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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 OSTI2022

FAIR principles for AI models with a practical application for accelerated high energy diffraction microscopy

Abstract A concise and measurable set of FAIR (Findable, Accessible, Interoperable and Reusable) principles for scientific data is transforming the state-of-practice for data management and stewardship, supporting and enabling discovery and innovation. Learning from this initiative, and acknowledging the impact of artificial intelligence (AI) in the practice of science and engineering, we introduce a set of practical, concise, and measurable FAIR principles for AI models. We showcase how to create and share FAIR data and AI models within a unified computational framework combining the following elements: the Advanced Photon Source at Argonne National Laboratory, the Materials Data Facility, the Data and Learning Hub for Science, and funcX, and the Argonne Leadership Computing Facility (ALCF), in particular the ThetaGPU supercomputer and the SambaNova DataScale ® system at the ALCF AI Testbed. We describe how this domain-agnostic computational framework may be harnessed to enable autonomous AI-driven discovery.

47 OTHER INSTRUMENTATION↗
DOE OSTI2017

Enhancements to VTK enabling Scientific Visualization in Immersive Environments

Modern scientific, engineering and medical computational sim- ulations, as well as experimental and observational data sens- ing/measuring devices, produce enormous amounts of data. While statistical analysis provides insight into this data, scientific vi- sualization is tactically important for scientific discovery, prod- uct design and data analysis. These benefits are impeded, how- ever, when scientific visualization algorithms are implemented from scratch—a time-consuming and redundant process in im- mersive application development. This process can greatly ben- efit from leveraging the state-of-the-art open-source Visualization Toolkit (VTK) and its community. Over the past two (almost three) decades, integrating VTK with a virtual reality (VR) environment has only been attempted to varying degrees of success. In this pa- per, we demonstrate two new approaches to simplify this amalga- mation of an immersive interface with visualization rendering from VTK. In addition, we cover several enhancements to VTK that pro- vide near real-time updates and efficient interaction. Finally, we demonstrate the combination of VTK with both Vrui and OpenVR immersive environments in example applications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

How to Decarbonize Our Energy Systems: Process‐Informed Design of New Materials for Carbon Capture

Decarbonisation from a variety of industrial and power emission sectors highlights a marked need for capture technologies that can be optimized for different CO 2 sources and integrated into an equally diverse range of applications of captured CO 2 as a feedstock. Some capture technologies are already operated at an industrial scale but may not be optimal for all required applications. Advanced tailored sorbent-based technologies allow flexible operation and reduced costs as they offer higher capture capacities and significantly lower energy penalties than the state-of-the-art systems. To accelerate the discovery, development, and deployment of novel advanced materials, it is critically important that efforts between experimentalists, theoreticians, and process engineers are coordinated. The PrISMa project addresses this challenge by integrating materials design with process design and environmental considerations to allow for tailor-making carbon capture solutions optimally tuned for local sources and sinks. In this article, we highlight some of the recent results obtained with the PrISMa platform.

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

Patient position alters attenuation effects in multipinhole cardiac SPECT

Purpose: Dedicated cardiac cameras offer improved sensitivity over conventional SPECT cameras. Sensitivity gains are obtained by large numbers of detectors and novel collimator arrangements such as an array of multiple pinholes that focus on the heart. Pinholes lead to variable amounts of attenuation as a source is moved within the camera field of view. This study evaluated the effects of this variable attenuation on myocardial SPECT images. Methods: Computer simulations were performed for a set of nine point sources distributed in the left ventricular wall (LV). Sources were placed at the location of the heart in both an anthropomorphic and a water-cylinder computer phantom. Sources were translated in x, y, and z by up to 5 cm from the center. Projections were simulated with and without attenuation and the changes in attenuation were compared. A LV with an inferior wall defect was also simulated in both phantoms over the same range of positions. Real camera data were acquired on a Discovery NM530c camera (GE Healthcare, Haifa, Israel) for five min in list-mode using an anthropomorphic phantom (DataSpectrum, Durham, NC) with 100 MBq of Tc-99m in the LV. Images were taken over the same range of positions as the simulations and were compared based on the summed perfusion score (SPS), defect width, and apparent defect uptake for each position. Results: Point sources in the water phantom showed absolute changes in attenuation of ≤8% over the range of positions and relative changes of ≤5% compared to the apex. In the anthropomorphic computer simulations, absolute change increased to 20%. The changes in relative attenuation caused a change in SPS of <1.5 for the water phantom but up to 4.2 in the anthropomorphic phantom. Changes were larger for axial than for transverse translations. These results were supported by SPS changes of up to six seen in the physical anthropomorphic phantom for axial translations. Defect width was also seen to significantly increase. The position-dependent changes were removed with attenuation correction. Conclusions: Translation of a source relative to a multipinhole camera caused only small changes in homogeneous phantoms with SPS changing <1.5. Inhomogeneous attenuating media cause much larger changes to occur when the source is translated. Changes in SPS of up to six were seen in an anthropomorphic phantom for axial translations. Attenuation correction removes the position-dependent changes in attenuation.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Translational Science for Energy and Beyond

