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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 703 records · Page 39

OH Roaming and Beyond in the Unimolecular Decay of the Methyl-Ethyl-Substituted Criegee Intermediate: Observations and Predictions

Alkene ozonolysis generates short-lived Criegee intermediates that are a significant source of hydroxyl (OH) radicals. Here this study demonstrates that roaming of the separating OH radicals can yield alternate hydroxycarbonyl products, thereby reducing the OH yield. Specifically, hydroxybutanone has been detected as a stable product arising from roaming in the unimolecular decay of the methyl-ethyl-substituted Criegee intermediate (MECI) under thermal flow cell conditions. The dynamical features of this novel multistage dissociation plus a roaming unimolecular decay process have also been examined with ab initio kinetics calculations. Experimentally, hydroxybutanone isomers are distinguished from the isomeric MECI by their higher ionization threshold and distinctive photoionization spectra. Moreover, the exponential rise of the hydroxybutanone kinetic time profile matches that for the unimolecular decay of MECI. A weaker methyl vinyl ketone (MVK) photoionization signal is also attributed to OH roaming. Complementary multireference electronic structure calculations have been utilized to map the unimolecular decay pathways for MECI, starting with 1,4 H atom transfer from a methyl or methylene group to the terminal oxygen, followed by roaming of the separating OH and butanonyl radicals in the long-range region of the potential. Roaming via reorientation and the addition of OH to the vinyl group of butanonyl is shown to yield hydroxybutanone, and subsequent C–O elongation and H-transfer can lead to MVK. A comprehensive theoretical kinetic analysis has been conducted to evaluate rate constants and branching yields (ca. 10–11%) for thermal unimolecular decay of MECI to conventional and roaming products under laboratory and atmospheric conditions, consistent with the estimated experimental yield (ca. 7%).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Functional and transcriptional characterization of complex neuronal co-cultures

Brain-on-a-chip systems are designed to simulate brain activity using traditional in vitro cell culture on an engineered platform. It is a noninvasive tool to screen new drugs, evaluate toxicants, and elucidate disease mechanisms. However, successful recapitulation of brain function on these systems is dependent on the complexity of the cell culture. In this study, we increased cellular complexity of traditional (simple) neuronal cultures by co-culturing with astrocytes and oligodendrocyte precursor cells (complex culture). We evaluated and compared neuronal activity (e.g., network formation and maturation), cellular composition in long-term culture, and the transcriptome of the two cultures. Compared to simple cultures, neurons from complex co-cultures exhibited earlier synapse and network development and maturation, which was supported by localized synaptophysin expression, up-regulation of genes involved in mature neuronal processes, and synchronized neural network activity. Also, mature oligodendrocytes and reactive astrocytes were only detected in complex cultures upon transcriptomic analysis of age-matched cultures. Functionally, the GABA antagonist bicuculline had a greater influence on bursting activity in complex versus simple cultures. Collectively, the cellular complexity of brain-on-a-chip systems intrinsically develops cell type-specific phenotypes relevant to the brain while accelerating the maturation of neuronal networks, important features underdeveloped in traditional cultures.

59 BASIC BIOLOGICAL SCIENCES↗

SDSS-IV MaNGA: The incidence of major mergers in type I and II AGN host galaxies in the DR15 sample

We present a study on the incidence of major mergers and their impact on the triggering of nuclear activity in 47 type I and 236 type II optically selected AGN from the MaNGA DR15 sample. From an estimate of non-parametric image predictors (Gini, M_20, concentration (C), asymmetry (A), clumpiness (S), Sérsic index (n), and shape asymmetry ()) using the SDSS images, in combination with a Linear Discriminant Analysis Method, we identified major mergers and merger stages. We reinforced our results by looking for bright tidal features in our post-processed SDSS and DESI legacy images. We find a statistically significant higher incidence of major mergers of 29 per cent ± 3 per cent in our type I+II AGN sample compared to 22 per cent ± 0.8 per cent for a non-AGN sample matched in redshift, stellar mass, colour, and morphological type, finding also a prevalence of post-coalescence (51 per cent ± 5 per cent) over pre-coalescence (23 per cent ± 6 per cent) merger stages. The levels of AGN activity among our massive major mergers are similar to those reported in other works using [O iii] tracers. However, similar levels are produced by our AGN-galaxies hosting stellar bars, suggesting that major mergers are important promoters of nuclear activity but are not the main nor the only mechanism behind the AGN triggering. The tidal strength parameter Q was considered at various scales looking for environmental differences that could affect our results on the merger incidence, finding non-significant differences. Finally, the H-H β diagram could be used as an empirical predictor for the flux coming from an AGN source, useful to correct photometric quantities in large AGN samples emerging from surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

