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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Discovery of Manganese-Based Solar Fuel Photoanodes via Integration of Electronic Structure Calculations, Pourbaix Stability Modeling, and High-Throughput Experiments

The solar photoelectrochemical generation of hydrogen and carbon-containing fuels comprises a critical energy technology for establishing sustainable energy resources. The photoanode, which is responsible for solar-driven oxygen evolution, has persistently limited technology advancement due to the lack of materials that exhibit both the requisite electronic properties and operational stability. Efforts to extend the lifetime of solar fuel devices increasingly focus on mitigating corrosion in the highly oxidizing oxygen evolution environment, motivating our development of a photoanode discovery pipeline that combines electronic structure calculations, Pourbaix stability screening, and high-throughput experiments. By applying the pipeline to ternary metal oxides containing manganese, we have identified a promising class of corrosion-resistant materials and discover five oxygen evolution photoanodes, including the first demonstration of photoelectrocatalysis with Mn-based ternary oxides and the introduction of alkaline earth manganates as promising photoanodes for establishing a durable solar fuels technology.

10 SYNTHETIC FUELS↗
DOE OSTI2018

On compensation in Si-doped AlN

Controllable n-type doping over wide ranges of carrier concentrations in AlN, or Al-rich AlGaN, is critical to realizing next-generation applications in high-power electronics and deep UV light sources. Silicon is not a hydrogenic donor in AlN as it is in GaN; despite this, the carrier concentration should be controllable, albeit less efficiently, by increasing the donor concentration during growth. At low doping levels, an increase in the Si content leads to a commensurate increase in free electrons. Problematically, this trend does not persist to higher doping levels. In fact, a further increase in the Si concentration leads to a decrease in free electron concentration; this is commonly referred to as the compensation knee. While the nature of this decrease has been attributed to a variety of compensating defects, the mechanism and identity of the predominant defects associated with the knee have not been conclusively determined. Density functional theory calculations using hybrid exchange-correlation functionals have identified V Al + n Si Al complexes as central to mechanistically understanding compensation in the high Si limit in AlN, while secondary impurities and vacancies tend to dominate compensation in the low Si limit. The formation energies and optical signatures of these defects in AlN are calculated and utilized in a grand canonical charge balance solver to identify carrier concentrations as a function of Si content. The results were found to qualitatively reproduce the experimentally observed compensation knee. Furthermore, these calculations predict a shift in the optical emissions present in the high and low doping limits, which is confirmed with detailed photoluminescence measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2012

IMAGING THE EPOCH OF REIONIZATION: LIMITATIONS FROM FOREGROUND CONFUSION AND IMAGING ALGORITHMS

Tomography of redshifted 21 cm transition from neutral hydrogen using Fourier synthesis telescopes is a promising tool to study the Epoch of Reionization (EoR). Limiting the confusion from Galactic and extragalactic foregrounds is critical to the success of these telescopes. The instrumental response or the point-spread function (PSF) of such telescopes is inherently three dimensional with frequency mapping to the line-of-sight (LOS) distance. EoR signals will necessarily have to be detected in data where continuum confusion persists; therefore, it is important that the PSF has acceptable frequency structure so that the residual foreground does not confuse the EoR signature. This paper aims to understand the three-dimensional PSF and foreground contamination in the same framework. We develop a formalism to estimate the foreground contamination along frequency, or equivalently LOS dimension, and establish a relationship between foreground contamination in the image plane and visibility weights on the Fourier plane. We identify two dominant sources of LOS foreground contamination-'PSF contamination' and 'gridding contamination'. We show that PSF contamination is localized in LOS wavenumber space, beyond which there potentially exists an 'EoR window' with negligible foreground contamination where we may focus our efforts to detect EoR. PSF contamination in this window may be substantially reduced by judicious choice of a frequency window function. Gridding and imaging algorithms create additional gridding contamination and we propose a new imaging algorithm using the Chirp Z Transform that significantly reduces this contamination. Finally, we demonstrate the analytical relationships and the merit of the new imaging algorithm for the case of imaging with the Murchison Widefield Array.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Stellar signatures of AGN-jet-triggered star formation

