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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 1,009 records · Page 56
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Revisiting radiative deep-level transitions in CuGaSe{sub 2} by photoluminescence

Recent defect calculations suggest that the open circuit voltage of CuGaSe{sub 2} solar cells can be limited by deep intrinsic electron traps by Ga{sub Cu} antisites and their complexes with Cu-vacancies. To gain experimental evidence, two radiative defect transitions at 1.10 eV and 1.24 eV are characterized by steady-state photoluminescence on epitaxial-grown CuGaSe{sub 2} thin films. Cu-rich samples are studied, since they show highest crystal quality, exciton luminescence, and no potential fluctuations. Variations of the laser intensity and temperature dependent measurements suggest that emission occurs from two deep donor-like levels into the same shallow acceptor. At 10 K, power-law exponents of 1 (low excitation regime) and 1/2 (high excitation regime) are observed identically for both transitions. The theory and a fitting function for the double power law is derived. It is concluded that the acceptor becomes saturated by excess carriers which changes the exponent of all transitions. Activation energies determined from the temperature quenching depend on the excitation level and show unexpected values of 600 meV and higher. The thermal activation of non-radiative processes can explain the distortion of the ionization energies. Both the deep levels play a major role as radiative and non-radiative recombination centers for electrons and can be detrimental for photovoltaic applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Deep eutectic solvents as green and sustainable diluents in headspace gas chromatography for the determination of trace level genotoxic impurities in pharmaceuticals

Genotoxic impurities (GTIs) are potential carcinogens that need to be controlled down to ppm or lower concentration levels in pharmaceuticals under strict regulations. The static headspace gas chromatography (HS-GC) coupled with electron capture detection (ECD) is an effective approach to monitor halogenated and nitroaromatic genotoxins. Deep eutectic solvents (DESs) possess tunable physico-chemical properties and low vapor pressure for HS-GC methods. In this study, zwitterionic and non-ionic DESs have been used for the first time to develop and validate a sensitive analytical method for the analysis of 24 genotoxins at sub-ppm concentrations. Compared to non-ionic diluents, zwitterionic DESs produced exceptional analytical performance and the betaine: 7 (1,4- butane diol) DES outperformed the betaine: 5 (1,4-butane diol) DES. Limits of detection (LOD) down to the 5-ppb concentration level were achieved in DESs. Wide linear ranges spanning over 5 orders of magnitude (0.005–100 µg g –1 ) were obtained for most analytes with exceptional sensitivities and high precision. The method accuracy and precision were validated using 3 commercially available drug substances and excellent recoveries were obtained. Finally, this study broadens the applicability of HS-GC in the determination of less volatile GTIs by establishing DESs as viable diluent substitutes for organic solvents in routine pharmaceutical analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

DeepDist: real-value inter-residue distance prediction with deep residual convolutional network

Abstract Background Driven by deep learning, inter-residue contact/distance prediction has been significantly improved and substantially enhanced ab initio protein structure prediction. Currently, most of the distance prediction methods classify inter-residue distances into multiple distance intervals instead of directly predicting real-value distances. The output of the former has to be converted into real-value distances to be used in tertiary structure prediction. Results To explore the potentials of predicting real-value inter-residue distances, we develop a multi-task deep learning distance predictor (DeepDist) based on new residual convolutional network architectures to simultaneously predict real-value inter-residue distances and classify them into multiple distance intervals. Tested on 43 CASP13 hard domains, DeepDist achieves comparable performance in real-value distance prediction and multi-class distance prediction. The average mean square error (MSE) of DeepDist’s real-value distance prediction is 0.896 Å 2 when filtering out the predicted distance ≥ 16 Å, which is lower than 1.003 Å 2 of DeepDist’s multi-class distance prediction. When distance predictions are converted into contact predictions at 8 Å threshold (the standard threshold in the field), the precision of top L/5 and L/2 contact predictions of DeepDist’s multi-class distance prediction is 79.3% and 66.1%, respectively, higher than 78.6% and 64.5% of its real-value distance prediction and the best results in the CASP13 experiment. Conclusions DeepDist can predict inter-residue distances well and improve binary contact prediction over the existing state-of-the-art methods. Moreover, the predicted real-value distances can be directly used to reconstruct protein tertiary structures better than multi-class distance predictions due to the lower MSE. Finally, we demonstrate that predicting the real-value distance map and multi-class distance map at the same time performs better than predicting real-value distances alone.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Anthropogenic influences on groundwater in the vicinity of a long-lived radioactive waste repository: Anthropogenic influences on groundwater