Exhaust plume structure in a quasi-steady MPD arc.

Results of spectroscopic and photographic investigations revealing a complex azimuthal species structure in the exhaust plume of a quasi-steady argon MPD arc. The features of the plume structure are found to be dependent on the arc current and mass flow rate. Time-resolved spectroscopic velocity measurements, obtained by a scanning Fabry-Perot interferometer, indicate argon ion jet velocities of 16,500 m/sec at a current of 16 kA and a matched mass flow of 6 g/sec. It is found that nearly half this velocity is attained in an acceleration region well downstream of the region of significant electromagnetic interaction. Temperature measurements suggest that simple expansion processes in the argon jets cannot fully explain the observed acceleration. It is possible that a transfer of momentum from the ablated core flow to the argon jets may contribute to the high argon velocities.

Bruckner, A. P.↗

The peculiar planetary nebula 75+35 deg 1

The high galactic latitude planetary nebula 75+35 deg 1 was observed in the low-dispersion mode of the IUE satellite. The UV spectrum is characterized by a strong continuum that matches the energy distribution of a blackbody curve of 90,000 K + or - 5000 K. The color temperature of 94,000 K + or - 4000 K is derived from the UV color indices. The spectral type mimics that of an O7.5 V star; a very strong N V 1240-A feature with a P Cygni profile is present, in addition to a very weak C IV P Cygni line. A very slight depression in the 2200-A region suggests very little interstellar absorption with an upper limit of E(B-V) = 0.025 mag, as would be expected for a high galactic latitude object. The ultraviolet observations, in context with the optical data, indicate that this object is not a typical planetary.

Feibelman, Walter A.↗

Structural stereopsis - Potential for automatic stereo camera calibration

The paper describes the use of extended edge features as a source of primitives for structural stereopsis and considers the design of a system for autonomous camera calibration. It is shown that the structural approach permits greater use of spatial relational constraints, eliminating the coarse-to-fine tracking of point-based algorithms. Experimental results concerning matching and calibration on real images using Laplacian-of-Gaussian contour fragments as primitives in structural stereopsis are presented, and results in graph-theoretic representation and inexact matches, analytical photogrammetry, and other computer vision and image analysis problem domains are examined. Such a system might be used in aerial photogrammetry and cartography, and robotic vision systems; however, the system is still very much under development.

Boyer, Kim L.↗

Recognition of partially occluded threat objects using the annealed Hopefield network

Recognition of partially occluded objects has been an important issue to airport security because occlusion causes significant problems in identifying and locating objects during baggage inspection. The neural network approach is suitable for the problems in the sense that the inherent parallelism of neural networks pursues many hypotheses in parallel resulting in high computation rates. Moreover, they provide a greater degree of robustness or fault tolerance than conventional computers. The annealed Hopfield network which is derived from the mean field annealing (MFA) has been developed to find global solutions of a nonlinear system. In the study, it has been proven that the system temperature of MFA is equivalent to the gain of the sigmoid function of a Hopfield network. In our early work, we developed the hybrid Hopfield network (HHN) for fast and reliable matching. However, HHN doesn't guarantee global solutions and yields false matching under heavily occluded conditions because HHN is dependent on initial states by its nature. In this paper, we present the annealed Hopfield network (AHN) for occluded object matching problems. In AHN, the mean field theory is applied to the hybird Hopfield network in order to improve computational complexity of the annealed Hopfield network and provide reliable matching under heavily occluded conditions. AHN is slower than HHN. However, AHN provides near global solutions without initial restrictions and provides less false matching than HHN. In conclusion, a new algorithm based upon a neural network approach was developed to demonstrate the feasibility of the automated inspection of threat objects from x-ray images. The robustness of the algorithm is proved by identifying occluded target objects with large tolerance of their features.