To investigate feedback between relativistic jets emanating from active galactic nuclei and the stellar population of the host galaxy, we analyze the long-term evolution of the orbits of the stars formed in the galaxy-scale simulations by Gaibler et al. of jets in massive, gas-rich galaxies at z ∼ 2-3. We find strong, jet-induced differences in the resulting stellar populations of galaxies that host relativistic jets and galaxies that do not, including correlations in stellar locations, velocities, and ages. Jets are found to generate distributions of increased radial and vertical velocities that persist long enough to effectively augment the stellar structure of the host. The jets cause the formation of bow shocks that move out through the disk, generating rings of star formation within the disk. The bow shock often accelerates pockets of gas in which stars form, yielding populations of stars with significant radial and vertical velocities, some of which have large enough velocities to escape the galaxy. These stellar population signatures can serve to identify past jet activity as well as jet-induced star formation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Observing fish interactions with marine energy turbines using acoustic cameras

Abstract Marine current energy converters such as tidal and riverine turbines have the potential to provide reliable, clean power. The risk of collision of fishes with marine energy turbines is not yet well understood, in part due to the challenges associated with observing fish at turbine sites. Turbidity and light availability can limit the effectiveness of optical sensors like video cameras, motivating the use of acoustic cameras for this task. However, challenges persist in collecting and interpreting data acquired from acoustic cameras. Given the limited number of turbine deployments to date, it is prudent to draw on the application of acoustic cameras to monitor fish in other scenarios. This article synthesizes their use for other fisheries applications to inform best practices and set realistic expectations for the results of acoustic camera monitoring at turbine sites. We discuss six key tasks performed with acoustic cameras: detecting objects, identifying objects as fish, counting fish, measuring fish, classifying fish taxonomically and analysing fish behavior. Specific challenges to monitoring fish at turbine sites are discussed. This article is intended to serve as a reference for researchers, regulators and marine energy developers on effective use of acoustic cameras to monitor fish at turbine sites. The studies detailed in this article provide evidence that, in some scenarios, acoustic cameras can be used to inform the risk of fish collision with marine energy turbines but doing so requires careful study design and data processing.

Cotter, Emma↗
DOE OSTI2022

Emerging wild virus of native grass bioenergy feedstock is well–established in the Midwestern USA and associated with premature stand senescence

The North American native prairie grass Panicum virgatum (switchgrass) is a primary bioenergy feedstock candidate. Its widespread distribution and genetic diversity enable the possibility of developing this perennial grass for high production in a variety of conditions, including on marginal lands. A critical concern in feedstock development and deployment is the risk of novel pathogen emergence. Here we investigate the landscape-scale prevalence and epidemiology of a little-studied North American virus first detected in switchgrass and other grasses in bioenergy trials in the US Midwest. Switchgrass mosaic virus (SwMV, Genus Marafivirus, Family Tymoviridae) is transmitted by leafhoppers and phylogenetically sister to Maize rayado fino virus, a significant pathogen of maize in parts of the Americas. Our goal was to determine whether SwMV is uniquely limited to specific bioenergy trials or well-established and circulating more broadly. We used molecular diagnostics to quantify naturally occurring SwMV infection in leafhoppers and switchgrass in naturalistic stands throughout a large Midwestern landscape, and quantified leafhopper abundances and stand performance. Our analysis revealed that this apparently wild virus is well-established and widespread. Infection was present at nearly all sites, across diverse landscape contexts, with prevalences ranging as high as 33%–60%. Infection appeared to accumulate and persist in stands over time. It was associated with increases in premature stand senescence but not with reductions in stand height. Although wild viruses are believed to evolve benign relationships with their natural hosts, these data suggest that SwMV has potential to impact yield components. Viruses are frequently overlooked in crop development efforts, but represent the majority of emerging plant pathogens. For SwMV, it is imperative to quantify its impact on host performance, to identify the extent of any host resistance, and to assess any risks of virus spillover to agricultural plantings of other Poaceae species, including maize and sorghum.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Persistent Polar Ocean Warming in a Strategically Geoengineered Climate