The groundwater flow system in the Culebra Dolomite Member (Culebra) of the Permian Rustler Formation is a potential radionuclide release pathway from the Waste Isolation Pilot Plant (WIPP), the only deep geological repository for transuranic waste in the United States. We did not expect that early conceptual models of the Culebra, groundwater levels would fluctuate markedly, except in response to long-term climatic changes, with response times on the order of hundreds to thousands of years. Recent groundwater pressures measured in monitoring wells record more than 25 m of drawdown. The fluctuations are attributed to pumping activities at a privately-owned well that may be associated with the demand of the Permian Basin hydrocarbon industry for water. Furthermore, the unprecedented magnitude of drawdown provides an opportunity to quantitatively assess the influence of unplanned anthropogenic forcings near the WIPP. Spatially variable realizations of Culebra saturated hydraulic conductivity and storativity were used to develop groundwater flow models to estimate a pumping rate for the private well and investigate its effect on advective transport. Simulated drawdown shows reasonable agreement with observations (average Model Efficiency coefficient = 0.7). Steepened hydraulic gradients associated with the pumping reduce estimates of conservative particle travel times across the domain by one-half and shift the intersection of the average particle track with the compliance boundary by more than two kilometers. Finally, the value of the transient simulations conducted for this study lie in their ability to (i) improve understanding of the Culebra groundwater flow system and (ii) challenge the notion of time-invariant land use in the vicinity of the WIPP.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Sizable NSI from the SU(2) L scalar doublet-singlet mixing and the implications in DUNE

Here, we propose a novel and simple mechanism where sizable effects of non-standard interactions (NSI) in neutrino propagation are induced from the mixing between an electrophilic second Higgs doublet and a charged singlet. The mixing arises from a dimensionful coupling of the scalar doublet and singlet to the standard model Higgs boson. In light of the small mass, the light mass eigenstate from the doublet-singlet mixing can generate much larger NSI than those induced by the heavy eigenstate. We show that a sizable NSI ε eτ (~0.3) can be attained without being excluded by a variety of experimental constraints. Furthermore, we demonstrate that NSI can mimic effects of the Dirac CP phase in the neutrino mixing matrix but they can potentially be disentangled by future long-baseline neutrino experiments, such as the Deep Underground Neutrino Experiment (DUNE).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Pan-cancer proteogenomics characterization of tumor immunity

Despite the successes of immunotherapy in cancer treatment over recent decades, less than <10%–20% cancer cases have demonstrated durable responses from immune checkpoint blockade. To enhance the efficacy of immunotherapies, combination therapies suppressing multiple immune evasion mechanisms are increasingly contemplated. To better understand immune cell surveillance and diverse immune evasion responses in tumor tissues, we comprehensively characterized the immune landscape of more than 1,000 tumors across ten different cancers using CPTAC pan-cancer proteogenomic data. We identified seven distinct immune subtypes based on integrative learning of cell type compositions and pathway activities. We then thoroughly categorized unique genomic, epigenetic, transcriptomic, and proteomic changes associated with each subtype. Further leveraging the deep phosphoproteomic data, we studied kinase activities in different immune subtypes, which revealed potential subtype-specific therapeutic targets. Insights from this work will facilitate the development of future immunotherapy strategies and enhance precision targeting with existing agents.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Assessing global fossil fuel availability in a scenario framework

