles, and therefore strongly imply that other phenomena are affecting their surface properties. The darkness of Aegaeon, Methone, and Pallene is correlated with the fluxes of high-energy protons, implying that high-energy radiation is responsible for darkening these small moons. Meanwhile, Prometheus and Pandora appear to be brightened by their interactions with the nearby dusty F ring, implying that enhanced dust fluxes are most likely responsible for Calypso’s and Helene’s excess brightness. However, there are no obvious structures in the E ring that would preferentially brighten these two moons, so there must either be something subtle in the E-ring particles’ orbital properties that leads to asymmetries in the relevant fluxes, or something happened recently to temporarily increase these moons’ brightnesses.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1984

Aberrations of varied line-space grazing incidence gratings in converging light beams

Analyses of the imaging properties of several designs for varied-line space gratings in converging beams of light in grazing-incidence spectrometers are presented. An explicit model is defined for the case of a plane-reflection grating intercepting light that converges and is reflected to a stigmatic point associated with the zero-order image of the grating. Smooth spatial variation of the grating constant then permits aberration correction. The aberrations are expressed as polynomials in the grating lens coordinates using power series expansions. Application of the model is illustrated in terms of aberrations experienced with the short wavelength spectrometer on the EUVE satellite. Attention is given to straight and parallel in-plane grooves, curved groove in-plane designs and off-plane grooves. Aberrations due to dispersions and misalignment are also considered.

Hettrick, M. C.↗

NASA NTRS1986

The SIR-B observations of microwave backscatter dependence on soil moisture, surface roughness, and vegetation covers

An experiment was conducted from an L-band SAR aboard Space Shuttle Challenger in October 1984 to study the microwave backscatter dependence on soil moisture, surface roughness, and vegetation cover. The results based on the analyses of an image obtained at 21-deg incidence angle show a positive correlatlion between scattering coefficient and soil moisture content, with a sensitivity comparable to that derived from the ground radar measurements reported by Ulaby et al. (1978). The surface roughness strongly affects the microwave backscatter. A factor of two change in the standard deviation of surface roughness height gives a corresponding change of about 8 dB in the scattering coefficient. The microwave backscatter also depends on the vegetation types. Under the dry soil conditions, the scattering coefficient is observed to change from about -24 dB for an alfalfa or lettuce field to about -17 dB for a mature corn field. These results suggest that observations with a SAR system of multiple frequencies and polarizations are required to unravel the effects of soil moisture, surface roughness, and vegetation cover.

Wang, J. R.↗

NASA NTRS1988

HDO in the Martian atmosphere - Implications for the abundance of crustal water

A one-dimensional photochemical model is presently used to ascertain the nature of those chemical and physical processes of the Martian atmosphere responsible for the preferential escape of hydrogen over deuterium. A comparison of the present theoretical considerations with recent HDO observations indicates that Mars contains 0.2 m of (globally averaged) crustal water that is exchangeable with the atmosphere. This estimate, which is substantially lower than those obtained for Martian subsurface water on the basis of Viking image-derived geomorphological analyses, can be reconciled only if a small fration of the crustal water is exchangeable with the atmosphere.

Yung, Yuk L.↗

NASA NTRS1989

Radar scattering from desert terrains, Pisgah/Lavic Region, California: Implications for Magellan

A major component of the 1988 Mojave Field Experiment involved the simultaneous acquisition of quad-polarization multifrequency airborne Synthetic Aperture Radar (SAR) imaging radar data and ground measurements thought to be relevant to the radar scattering behavior of a variety of desert surfaces. In preparation for the Magellan mission to Venus, the experiment was designed to explore the ability of SAR to distinguish types of geological surfaces, and the effects of varying incidence angles on the appearance of such surfaces. The airborne SAR system acquired images at approx. 10 m resolution, at 3 incidence angles (30, 40, 50 degs) and at 3 wavelengths (P:68 cm, L:24 cm, C:5.6 cm). The polarimetric capabilities of the instrument allow the simulation of any combination of transmit and receive polarizations during data reduction. Calibrated trihedral corner reflectors were deployed within each scene to permit absolute radiometric calibration of the image data. Initial analyses of this comprehensive radar data set is reported, with emphasis on implications for interpretation of Magellan data.

Plaut, J. J.↗

NASA NTRS1991

Orbits of the six new satellites of Neptune

Orbital elements are presented for the six small satellites of Neptune, 1989N1 through 1989N6, discovered by Voyager 2. Details of the image and orbit analyses are examined. The solution for the orbits of the six satellites is presented in terms of geometric classical Keplerian elements. All six are in nearly circular direct orbits; most of the satellites have low inclinations, except the innermost, 1989N6, which is inclined at 4.7 deg to Neptune's equator.