A novel geoengineering approach designed to moderate the effects of continued greenhouse gas emissions is examined in a large ensemble of 21st century climate simulations. Stratospheric sulfur injections are imposed at discrete latitudes of 15° and 30° in both hemispheres with the aim of minimizing changes in surface temperature, both in the global mean and in its gradients between hemispheres and from equator to pole. The approach successfully accomplishes these goals and reduces several major adverse impacts found in earlier geoengineering applications, such as overcooling the tropics and weakening rainfall over land. Nonetheless, responses over ocean are identified that drive shifts in the global ocean circulation and structure. The responses result in an acceleration of the meridional overturning circulation in the Atlantic Ocean and continued warming of the deep and polar oceans, particularly in the vicinity of southern Greenland, with the potential to drive continued cryospheric melt and global sea level rise. Related changes in tropical rainfall are also identified. Despite a successful moderation of surface warming and reduction of the planetary energy imbalance, these simulations demonstrate the potential complexity of the coupled climate response to geoengineering implementations, highlighting the need for significant advances in our understanding of the coupled climate system and the continued refinement of such strategies as a prerequisite to their successful implementation.

Fasullo, John↗
DOE OSTI2023

Nanoscale imaging of He-ion irradiation effects on amorphous TaO x toward electroforming-free neuromorphic functions

Resistive switching in thin films has been widely studied in a broad range of materials. Yet, the mechanisms behind electroresistive switching have been persistently difficult to decipher and control, in part due to their non-equilibrium nature. Here, we demonstrate new experimental approaches that can probe resistive switching phenomena, utilizing amorphous TaO x as a model material system. Specifically, we applied scanning microwave impedance microscopy and cathodoluminescence (CL) microscopy as direct probes of conductance and electronic structure, respectively. These methods provide direct evidence of the electronic state of TaO x despite its amorphous nature. For example, CL identifies characteristic impurity levels in TaO x , in agreement with first principles calculations. We applied these methods to investigate He-ion-beam irradiation as a path to activate conductivity of materials and enable electroforming-free control over resistive switching. However, we find that even though He-ions begin to modify the nature of bonds even at the lowest doses, the films' conductive properties exhibit remarkable stability with large displacement damage and they are driven to metallic states only at the limit of structural decomposition. Finally, we show that electroforming in a nanoscale junction can be carried out with a dissipated power of <20 nW, a much smaller value compared to earlier studies and one that minimizes irreversible structural modifications of the films. Importantly, the multimodal approach described here provides a new framework toward the theory/experiment guided design and optimization of electroresistive materials.

36 MATERIALS SCIENCE↗
DOE OSTI2015

The megasecond Chandra X-ray visionary project observation of NGC 3115. II. Properties of point sources

We carried out an in-depth study of low-mass X-ray binaries (LMXBs) detected in the nearby lenticular galaxy NGC 3115 using the Megasecond Chandra X-ray Visionary Project observation (total exposure time 1.1 Ms). In total we found 136 candidate LMXBs in the field and 49 in globular clusters (GCs) above 2σ detection, with 0.3–8 keV luminosity L{sub X} ∼ 10{sup 36}–10{sup 39} erg s{sup −1}. Other than 13 transient candidates, the sources overall have less long-term variability at higher luminosity, at least at L{sub X}≳2×10{sup 37} erg s{sup −1}. In order to identify the nature and spectral state of our sources, we compared their collective spectral properties based on single-component models (a simple power law or a multicolor disk) with the spectral evolution seen in representative Galactic LMXBs. We found that in the L{sub X} versus photon index Γ{sub PL} and L{sub X} versus disk temperature kT{sub MCD} plots, most of our sources fall on a narrow track in which the spectral shape hardens with increasing luminosity below L{sub X}∼7×10{sup 37} erg s{sup −1}, but is relatively constant (Γ{sub PL}∼1.5 or kT{sub MCD}∼1.5 keV) above this luminosity, which is similar to the spectral evolution of Galactic neutron star (NS) LMXBs in the soft state in the Chandra bandpass. Therefore, we identified the track as the NS LMXB soft-state track and suggested sources with L{sub X}≲7×10{sup 37} erg s{sup −1} as atolls in the soft state and those with L{sub X}≳7×10{sup 37} erg s{sup −1} as Z sources. Ten other sources (five are transients) displayed significantly softer spectra and are probably black hole X-ray binaries in the thermal state. One of them (persistent) is in a metal-poor GC.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Trends in atmospheric patterns conducive to seasonal precipitation and temperature extremes in California