This study assesses global, long-term economic availability of coal, oil and gas within the Shared Socio-economic Pathway (SSP) scenario framework considering alternative assumptions as to highly uncertain future developments of technology, policy and the economy. Diverse sets of trajectories are formulated varying the challenges to mitigation and adaptation of climate change. The potential CO2 emissions from fossil fuels make it a crucial element subject to deep uncertainties. The analysis is based on a well-established data set of cost-quantity combinations that assumes favorable techno-economic developments, but ignores additional constraints on the extraction sector. This study significantly extends that analysis to include alternative assumptions for the fossil fuel sector consistent with the SSP scenario families and applies these filters to the original data set, thus resulting in alternative cumulative fossil fuel availability curves. In a Middle-of-the-Road scenario, low cost fossil fuels embody carbon consistent with a RCP6.0 emission profile, if all the CO2 were emitted freely during the 21st century. In scenarios with high challenges to mitigation, the assumed embodied carbon in low-cost fossil fuels can trigger a RCP8.5 scenario; low mitigation challenges scenarios are still consistent with a RCP4.5 scenario.

Extraction Cost↗
DOE OSTI2015

Coupled Geochemical Impacts of Leaking CO2 and Contaminants from Subsurface Storage Reservoirs on Groundwater Quality

The leakage of CO2 and the concomitant saline solutions from deep storage reservoirs to overlying groundwater aquifers is considered one of the major potential risks associated with geologic CO2 sequestration (GCS). Batch and column experiments were conducted to determine the fate of trace metals in groundwater in the scenarios of CO2 and metal contaminated brine leakage. The sediments used in this work were collected from an unconsolidated sand and gravel aquifer in Kansas, and contained 0-4 wt% carbonates. Cd and As were spiked into the reaction system to represent potential contaminants from the reservoir brine that could intrude into groundwater aquifers with leaking CO2 at initial concentrations of 114 and 40 ppb, respectively. Through this research we demonstrated that Cd and As were adsorbed on the sediments, in spite of the lowered pH due to CO2 dissolution in the groundwater. Cd concentrations were well below its MCL in both batch and column studies, even for sediment samples without detectable carbonate to buffer the pH. Arsenic concentrations in the effluent were also significantly lower than influent concentration, suggesting that the sediments tested have the capacity to mitigate the coupled adverse effects of CO2 leakage and brine intrusion. However, the mitigation capacity of sediment is a function of its geochemical properties [e.g., the calcite content; the presence of adsorbed As(III); and the presence of P in the natural sediment]. The competitive adsorption between phosphate and arsenate may result in higher concentrations of As in the aqueous phase.

geological CO2 sequestration, groundwater quality,↗
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 OSTI2020

Application of deep neural networks to improve diagnostic accuracy of rheumatoid arthritis using diffuse optical tomography

A set of deep neural network models for rheumatoid arthritis (RA) classification using a highway network, a convolutional neural network and a residual network is proposed based on the data of diffuse optical tomography (DOT) utilising near-infrared light, which ensures early diagnosis of pathophysiological changes resulting from inflammation. A numerical model of the finger is used to generate images to overcome the inherent problem of insufficient clinical DOT images available. The proposed deep neural network models are applied to automatically classify simulated DOT images of inflamed and non-inflamed joints and transfer learning is also used to improve the performance of the classification. The results demonstrate that all three deep neural network methods improve the diagnostic accuracy as compared to the widely applied support vector machine (SVM), especially for high inter-subject variability databases. In cases of distinct modelled severity of disease, residual network achieved the highest accuracy (> 99 %), and both of highway and convolutional neural networks reached 99 %, respectively. However, as the severity of the modelled disease is reduced, this accuracy is reduced to 75.2 % for residual networks. The results indicate that transfer learning can improve the performance of deep neural network methods on RA classification from DOT data and highlight their potential as a computer aided tool in DOT diagnostic systems. (paper)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Search for extended Lyman-α emission around 9k quasars at z = 2–3