A clear challenge for the coming decades is decreasing the carbon intensity of the global energy supply while simultaneously accommodating a rapid worldwide increase in power demand. Meeting this challenge of providing abundant, clean energy undoubtedly requires synergistic efforts between basic and applied researchers in the chemical sciences to develop and deploy new technologies. Among the available options, solar energy is one of the promising targets because of the high abundance of solar photons over much of the globe. Similarly, decarbonization of the global energy supply will require clean sources of hydrogen to use as reducing equivalents for fuel and chemical feedstocks. In this report, we discuss the importance of translational research -- defined as work that explicitly targets basic discovery as well as technology development -- in the context of photovoltaics and solar fuels. We focus on three representative research programs encompassing translational research in government, industry, and academia. We then discuss more broadly the benefits and challenges of translational research models and offer recommendations for research programs that address societal challenges in the energy sector and beyond.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

Phosphorus-rich stars with unusual abundances are challenging theoretical predictions

Almost all chemical elements have been made by nucleosynthetic reactions in various kind of stars and have been accumulated along our cosmic history. Among those elements, the origin of phosphorus is of extreme interest because it is known to be essential for life such as we know on Earth. However, current models of (Galactic) chemical evolution under-predict the phosphorus we observe in our Solar System. Here we report the discovery of 15 phosphorus-rich stars with unusual overabundances of O, Mg, Si, Al, and Ce. Phosphorus-rich stars likely inherit their peculiar chemistry from another nearby stellar source but their intriguing chemical abundance pattern challenge the present stellar nucleosynthesis theoretical predictions. Specific effects such as rotation or advanced nucleosynthesis in convective-reactive regions in massive stars represent the most promising alternatives to explain the existence of phosphorus-rich stars. The phosphorus-rich stars progenitors may significantly contribute to the phosphorus present on Earth today.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

NuSTAR DISCOVERY OF A CYCLOTRON LINE IN KS 1947+300

We present a spectral analysis of three simultaneous Nuclear Spectroscopy Telescope Array and Swift/XRT observations of the transient Be-neutron star binary KS 1947+300 taken during its outburst in 2013/2014. These broadband observations were supported by Swift/XRT monitoring snapshots every three days, which we use to study the evolution of the spectrum over the outburst. We find strong changes of the power-law photon index, which shows a weak trend of softening with increasing X-ray flux. The neutron star shows very strong pulsations with a period of P ≈ 18.8 s. The 0.8-79 keV broadband spectrum can be described by a power law with an exponential cutoff and a blackbody component at low energies. During the second observation we detect a cyclotron resonant scattering feature at 12.5 keV, which is absent in the phase-averaged spectra of observations 1 and 3. Pulse phase-resolved spectroscopy reveals that the strength of the feature changes strongly with pulse phase and is most prominent during the broad minimum of the pulse profile. At the same phases the line also becomes visible in the first and third observation at the same energy. This discovery implies that KS 1947+300 has a magnetic field strength of B ≈ 1.1 × 10{sup 12}(1 + z) G, which is at the lower end of known cyclotron line sources.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Follow-up observations for IceCube-170922A: Detection of rapid near-infrared variability and intensive monitoring of TXS 0506+056