Recent evidence suggests that changes in atmospheric circulation have altered the probability of extreme climate events in the Northern Hemisphere. We investigate northeastern Pacific atmospheric circulation patterns that have historically (1949–2015) been associated with cool-season (October-May) precipitation and temperature extremes in California. We identify changes in occurrence of atmospheric circulation patterns by measuring the similarity of the cool-season atmospheric configuration that occurred in each year of the 1949–2015 period with the configuration that occurred during each of the five driest, wettest, warmest, and coolest years. Our analysis detects statistically significant changes in the occurrence of atmospheric patterns associated with seasonal precipitation and temperature extremes. We also find a robust increase in the magnitude and subseasonal persistence of the cool-season West Coast ridge, resulting in an amplification of the background state. Changes in both seasonal mean and extreme event configurations appear to be caused by a combination of spatially nonuniform thermal expansion of the atmosphere and reinforcing trends in the pattern of sea level pressure. In particular, both thermal expansion and sea level pressure trends contribute to a notable increase in anomalous northeastern Pacific ridging patterns similar to that observed during the 2012–2015 California drought. Collectively, our empirical findings suggest that the frequency of atmospheric conditions like those during California’s most severely dry and hot years has increased in recent decades, but not necessarily at the expense of patterns associated with extremely wet years.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

A Functional Survey of the Regulatory Landscape of Estrogen Receptor–Positive Breast Cancer Evolution

Abstract Only a handful of somatic alterations have been linked to endocrine therapy resistance in hormone-dependent breast cancer, potentially explaining ∼40% of relapses. If other mechanisms underlie the evolution of hormone-dependent breast cancer under adjuvant therapy is currently unknown. In this work, we employ functional genomics to dissect the contribution of cis-regulatory elements (CRE) to cancer evolution by focusing on 12 megabases of noncoding DNA, including clonal enhancers, gene promoters, and boundaries of topologically associating domains. Parallel epigenetic perturbation (CRISPRi) in vitro reveals context-dependent roles for many of these CREs, with a specific impact on dormancy entrance and endocrine therapy resistance. Profiling of CRE somatic alterations in a unique, longitudinal cohort of patients treated with endocrine therapies identifies a limited set of noncoding changes potentially involved in therapy resistance. Overall, our data uncover how endocrine therapies trigger the emergence of transient features which could ultimately be exploited to hinder the adaptive process. Significance: This study shows that cells adapting to endocrine therapies undergo changes in the usage or regulatory regions. Dormant cells are less vulnerable to regulatory perturbation but gain transient dependencies which can be exploited to decrease the formation of dormant persisters.

Oncology↗
DOE OSTI2021

Repetitive diacetyl vapor exposure promotes ubiquitin proteasome stress and precedes bronchiolitis obliterans pathology