ABSTRACT Enormous Lyα nebulae (ELANe) around quasars have provided unique insights into the formation of massive galaxies and their associations with super-massive black holes since their discovery. However, their detection remains highly limited. This paper introduces a systematic search for extended Lyα emission around 8683 quasars at z = 2.34–3.00 using a simple but very effective broad-band gri selection based on the Third Public Data Release of the Hyper Suprime-Cam Subaru Strategic Program. Although the broad-band selection detects only bright Lyα emission (≳ 1 × 10−17 erg s−1cm−2 arcsec−2) compared with narrow-band imaging and integral field spectroscopy, we can apply this method to far more sources than such common approaches. We first generated continuum g-band images without contributions from Lyα emission for host and satellite galaxies using r- and i-bands. Then, we established Lyα maps by subtracting them from observed g-band images with Lyα emissions. Consequently, we discovered extended Lyα emission (with masked area >40 arcsec2) for 7 and 32 out of 366 and 8317 quasars in the Deep and Ultra-deep (35 deg2) and Wide (890 deg2) layers, parts of which may be potential candidates of ELANe. However, none of them seem to be equivalent to the largest ELANe ever found. We detected higher fractions of quasars with large nebulae around more luminous or radio-loud quasars, supporting previous results. Future applications to the forthcoming big data from the Vera C. Rubin Observatory will help us detect more promising candidates. The source catalogue and obtained Lyα properties for all the quasar targets are accessible as online material.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Dynamic asymmetric strain imprinted into substrates by an oxide thin film

In film-substrate systems, the substrate role is often considered to be limited to providing static mechanical constraints. Dynamic film-substrate interactions when a structural change in the film modifies the substrate are generally disregarded. Here, using combined x-ray and electron microscopies, we observed that an electrically induced filament in a vanadium dioxide film created strong asymmetric strain in an underlying sapphire substrate. This asymmetric substrate strain fed back into the film and defined the filament expansion direction, revealing the importance of film-substrate dynamic interactions in determining film functionality. Furthermore, the strain imprint propagated at least tens of micrometers deep into the substrate, exceeding the film thickness by more than 200-fold, potentially enabling substrate functionalization as an active mechanical coupling media in three-dimensional integrated microelectronic architectures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Externally Forced and Internally Generated Decadal Climate Variability Associated with the Interdecadal Pacific Oscillation

Globally averaged surface air temperatures in some decades reflect rapid increases (accelerated warming decades), and in other decades there is no warming trend (hiatus decades). A previous report showed that the net energy imbalance at the top of the atmosphere of about 1 W m –2 is associated with greater increases of deep ocean heat content below 750 m during the hiatus decades, while there is little globally averaged surface temperature increase or warming in the upper ocean layers. Here the authors observe processes involved with accelerated warming decades and address the relative roles of external forcing from increasing greenhouse gases and internally generated decadal climate variability associated with interdecadal Pacific oscillation (IPO). Model results from the Community Climate System Model, version 4 (CCSM4), show that accelerated warming decades are characterized by rapid warming of globally averaged surface air temperature, greater increases of heat content in the upper ocean layers, and less heat content increase in the deep ocean, opposite to the hiatus decades. In addition to contributions from processes potentially linked to Antarctic Bottom Water (AABW) formation and the Atlantic meridional overturning circulation (AMOC), the positive phase of the IPO, adding to the response to external forcing, is usually associated with accelerated warming decades. Conversely, hiatus decades typically occur with the negative phase of the IPO, when warming from the external forcing is overwhelmed by internally generated cooling in the tropical Pacific. Internally generated hiatus periods of up to 15 years with zero global warming trend are present in the future climate simulations. This suggests that there is a chance that the current observed hiatus could extend for several more years.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2012

Experimental Investigation of the Effective Foam Viscosity in Unsaturated Porous Media

Foam has the potential to effectively carry and distribute either aqueous or gaseous amendments to the deep vadose zone for contaminant remediation. However, the transport of foam in porous media is complicated because flow characteristics such as the effective viscosity are affected not only by foam properties but also by the sediment properties and flow conditions. We determined the average effective foam viscosity via a series of laboratory experiments and found that the effective foam viscosity increased with the liquid fraction in foam, the injection rate, and sediment permeability. These impacts are quantified with an empirical expression, which is further demonstrated with data from literature. The results show that the liquid fraction in foam and sediment permeability are two primary factors affecting effective foam viscosity. These results suggest that, when foam is used in deep vadose zone remediation, foam flow will not suffer from gravitational drainage and can distribute amendments uniformly in heterogeneous sediments.