Kim, Jung H.↗

Direct numerical simulation of transitional and turbulent flow over a heated flat plate using finite-difference schemes

This report deals with the direct numerical simulation of transitional and turbulent flow at low Mach numbers using high-order-accurate finite-difference techniques. A computation of transition to turbulence of the spatially-evolving boundary layer on a heated flat plate in the presence of relatively high freestream turbulence was performed. The geometry and flow conditions were chosen to match earlier experiments. The development of the momentum and thermal boundary layers was documented. Velocity and temperature profiles, as well as distributions of skin friction, surface heat transfer rate, Reynolds shear stress, and turbulent heat flux, were shown to compare well with experiment. The results indicate that the essential features of the transition process have been captured. The numerical method used here can be applied to complex geometries in a straightforward manner.

Madavan, Nateri K.↗

Potential Flow Theory and Operation Guide for the Panel Code PMARC

The theoretical basis for PMARC, a low-order panel code for modeling complex three-dimensional bodies, in potential flow, is outlined. PMARC can be run on a wide variety of computer platforms, including desktop machines, workstations, and supercomputers. Execution times for PMARC vary tremendously depending on the computer resources used, but typically range from several minutes for simple or moderately complex cases to several hours for very large complex cases. Several of the advanced features currently included in the code, such as internal flow modeling, boundary layer analysis, and time-dependent flow analysis, including problems involving relative motion, are discussed in some detail. The code is written in Fortran77, using adjustable-size arrays so that it can be easily redimensioned to match problem requirements and computer hardware constraints. An overview of the program input is presented. A detailed description of the input parameters is provided in the appendices. PMARC results for several test cases are presented along with analytic or experimental data, where available. The input files for these test cases are given in the appendices. PMARC currently supports plotfile output formats for several commercially available graphics packages. The supported graphics packages are Plot3D, Tecplot, and PmarcViewer.

Ashby, Dale L.↗

Investigating explainable transfer learning for battery lifetime prediction under state transitions

Battery lifetime prediction at early cycles is crucial for researchers and manufacturers to examine product quality and promote technology development. Machine learning has been widely utilized to construct data-driven solutions for high-accuracy predictions. However, the internal mechanisms of batteries are sensitive to many factors, such as charging/discharging protocols, manufacturing/storage conditions, and usage patterns. These factors will induce state transitions, thereby decreasing the prediction accuracy of data-driven approaches. Transfer learning is a promising technique that overcomes this difficulty and achieves accurate predictions by jointly utilizing information from various sources. Hence, we develop two transfer learning methods, Bayesian Model Fusion and Weighted Orthogonal Matching Pursuit, to strategically combine prior knowledge with limited information from the target dataset to achieve superior prediction performance. From our results, our transfer learning methods reduce root-mean-squared error by 41% through adapting to the target domain. Furthermore, the transfer learning strategies identify the variations of impactful features across different sets of batteries and therefore disentangle the battery degradation mechanisms and the root cause of state transitions from the perspective of data mining. These findings suggest that the transfer learning strategies proposed in our work are capable of acquiring knowledge across multiple data sources for solving specialized issues.