Owen, W. M., Jr.↗

NASA NTRS1990

Supernovae - Some observational goals of the 21st century

Key issues pertaining to the study of supernovae are listed, and the characteristics of instruments for addressing the issues are discussed with reference given to the present status of supernova investigation. Understanding type-Ia supernovae requires study of the progenitor star, the isotopic composition of the ejecta, and the radiation transport. Issues relevant to type Ib's include identifying clumping and fragmentation in the model light curves and determining whether mixing occurs. Identifying progenitor stars and observing neutrino bursts are found to be keys to understanding the supernovae, and appropriate analyses include optical imaging, bolometry, spectroscopy, and most importantly, high-resolution IR imaging. Gamma- and X-ray studies are also important, and examples of suitable telescopes are listed; investigation of neutrinos requires an observatory away from terrestrial nuclear reactors.

Woosley, S. E.↗

NASA NTRS1997

The Galileo Tape Recorder Rewind Operation Anomaly

On October 11, 1995, the Galileo spacecraft executed a sequence to record three approach images of Jupiter on the spacecraft's tape recorder, rewind the tape, and play back the images at the appropriate data rate consistent with the downlink performance. The recording of the images was performed and the spacecraft computer commanded the tape recorder to rewind the tape to the beginning of the first image. The rewind command was started at the proper time but the tape never got to the beginning of the image data. The analyses and tests that followed allowed a conclusive determination of the failure mechanism and indicated a strategy that could be used to prevent the untimely demise of the mission.

Johnson, Michael R.↗

NASA NTRS1998

Effect of Pigmentation in Particulate Formation from Fluoropolymer Thermodegradation in Microgravity

Fires aboard spacecraft have occurred as a result of overheated electrical wires and thermodegradation of their insulation, which is composed of fluoropolymers. The particulate products of polymer thermodegradation are only 20-50 run in diameter and are thought to play a role in "polymer fume fever". Therefore an experimental study of the particulates produced by intense ohmic heating of various fluoropolymer-insulated 20 AWG copper wire (representative of spacecraft materials) was undertaken in normal gravity and in microgravity. The 2.2 s drop facility at NASA LeRC and 1.5 s drop facility at the Colorado School of Mines were used to achieve low gravity conditions. Thermophoretic sampling was used for particulate collection. Transmission electron microscopy (TEM) and scanning transmission electron microscopy (STEM) were used to characterize the smoke particulates. It was found that the color of PTFE (Polytetrafluoroethylene) insulation has an overwhelming effect on the size, shape, morphology and, composition of the particulates. Size distributions and shape analyses using computerized image analysis showed that particle size distributions were also dependent on the pigment of the fluoropolymer insulation. The influence of pigment was observed in experiments under both normal and microgravity. Under microgravity conditions, owing to the lack of natural convective transport of particulates, much more particle aggregation was observed, and the nature of the aggregates was dependent on the color of the insulation.

Srivastava, Rajiv↗

NASA NTRS2002

Apollo 14 Impact Glasses and Clementine Data: Implications for Regional Geology

Clementine color image data and analyses of 778 lunar impact glasses have been used together to suggest that the highlands of the Fra Mauro region consist of a KREEP-rich regolith overlying a feldspathic terrain. Low-KREEP impact glasses may possess a memory of impacts prior to 3.9 Ga ago. Additional information is contained in the original extended abstract.

Zellner, N. E. B.↗

NASA NTRS2010

Optical Imaging and Radiometric Modeling and Simulation

OPTOOL software is a general-purpose optical systems analysis tool that was developed to offer a solution to problems associated with computational programs written for the James Webb Space Telescope optical system. It integrates existing routines into coherent processes, and provides a structure with reusable capabilities that allow additional processes to be quickly developed and integrated. It has an extensive graphical user interface, which makes the tool more intuitive and friendly. OPTOOL is implemented using MATLAB with a Fourier optics-based approach for point spread function (PSF) calculations. It features parametric and Monte Carlo simulation capabilities, and uses a direct integration calculation to permit high spatial sampling of the PSF. Exit pupil optical path difference (OPD) maps can be generated using combinations of Zernike polynomials or shaped power spectral densities. The graphical user interface allows rapid creation of arbitrary pupil geometries, and entry of all other modeling parameters to support basic imaging and radiometric analyses. OPTOOL provides the capability to generate wavefront-error (WFE) maps for arbitrary grid sizes. These maps are 2D arrays containing digital sampled versions of functions ranging from Zernike polynomials to combination of sinusoidal wave functions in 2D, to functions generated from a spatial frequency power spectral distribution (PSD). It also can generate optical transfer functions (OTFs), which are incorporated into the PSF calculation. The user can specify radiometrics for the target and sky background, and key performance parameters for the instrument s focal plane array (FPA). This radiometric and detector model setup is fairly extensive, and includes parameters such as zodiacal background, thermal emission noise, read noise, and dark current. The setup also includes target spectral energy distribution as a function of wavelength for polychromatic sources, detector pixel size, and the FPA s charge diffusion modulation transfer function (MTF).