Bronchiolitis obliterans (BO) is a devastating lung disease seen commonly after lung transplant but also seen following severe respiratory tract infection or chemical inhalation exposure. Diacetyl (DA; 2,3-butanedione), highly reactive alpha-diketone is known to cause BO when inhaled, however, the mechanisms of how inhalation exposure leads to BO development remains poorly understood. In the current work, we combined two clinically relevant models for studying the pathogenesis of DA-induced BO: (1) an in vivo rat model of repetitive DA vapor exposures with recovery and (2) an in vitro model of primary human airway epithelial cells exposed to pure DA vapors. Rats exposed to 5 consecutive days 200 parts-per-million DA 6 hrs per day had worsening survival, persistent hypoxemia, poor weight gain, and histologic evidence of BO 14 days after DA exposure cessation. At the end of exposure, increased expression of the ubiquitin stress protein, ubiquitin-C, accumulated within DA-exposed rat lung homogenates, localized primarily to the airway epithelium, the primary site of BO development, and did not occur in air-exposed controls. Lung proteasome activity increased concurrently after DA exposure. In primary human airway cultures, global proteomics analysis identified 519 significantly modified proteins in DA-exposed samples relative to controls with the ubiquitin proteasome system, endosomal reticulum transport, and the response to unfolded protein pathways being upregulated while cell-cell adhesion and oxidation-reduction pathways being downregulated in DA-exposed samples. Altogether, repetitive DA vapor exposure resulted in abundant protein damage, accumulation of polyubiquinated proteins, and ubiquitin proteasome stress prior to the development of chemical-induced BO pathology.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Dynamics of microbial community composition and soil organic carbon mineralization in soil following addition of pyrogenic and fresh organic matter

Pyrogenic organic matter (PyOM) additions to soils can have large impacts on soil organic carbon (SOC) cycling. As the soil microbial community drives SOC fluxes, understanding how PyOM additions affect soil microbes is essential to understanding how PyOM affects SOC. We studied SOC dynamics and surveyed soil bacterial communities after OM additions in a field experiment. We produced and mixed in either 350 °C corn stover PyOM or an equivalent initial amount of dried corn stover to a Typic Fragiudept soil. Stover increased SOC-derived and total CO 2 fluxes (up to 6x), and caused rapid and persistent changes in bacterial community composition over 82 days. In contrast, PyOM only temporarily increased total soil CO 2 fluxes (up to 2x) and caused fewer changes in bacterial community composition. Of the operational taxonomic units (OTUs) that increased in response to PyOM additions, 70% also responded to stover additions. These OTUs likely thrive on easily mineralizable carbon (C) that is found both in stover and, to a lesser extent, in PyOM. In contrast, we also identified unique PyOM responders, which may respond to substrates such as polyaromatic C. In particular, members of Gemmatimonadetes tended to increase in relative abundance in response to PyOM but not to fresh organic matter. As a result, we identify taxa to target for future investigations of the mechanistic underpinnings of ecological phenomena associated with PyOM additions to soil.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Characterization of photocatalytic TiO 2 powder under varied environments using near ambient pressure X-ray photoelectron spectroscopy

Consecutive eight study phases under the successive presence and absence of UV irradiation, water vapor, and oxygen were conducted to characterize surface changes in the photocatalytic TiO2 powder using near-ambient-pressure X-ray photoelectron spectroscopy (XPS). Both Ti 2p and O 1s spectra show hysteresis through the experimental course. Under all the study environments, the bridging hydroxyl (OH br ) and terminal hydroxyl (OH t ) are identified at 1.1–1.3 eV and 2.1–2.3 eV above lattice oxygen, respectively. This enables novel and complementary approach to characterize reactivity of TiO 2 powder. The dynamic behavior of surface-bound water molecules under each study environment is identified, while maintaining a constant distance of 1.3 eV from the position of water vapor. In the dark, the continual supply of both water vapor and oxygen is the key factor retaining the activated state of the TiO 2 powder for a time period. Two new surface peaks at 1.7–1.8 and 4.0–4.2 eV above lattice oxygen are designated as peroxides (OOH/H 2 O 2 ) and H 2 O 2 dissolved in water, respectively. The persistent peroxides on the powder further explain previously observed prolonged oxidation capability of TiO 2 powder without light irradiation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Graphene as a transparent electrode for amorphous silicon-based solar cells

The properties of graphene in terms of transparency and conductivity make it an ideal candidate to replace indium tin oxide (ITO) in a transparent conducting electrode. However, graphene is not always as good as ITO for some applications, due to a non-negligible absorption. For amorphous silicon photovoltaics, we have identified a useful case with a graphene-silica front electrode that improves upon ITO. For both electrode technologies, we simulate the weighted absorption in the active layer of planar amorphous silicon-based solar cells with a silver back-reflector. The graphene device shows a significantly increased absorbance compared to ITO-based cells for a large range of silicon thicknesses (34.4% versus 30.9% for a 300 nm thick silicon layer), and this result persists over a wide range of incidence angles.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