25 ENERGY STORAGE↗

Chemoproteogenomic stratification of the missense variant cysteinome

Abstract Cancer genomes are rife with genetic variants; one key outcome of this variation is widespread gain-of-cysteine mutations. These acquired cysteines can be both driver mutations and sites targeted by precision therapies. However, despite their ubiquity, nearly all acquired cysteines remain unidentified via chemoproteomics; identification is a critical step to enable functional analysis, including assessment of potential druggability and susceptibility to oxidation. Here, we pair cysteine chemoproteomics—a technique that enables proteome-wide pinpointing of functional, redox sensitive, and potentially druggable residues—with genomics to reveal the hidden landscape of cysteine genetic variation. Our chemoproteogenomics platform integrates chemoproteomic, whole exome, and RNA-seq data, with a customized two-stage false discovery rate (FDR) error controlled proteomic search, which is further enhanced with a user-friendly FragPipe interface. Chemoproteogenomics analysis reveals that cysteine acquisition is a ubiquitous feature of both healthy and cancer genomes that is further elevated in the context of decreased DNA repair. Reference cysteines proximal to missense variants are also found to be pervasive, supporting heretofore untapped opportunities for variant-specific chemical probe development campaigns. As chemoproteogenomics is further distinguished by sample-matched combinatorial variant databases and is compatible with redox proteomics and small molecule screening, we expect widespread utility in guiding proteoform-specific biology and therapeutic discovery.

Desai, Heta (ORCID:0000000343621707)↗

Image quality indicator and dechromator setup for static LANSCE proton radiography experiment

This document describes a static geometry consisting of a sphere of gold and Ti-6Al-4V alloy, along with an energy-loss matching dechromator composed of polycarbonate, to field with the X3 electromagnetic magnifying lens at LANSCE during the next beam cycle. This static configuration will allow us to: (1) characterize the system’s resolution at the material interface between the gold and titanium alloy, and test the image quality for fine features associated with the screws used to fasten the titanium alloy hemispheres; (2) tune our models of proton scattering and imaging for these materials; and (3) test a procedure to align the polycarbonate dechromator and the sphere within the proton beamline. The data will also be suitable for validation of the software options available for proton radiography simulations.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

X-ray heated winds in Seyfert galaxies

Recent observational work has shown that Type 2 Seyfert galaxies contain Type 1 nuclei. These are hidden from direct view by obscuring material of toroidal geometry, but are revealed by scattering off asymmetrically distributed warm electrons which gives the light net polarization. Warm, ionized gas of the right temperature and optical depth to match the observations is exactly what would be expected due to evaporation of material from the inner edge of the obscuring torus by the nuclear UV and X-ray continuum. In addition to revealing the nucleus by scattering, this warm gas also produces strong X-ray Fe K features.

Krolik, Julian H.↗

Dawn- Dusk Auroral Oval Oscillations Associated with High- Speed Solar Wind

We report evidence of global-scale auroral oval oscillations in the millihertz range, using global auroral images acquired from the Ultraviolet Imager on board the decommissioned Polar satellite and concurrent solar wind measurements. On the basis of two events (15 January 1999 and 6 January 2000) studied, it is found that (1) quasi-periodic auroral oval oscillations (approximately 3 megahertz) can occur when solar wind speeds are high at northward or southward interplanetary magnetic field turning, (2) the oscillation amplitudes range from a few to more than 10 degrees in latitudes, (3) the oscillation frequency is the same for each event irrespective of local time and without any azimuthal phase shift (i.e., propagation), (4) the auroral oscillations occur in phase within both the dawn and dusk sectors but 180 degrees out of phase between the dawn and dusk sectors, and (5) no micropulsations on the ground match the auroral oscillation periods. While solar wind conditions favor the growth of the Kelvin-Helmholtz (K-H) instability on the magnetopause as often suggested, the observed wave characteristics are not consistent with predictions for K-H waves. The in-phase and out-of-phase features found in the dawn-dusk auroral oval oscillations suggest that wiggling motions of the magnetotail associated with fast solar winds might be the direct cause of the global-scale millihertz auroral oval oscillations. Plain Language Summary: We utilize global auroral image data to infer the motion of the magnetosphere and show, for the first time, the entire magnetospheric tail can move east-west in harmony like a windsock flapping in wind. The characteristic period of the flapping motion may be a major source of global long-period ULF (Ultra Low Frequency) waves, adding an extra source of the global mode ULF waves.