Abstract We present our follow-up observations to search for an electromagnetic counterpart of the IceCube high-energy neutrino IceCube-170922A. Monitoring observations of a likely counterpart, TXS 0506+056, are also described. First, we quickly took optical and near-infrared images of seven flat-spectrum radio sources within the IceCube error region right after the neutrino detection and found a rapid flux decline of TXS 0506+056 in Kanata/HONIR J-band data. Motivated by this discovery, intensive follow-up observations of TXS 0506+056 were continuously performed, including our monitoring imaging observations, spectroscopic observations, and polarimetric observations in optical and near-infrared wavelengths. TXS 0506+056 showed a large-amplitude (∼1.0 mag) variability in a time scale of several days or longer, although no significant variability was detected in a time scale of a day or shorter. TXS 0506+056 also showed a bluer-when-brighter trend in optical and near-infrared wavelengths. Structure functions of the variabilities were examined and indicate that TXS 0506+056 is not a special blazar in terms of optical variability. Polarization measurement results of TXS 0506+056 are also discussed.

(galaxies:) BL Lacertae objects: general↗
DOE OSTI2017

Enhancing reproducibility in scientific computing: Metrics and registry for Singularity containers

Here we present Singularity Hub, a framework to build and deploy Singularity containers for mobility of compute, and the singularity-python software with novel metrics for assessing reproducibility of such containers. Singularity containers make it possible for scientists and developers to package reproducible software, and Singularity Hub adds automation to this workflow by building, capturing metadata for, visualizing, and serving containers programmatically. Our novel metrics, based on custom filters of content hashes of container contents, allow for comparison of an entire container, including operating system, custom software, and metadata. First we will review Singularity Hub’s primary use cases and how the infrastructure has been designed to support modern, common workflows. Next, we conduct three analyses to demonstrate build consistency, reproducibility metric and performance and interpretability, and potential for discovery. This is the first effort to demonstrate a rigorous assessment of measurable similarity between containers and operating systems. We provide these capabilities within Singularity Hub, as well as the source software singularity-python that provides the underlying functionality. Singularity Hub is available at https://singularity-hub.org, and we are excited to provide it as an openly available platform for building, and deploying scientific containers.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

The Zwicky Transient Facility Bright Transient Survey. III. BTSbot: Automated Identification and Follow-up of Bright Transients with Deep Learning

Abstract The Bright Transient Survey (BTS) aims to obtain a classification spectrum for all bright ( m peak ≤ 18.5 mag) extragalactic transients found in the Zwicky Transient Facility (ZTF) public survey. BTS critically relies on visual inspection (“scanning”) to select targets for spectroscopic follow-up, which, while effective, has required a significant time investment over the past ∼5 yr of ZTF operations. We present BTSbot , a multimodal convolutional neural network, which provides a bright transient score to individual ZTF detections using their image data and 25 extracted features. BTSbot is able to eliminate the need for daily human scanning by automatically identifying and requesting spectroscopic follow-up observations of new bright transient candidates. BTSbot recovers all bright transients in our test split and performs on par with scanners in terms of identification speed (on average, ∼1 hr quicker than scanners). We also find that BTSbot is not significantly impacted by any data shift by comparing performance across a concealed test split and a sample of very recent BTS candidates. BTSbot has been integrated into Fritz and Kowalski , ZTF’s first-party marshal and alert broker, and now sends automatic spectroscopic follow-up requests for the new transients it identifies. Between 2023 December and 2024 May, BTSbot selected 609 sources in real time, 96% of which were real extragalactic transients. With BTSbot and other automation tools, the BTS workflow has produced the first fully automatic end-to-end discovery and classification of a transient, representing a significant reduction in the human time needed to scan.