A qualitative study of marginalized students’ academic, physical, and social self-efficacy in a multiweek geoscience field program

Undergraduate summer field programs are valuable experiences that can foster or reduce students’ self-efficacy, an important factor in students’ success and retention in geoscience. Growing research findings show that science field experiences can be hostile and unwelcoming to students with marginalized identities, which may negatively impact their self-efficacy in geoscience, a discipline with a dearth of students from underrepresented, marginalized identities. We conducted an interpretive qualitative study examining how summer geoscience field programs affected two undergraduate, marginalized students’ self-efficacy. Adding to existing theoretical explanations of self-efficacy, we identified three types of self-efficacy impacted positively and negatively by geoscience field experiences: academic, physical, and social self-efficacy. We developed a nuanced understanding of the specific field experiences that influenced the ‘ups and downs’ of students’ self-efficacy and, ultimately, their intent in continuing to pursue a geoscience education or career. Despite negative experiences, including gender discrimination, crude sexual jokes, and a lack of belonging, the students described their intent to persist in geoscience. Here, our findings can assist geoscience educators (and others in field-based sciences) to consider experiences that support and hinder marginalized students’ self-efficacy. Also, our findings can guide efforts to improve geoscience field programs to create more inclusive environments.

case study↗
DOE OSTI2023

An Investigation on the Pollen-Induced Soiling Losses in Utility-Scale PV Plants

Here in this study, the impact of pollen as a PV soiling agent is investigated. The performance data of five utility-scale PV plants in North Carolina, USA, was collected and analyzed using two soiling extraction methods. Satellite and environmental data, including pollen counts, cropland, and vegetation, was also collected and analyzed to identify impacts to soiling losses. During the spring peak pollen season, performance losses of >15% were observed at all five sites. Partial performance recoveries following the pollen season were slow, with lack of correlation with rainfall. This means that the statistical soiling estimation methods that assume abrupt performance recovery from rain are not appropriate for pollen-impacted solar sites. When manual cleanings were performed on site the performance recovery ranged from 5% to 11% indicating persistent soiling impacts are present in this region. The results of this work provide new insights into the phenomenon of pollen deposition on PV systems, demonstrating that 1) soiling can also affect systems located in rainy locations and 2) that its effects cannot be determined using the current estimation methodologies.

14 SOLAR ENERGY↗
DOE OSTI2013

Documentation of a Linked-Population Viability Model to Evaluate Recovery Options for Snake River Fall Chinook Salmon

We developed an age- and life-history based population viability analysis model for linked populations of fall Chinook salmon (LPVA). LPVA was designed to quantify the costs and benefits of re-establishing access to an upstream spawning area using managed reconnection options such as hatchery stocking and translocation. The model incorporates stochasticity in the age at which salmon return to spawn, sex ratio, juvenile life history, and survival rates. Response variables include the proportion of replicate populations that persisted for 80 y (roughly 20 generations), the linked population’s growth rate, λ, time to extinction and summaries of population sizes including average female spawner abundance, final female spawner abundance, and total female abundance. This report attempts to provide a complete model description, including simulation of management options and options for simulating forward with a joint distribution of parameters based on their likelihoods with respect to historical data. Intermediate results illustrating the Bayesian approach to identifying poorly-known parameters are reported here. LPVA simulates reconnection of linked populations by representing management processes such as trapping of adults migrating upstream at two dams and juveniles migrating downstream, and hatchery operations for one or two hatcheries. The purpose of the model is to support efforts to recover the threatened Snake River fall Chinook salmon ESU by evaluating population viability using existing spawning areas with and without a hatchery and to assess the potential costs and benefits of programs to re-establish an upstream spawning area.

Jager, Henriette (Yetta) I.↗