Liou, Kan↗

The Distribution of Titanium in Lunar Soils on the Basis of Sensor and In Situ Data Fusion

A variety of remote-sensing measurements have been used to map the distribution of elements on the Moon as a means of providing constraints on the processes from which its crust and major terranes originated. Discussed here is Ti, which is incorporated into refractory minerals such as ilmenite during the latter stages of differentiation, and is thus a most useful element for understanding mare basalt petrogenesis. One of the earliest Ti maps showed Ti variations in nearside maria on the basis of groundbased spectral reflectance measurements. A map of Ti derived from gamma-ray measurements on Apollo 15 and 16 was produced at about the same time, and was improved upon considerably by Davis and coworkers, who effectively removed sources of spurious variation from Fe and Al or REE (e.g., Th) interference, and calibrated Ti on the bases of landing-site soil averages. In recent years, spectral reflectance measurements from Clementine have been used by Lucey and coworkers to produce global Ti distribution maps as well. As we indicated previously, the Lucey and Davis maps agree to first order. Meanwhile, we are using the concept of sensor data fusion to combine measurements from the AGR (Apollo gamma-ray) and CSR (Clementine Spectral Reflectance) techniques with ground truth from lunar soils to utilize the differences between the two maps to understand the distribution of Ti within lunar soil components, as we have done with Fe. This technique should be verified and applied on Lunar Prospector gamma-ray measurements of Ti, as the calibrated data become available within the next couple of years. Lunar Ti is found principally in the mineral ilmenite, and is associated with certain components of lunar soil: crystalline Ilmenite mineral fragments and high Ti-bearing glass. All data indicate that Ti is associated with maria and mafic minerals. In AGR and CSR datasets, Ti is highest on the nearside and in the maria, particularly in southern Serenitatis/northern Tranquillitatis and northwestern Procellarum. Unlike CSR-derived values, AGR Ti values show modest increase (up to 0.7%) on the northern farside. Both techniques show a primarily unimodal distribution with a shoulder in the high Ti direction and a primary mode at approximately 0.2% (0.15% for CSR and 0.25% for AGR data), but the AGR Ti data have more structure in the shoulder, including an apparent minor mode at 1.2% Ti, representing non-highland areas. Recalibrating the two datasets on the basis of matching the peaks and range on the histograms would not account for this additional structure in the AGR data. Low Ti areas, which occur predominantly on the farside, are not represented well in the lunar sample collection, although several meteorites thought to be of lunar highland origin show Ti abundances averaging about 0.2%. (Error bars on AGR Ti values are about 0.5%.) Gamma-ray measurements reflect intrinsic Ti surface composition, regardless of the physical or chemical state of Ti. Lucey and coworkers have attempted to produce an equivalent bulk Ti map by normalizing the spectral feature at 415 nm to remove the effects of physical variations from soil to soil. The normalization is based on laboratory measurements of available samples, primarily nearside maria, and is undoubtedly optimized for the proportions in which Ti- components are found in these soils. In particular, mare soils tend to have a much higher proportion of opaque mineral grains, which appears to be well correlated with Ti abundance. The relationship between Ti abundance and proportion of Ti-bearing glass (weighted for Ti abundance) is not as direct. Also shows the relationship between landing site soil average, AGR, and CSR Ti abundances (with CSR filtered to match resolution and field of view of AGR data). AGR Ti values show the best agreement with Ti soil averages, CSR Ti values being somewhat higher in high-Ti soils, and lower in low-Ti soils. These results would tend to support the argument that the technique for deriving Ti from the CSR measurements is optimized for one of the primary Ti-bearing components, most likely opaque mineral grains, and is thus over-compensating and reporting higher Ti values in mare areas, and underreporting Ti in highland areas with much lower proportions of opaque mineral grains. More information is contained in original.