Ha, Kong Q.↗

NASA NTRS2001

The EUV Airglow of Titan: Production and Loss of N2 c'4(0) - X

The N(2) Carroll-Yoshino (CY) c'(4) X (0,0) and (0,1) Rydberg bands between 95 and 99 nm were reported to be the most prominent EUV emission features in Voyager 1 ultraviolet spectrometer (UVS) airglow spectra from Titan's atmosphere. Although c'(4) is strongly excited by photoelectron impact, the (0,0) band is optically thick near peak production, so a multiple-scattering model is employed to calculate (0,v) nadir-viewing intensities. The model accounts for all known loss processes and quantifies the redistribution of photons to (0,v is greater than 0). Results show 7.6 R of (0,1) intensity, in agreement with reported observations (5-10 R), and 0.2 R of (0,0), in spectacular disagreement with reported observations (6-10 R). Nadir-viewing intensities of all other expected NI multiplets and N2 bands in the brightest portion of the EUV airglow spectrum (92.0-101.5 nm) are also calculated using photodissociative ionization of N(2) and photoelectron impact on N(2). It is found that NI multiplets and N(2) bands near (0,0) and unresolved by the UVS combine to produce 8.3 R, consistent with that reported for (0,0) and indicating that it was misidentified in previous analyses. The Ultraviolet Imaging Spectrograph (UVIS) on Cassini should unambiguously distinguish any (0,0) intensity from the brightest features nearby.

EUV (EXTREME ULTRAVIOLET)↗

NASA NTRS2016

A Flexible Method for Producing F.E.M. Analysis of Bone Using Open-Source Software

Individuals who experience decreases in load-bearing bone densities can be subject to a higher risk of bone fracture during daily activity. Astronauts may lose up to nine percent of their load-bearing bone density for every month they spend in space [1]. Because of this, specialized countermeasures reduce percent loss in bone density and reduce fracture risk upon returning to Earth. Astronauts will typically not be at risk for fracture during spaceflight, because of the lesser loads experienced in microgravity conditions. However, once back on Earth, astronauts have an increased risk for bone fracture as a result of weakened bone and return to 1G conditions [2]. It is therefore important to understand the significance of any bone density loss in addition to developing exercises in an attempt to limit losses in bone strength. NASA seeks to develop a deeper understanding of fracture risk through the development of a computational bone strength model to assess the bone fracture risk of astronauts pre-flight and post-flight. This study addresses the several key processes needed to develop such strength analyses using medical image processing and finite element modeling.

biomechanics↗

NASA NTRS2020

Robust Algorithm for Estimating Total Suspended Solids (TSS) in Inland and Nearshore Coastal Waters

One of the challenging tasks in modern aquatic remote sensing is the retrieval of near-surface concentrations of Total Suspended Solids (TSS). This study aims to present a Statistical, inherent Optical property (IOP) -based, and muLti-conditional Inversion proceDure (SOLID) for enhanced retrievals of satellite-derived TSS under a wide range of in-water bio-optical conditions in rivers, lakes, estuaries, and coastal waters. In this study, using a large in situ database (N > 3500), the SOLID model is devised using a three-step procedure: (a) water-type classification of the input remote sensing reflectance (R(sub rs)), (b) retrieval of particulate backscattering (b(sub bp)) in the red or near-infrared (NIR) regions using semi-analytical, machine-learning, and empirical models, and (c) estimation of TSS from b(sub bp) via water-type-specific empirical models. Using an independent subset of our in situ data (N = 2729) with TSS ranging from 0.1 to 2626.8 [g/m (exp 3)], the SOLID model is thoroughly examined and compared against several state-of-the-art algorithms (Miller and McKee, 2004; Nechad et al., 2010; Novoa et al., 2017; Ondrusek et al., 2012; Petus et al., 2010). We show that SOLID outperforms all the other models to varying degrees, i.e., from 10 to > 100%, depending on the statistical attributes (e.g., global versus water-type-specific metrics). For demonstration purposes, the model is implemented for images acquired by the MultiSpectral Imager aboard Sentinel-2A/B over the Chesapeake Bay, San-Francisco-Bay-Delta Estuary, Lake Okeechobee, and Lake Taihu. To enable generating consistent, multimission TSS products, its performance is further extended to, and evaluated for, other missions, such as the Ocean and Land Color Instrument (OLCI), Moderate Resolution Imaging Spectroradiometer (MODIS), Visible Infrared Imaging Radiometer Suite (VIIRS), and Operational Land Imager (OLI). Sensitivity analyses on uncertainties induced by the atmospheric correction indicate that 10% uncertainty in Rrs leads to < 20% uncertainty in TSS retrievals from SOLID. While this study suggests that SOLID has a potential for producing TSS products in global coastal and inland waters, our statistical analysis certainly verifies that there is still a need for improving retrievals across a wide spectrum of particle loads.

Total suspended solids↗