Rehemtulla, Nabeel (ORCID:0000000256832389)↗
NASA NTRS2001

Versatile Vials

Advanced Fuel Research, Inc. (AFR) developed a new sol-gel material coating for sample vials to be used in surface-enhanced Raman (SER) spectroscopy. In the fields of biomedical and forensic science, the coated vials are used to identify physiological chemicals present in blood and urine. The vials are used in the pharmaceutical industry in the area of drug development and discovery. In the drug enforcement field, using the vials helps with detection of trace amounts of drugs on surfaces. The SER vials will also help to identify contaminants in water sources, such as various inorganics and pesticides. The new vials have advantages over other SER materials. Former products required that samples be pre-mixed or dissolved into specific solvents or reagents. The SER vials do not have these limitations, and measurements can be performed using any solvent. Furthermore, the signal appears in less than one second. The sol-gel material will stay active for at least one year and the vials are compatible with any Raman spectrometer. Most importantly, the SER activity can be duplicated from vial-to-vial, allowing for reproducible results.

Source record↗
NASA NTRS2007

Fast X-ray Oscillations during Magnetar Flares

The giant flares produced by highly magnetized neutron stars, "magnetars," are the brightest sources of high energy radiation outside our solar system. Serendipitous observations with NASA's Rossi X-ray Timing Explorer (RXTE) of the two most recent flares resulted in the discovery of high frequency oscillations in their X-ray fluxes. The frequencies of these oscillations range from approx. 20 Hz to as high as 1800 Hz, and may represent the first detection of global oscillation modes of neutron stars. Here I will present an observational and theoretical overview of these oscillations and discuss how they might allow us to probe neutron star interiors and dense matter physics.

Strohmayer, Tod E.↗
NASA NTRS2008

First Science with the Keck Interferometer Nuller High Spatial Resolution N-Band Observations of the Recurrent Nova RS Ophiuchi

We report observations of the nova RS 0phiuchi using the Keck Interferometer Nuller (KIN) taken approximately 3.8 days following the most recent outburst that occurred on 2006 February 12. The KIN operates in N-band from approx. 8 to 12.5 microns in a nulling mode - the sparse aperture equivalent of the conventional coronagraphic technique used in filled aperture te1escopes. In this mode the stellar light is suppressed by a destructive fringe, effectively enhancing the contrast of the circumstellar material located near the star. In a second, constructive-fringe mode, the instrument detects primarily the light from the central, bright source. These are the outer and inner spatial regimes, resprectively. We will describe the capabilities of the KIN, including these unique modes, and outline how they were key in our discovery that dust does not appear to be created in the outburst as in previous models, but instead was created between nova events. We also show how these first results from the KIN are consistent with Spitzer data. The KIN data show evidence of enhanced neutral atomic hydrogen emission and atomic metals including silicon located in the inner spatial regime near the white dwarf (WD) relative to the outer regime. There are also nebular emission lines and evidence of hot silicate dust in the outer spatial region, centered at approximately 17 AU from the WD, that are not found in the inner regime. The KIN and Spitzer data suggest that these emissions were excited by the nova flash in the outer spatial regime before the blast wave reached these regions. We describe the present results in terms of a new model for dust creation in recurrent novae that includes an increase in density in the plane of the orbit of the two stars created by a spiral shock wave caused by the motion of the stars through the cool wind of the red giant star. These data show the power and potential of the nulling technique which has been developed for the detection of Earth-like planets around nearby stars for the Terrestrial Planet Finder and Darwin missions.

Barry, Richard K.↗
NASA NTRS2016

PAH Spectroscopy: Past, Present and Future

Since their discovery in the 1970's, astronomers, astrophysicists and astrochemists have been intrigued by the nearly ubiquitous unidentified infrared emission (UIR) bands. In the 1980's, investigators determined the most probably source of these emissions was a family of molecules known as Polycyclic Aromatic Hydrocarbons or simply PAHs. In order to better understand these interstellar IR features and utilize them as chemical probes of the cosmos, laboratory spectroscopists have spent the last three decades investigating the spectroscopy of PAHs under astrophysically relevant conditions. This presentation will discuss the similarities and differences in the spectroscopic properties of PAHs as one goes from the Far to Mid to Near infrared wavelength regions and probe the changes observed in PAH spectra as they go from neutral to ionized molecules suspended in an inert gas matrix, to PAHs in a water ice matrix and as a thin film. In selected instances, the experimental results will be compared to theoretical values. The presentation will conclude with a discussion on the future directions of PAH spectroscopy.