Clark, P. E.↗

Faint and Fading Tails: The Fate of Stripped H i Gas in Virgo Cluster Galaxies

Although many galaxies in the Virgo cluster are known to have lost significant amounts of H i gas, only about a dozen features are known where the H i extends significantly outside its parent galaxy. Previous numerical simulations have predicted that H i removed by ram pressure stripping should have column densities far in excess of the sensitivity limits of observational surveys. We construct a simple model to try and quantify how many streams we might expect to detect. This accounts for the expected random orientation of the streams in position and velocity space as well as the expected stream length and mass of stripped H i. Using archival data from the Arecibo Galaxy Environment Survey, we search for any streams that might previously have been missed in earlier analyses. We report the confident detection of 10 streams as well as 16 other less-certain detections. We show that these well match our analytic predictions for which galaxies should be actively losing gas; however, the mass of the streams is typically far below the amount of missing H i in their parent galaxies, implying that a phase change and/or dispersal renders the gas undetectable. By estimating the orbital timescales, we estimate that dissolution rates of 1–10 M {sub ⊙} yr{sup −1} are able to explain both the presence of a few long, massive streams and the greater number of shorter, less-massive features.

79 ASTRONOMY AND ASTROPHYSICS↗

Estimating carrying capacity for juvenile salmon using quantile random forest models

Abstract Establishing robust methods and metrics to evaluate habitat quality is critical for the recovery of endangered Pacific salmonids ( Oncorhynchus spp.). A variety of modeling approaches are used for status and trend monitoring of anadromous species throughout the Pacific Northwest, USA, but current methods may fail to capture the complex relationship between fish and habitat and are often limited in predictive power beyond specific watersheds. Further, the focus on species distribution and abundance is not easily manipulated to predict carrying capacity and traditional stock‐recruitment analyses are reliant on long‐term data which are not always available. In this study, we developed a quantile random forest model to provide estimates of habitat carrying capacity for Chinook salmon ( O. tshawytscha ) parr during the summer months, at both the site and watershed scale. Quantile random forest models allow for the consideration of noisy data, correlated variables, and non‐linear relationships: common features in fish–habitat datasets. We leveraged Columbia Habitat Monitoring Program data to select habitat co‐variates and predict capacity at those sites. We also identified a set of globally available attributes to extrapolate capacity estimate predictions throughout wadeable streams within the Columbia River basin. Total capacity estimates for watersheds closely matched estimates from alternative fish productivity models. Carrying capacity estimates based on quantile random forest models, like those presented here, provide managers a framework to guide the identification, prioritization, and development of habitat rehabilitation actions to recover salmon populations.

See, Kevin E.↗

Transcriptomic and Proteomic Insights into Host Immune Responses in Pediatric Severe Malarial Anemia: Dysregulation in HSP60-70-TLR2/4 Signaling and Altered Glutamine Metabolism

Severe malarial anemia (SMA, Hb < 6.0 g/dL) is a leading cause of childhood morbidity and mortality in holoendemic Plasmodium falciparum transmission zones. This study explored the entire expressed human transcriptome in whole blood from 66 Kenyan children with non-SMA (Hb ≥ 6.0 g/dL, n = 41) and SMA (n = 25), focusing on host immune response networks. RNA-seq analysis revealed 6862 differentially expressed genes, with equally distributed up-and down-regulated genes, indicating a complex host immune response. Deconvolution analyses uncovered leukocytic immune profiles indicative of a diminished antigenic response, reduced immune priming, and polarization toward cellular repair in SMA. Weighted gene co-expression network analysis revealed that immune-regulated processes are central molecular distinctions between non-SMA and SMA. A top dysregulated immune response signaling network in SMA was the HSP60-HSP70-TLR2/4 signaling pathway, indicating altered pathogen recognition, innate immune activation, stress responses, and antigen recognition. Validation with high-throughput gene expression from a separate cohort of Kenyan children (n = 50) with varying severities of malarial anemia (n = 38 non-SMA and n = 12 SMA) confirmed the RNA-seq findings. Proteomic analyses in 35 children with matched transcript and protein abundance (n = 19 non-SMA and n = 16 SMA) confirmed dysregulation in the HSP60-HSP70-TLR2/4 signaling pathway. Additionally, glutamine transporter and glutamine synthetase genes were differentially expressed, indicating altered glutamine metabolism in SMA. This comprehensive analysis underscores complex immune dysregulation and novel pathogenic features in SMA.

Microbiology↗