Deep Vadoze Zone↗
DOE OSTI2019

R&D and Implementation Outcomes from the U.S.-India Bilateral Center for Building Energy Research and Development Program

This paper explores the role of international partnerships to facilitate low-energy building design, construction, and operations. We present the strategic approach, joint research and development outcomes, and implementation activities of a unique U.S.-India program on buildings energy efficiency, the Center for Building Energy Research and Development. We discuss the collaboration successes in both countries despite their dissimilar building contexts, implementation challenges and opportunities. We highlight a range of R&D outcomes, such as novel tools and technologies developed and tested by the joint teams, with their technical energy savings potential, as well as results of capacity building and technology demonstrations. A deep-dive into key new scientific methods around building energy monitoring and benchmarking that could have a significant impact on high-performance of buildings in both countries is also provided. Finally, in addition to joint R&D successes, pathways to deployment, and lessons learned are discussed as key takeaways.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2019

SpecTel: A 10-12 meter class Spectroscopic Survey Telescope

We recommend a conceptual design study for a spectroscopic facility in the southern hemisphere comprising a large diameter telescope, fiber system, and spectrographs collectively optimized for massively-multiplexed spectroscopy. As a baseline, we propose an 11.4-meter aperture, optical spectroscopic survey telescope with a five square degree field of view. Using current technologies, the facility could be equipped with 15,000 robotically-controlled fibers feeding spectrographs over 360<λ<1330 nm with options for fiber-fed spectrographs at high resolution and a panoramic IFU at a separate focus. This would enable transformational progress via its ability to access a larger fraction of objects from Gaia, LSST, Euclid, and WFIRST than any currently funded or planned spectroscopic facility. An ESO-sponsored study (arXiv:1701.01976) discussed the scientific potential in ambitious new spectroscopic surveys in Galactic astronomy, extragalactic astronomy, and cosmology. The US community should establish links with European and other international communities to plan for such a powerful facility and maximize the potential of large aperture multi-object spectroscopy given the considerable investment in deep imaging surveys.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

Simulation Studies Of Photon Signal Reconstruction In The DUNE Single Phase Far Detector With Xe Doping

Xenon when doped to argon has the potential to increase the effectiveness of scintillation systems in liquid argon time projection chambers (LArTPC). To test the potential improvements, a simulation study was conducted. A simulation of light going through liquid Argon and Xenon photon libraries (photon libraries are used to reduce the amount of computational power needed for interactions that produce a large amount of photons), comparing differences in their properties. The study found more light being emitted in a shorter time by Xe than by Ar with less attenuation present. Preliminary results show lower efficiency of Ar at closer distances. It's unclear whether this is due to inherit properties of the Xe or a result of selection cuts not being optimized. These potential improvements are being looked into for future neutrino experiments such as the Deep Underground Neutrino Experiment (DUNE).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Using Machine Learning to Identify Optimum Prospects for Offshore Geologic CO 2 Storage and Enhanced Oil Recovery in the Gulf of Mexico

The SECARB Offshore Partnership is a government-industry partnership focused on assembling the knowledge base required for secure, long-term, large-scale CO 2 subsea storage in saline formations and mature oil reservoirs. The SECARB Offshore Partnership is evaluating potential storage opportunities in the Central and Eastern planning areas of the outer continental shelf (OCS) of the Gulf of Mexico. The evaluation focuses on active and depleted oil and gas fields and potentially associated CO 2 -enhanced oil recovery (CO 2 -EOR), as well as, deep saline storage resources. As part of Subtask 3.0 (Offshore Storage Resources Characterization) and Subtask 4.0 (Risk Assessment, Simulation, and Modeling), Oklahoma State University (OSU) is developing a machine learning system that employs the SAS Institute’s Viya platform with visual data mining and machine learning to identify and characterize optimum prospects for enhanced oil recovery and stacked storage in saline reservoirs. This report summarizes this effort to date and discusses the many variables that can be used to characterize these storage objectives, as well as, the design vision of the Viya machine learning system.

02 PETROLEUM↗