spectroscopic properties of PAHs↗
NASA NTRS2017

OGLE-2016-BLG-1469L: Microlensing Binary Composed of Brown Dwarfs

We report the discovery of a binary composed of two brown dwarfs, based on the analysis of the micro lensing event OGLE-2016-BLG-1469. Thanks to the detection of both finite-source and micro lens-parallax effects, we are able to measure both the masses M(sub 1) ~ 0.05 Solar Mass and M(sub 2) ~ 0.01 Solar Mass, and the distance D(sub L) ~ 4.5 kpc, as well as the projected separation a(sub perpendicular) ~ 0.33 au. This is the third brown-dwarf binary detected using the micro lensing method, demonstrating the usefulness of micro lensing in detecting field brown-dwarf binaries with separations of less than 1 au.

OGLE-2016-BLG-1469↗
NASA NTRS2024

Pulsar-wind-nebula-powered Galactice center X-ray filament G0.13-0.11

We report the discovery of X-ray polarization from the X-ray-bright filament G0.13−0.11 in the Galactic center (GC) region. This filament features a bright, hard X-ray source that is most plausibly a pulsar wind nebula (PWN) and an extended and structured diffuse component. Combining the polarization signal from IXPE with the imaging/spectroscopic data fromChandra, we find that X-ray emission of G0.13−0.11 is highly polarized PD=57(±18)% in the 3−6 keV band, while the polarization angle is PA=21◦(±9◦). This high degree of polarization proves the synchrotron origin of the X-ray emission from G0.13−0.11. In turn, the measured polarization angle implies that the X-ray emission is polarized approximately perpendicular to a sequence of nonthermal radio filaments that may be part of the GC Radio Arc. The magnetic field on the order of 100μGappears to be preferentially ordered along the filaments. The above field strength is the fiducial value that makes our model self-consistent, while the other conclusions are largely model independent

magnetic fields↗
NASA NTRS2000

Mapping the Solar Wind from its Source Region into the Outer Corona

The solar wind not only forms the space environment of Earth and other planets, but is also the cause of many phenomena observed in the Earth's atmosphere, such as aurorae. The expansion of the coronal plasma of the Sun is characteristic to many main sequence stars, and thus provides an example for understanding stellar winds as well. In spite of its importance for both space science and stellar physics, basic solar wind properties remain essentially unresolved. Since its discovery about 50 years ago, the complexity of the Sun corona - solar wind system has complicated the interpretation of observations. Recent progress in remote sensing observations as provided for example by YOHKOH, SOHO, SPARTAN and ULYSSES as well as some ground based techniques such as Interplanetary Scintillation observations, offer a compelling opportunity to unravel the 50 year old puzzle regarding the heat source or sources that cause the expansion of the solar corona. The new era of solar wind observations initiated by SOHO and ULYSSES, have also led to a wealth of new theoretical approaches. The goal of the proposed research was to carry out an integrated study of the coronal and solar wind plasma making use of the opportunities provided by the above spacecraft, as well as plasma emission calculations and new ideas on solar wind expansion theory.

Esser, Ruth↗
DOE OSTI2017

Spectral changes in the hyperluminous pulsar in NGC 5907 as a function of super-orbital phase

We present broadband, multi-epoch X-ray spectroscopy of the pulsating ultra-luminous X-ray source (ULX) in NGC 5907. Simultaneous XMM-Newton and NuSTAR data from 2014 are best described by a multicolor blackbody model with a temperature gradient as a function of accretion disk radius significantly flatter than expected for a standard thin accretion disk (T(r)∝r{sup −p}, with p=0.608{sub −0.012}{sup +0.014}). Additionally, we detect a hard power-law tail at energies above 10 keV, which we interpret as being due to Comptonization. We compare this observation to archival XMM-Newton, Chandra, and NuSTAR data from 2003, 2012, and 2013, and investigate possible spectral changes as a function of phase over the 78-day super-orbital period of this source. We find that observations taken around phases 0.3–0.4 show very similar temperature profiles, even though the observed flux varies significantly, while one observation taken around phase 0 has a significantly steeper profile. We discuss these findings in light of the recent discovery that the compact object is a neutron star and show that precession of the accretion disk or the neutron star can self-consistently explain most observed phenomena.

79 ASTRONOMY AND ASTROPHYSICS↗