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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 1,189 records · Page 66
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Discovery of Extended Tidal Tails around the Globular Cluster Palomar 13

We use photometry from the DECam Legacy Survey to detect candidate tidal tails extending ~5° on either side of the Palomar 13 globular cluster. The tails are aligned with the proper motion of Palomar 13 and are consistent with its old, metal-poor stellar population. We identify three RR Lyrae stars (RRLs) that are plausibly associated with the tails, in addition to four previously known in the cluster. From these RRLs, we find that the mean distance to the cluster and tails is 23.6 ± 0.2 kpc and estimate the total (initial) luminosity of the cluster to be , consistent with previous claims that its initial luminosity was higher than its current luminosity. Combined with previously determined proper motion and radial velocity measurements of the cluster, we find that Palomar 13 is on a highly eccentric orbit (e ~ 0.8) with a pericenter of ~9 kpc and an apocenter of ~69 kpc, and a recent pericentric passage of the cluster ~75 Myr ago. We note a prominent linear structure in the interstellar dust map that runs parallel to the candidate tidal features, but conclude that reddening due to dust is unlikely to account for the structure that we observe. If confirmed, the Palomar 13 stellar stream would be one of very few streams with a known progenitor system, making it uniquely powerful for studying the disruption of globular clusters, the formation of the stellar halo, and the distribution of matter within our Galaxy.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Exceptional Alignment in a Donor–Acceptor Conjugated Polymer via a Previously Unobserved Liquid Crystal Mesophase

Abstract Orienting polymer semiconductors is desirable to optimize device characteristics, provide insight into microstructure, and magnify subtle phase behavior. Here, a combination of uniaxial strain and subsequent heating of the donor–acceptor (DA) polymer PBnDT‐FTAZ is discovered to lead to exceptional optical dichroic ratios of up to 38 (and close to 50 near the polymer's absorption edge). This alignment is achieved due to the existence of a previously undetected thermotropic liquid crystal (LC) mesophase. The LC transition, not discernable through calorimetry, is uncovered through a combination of in situ UV–vis spectroscopy, X‐ray scattering, and dynamic mechanical analysis (DMA). Comparing PBnDT‐FTAZ to the non‐fluorinated PBnDT‐HTAZ and the homo polymer PBnDT, all of which show similar thermal transitions, reveals that exceptional alignment is only found in PBnDT‐FTAZ. This is attributed to the PBnDT‐FTAZ film having two distinct liquid crystal populations, and the polymer templating to a highly aligned, high‐clearing temperature population when heated. The DMA thermal relaxation behavior observed here is also seen in other DA conjugated polymers suggesting that such thermotropic LC mesophases may be common in these materials. These findings demonstrate a polymer semiconductor with remarkable alignment and uncover phase behavior with broad implications for process‐structure‐property relationships in polymer semiconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Enhancing molecular design efficiency: Uniting language models and generative networks with genetic algorithms

This study examines the effectiveness of generative models in drug discovery, material science, and polymer science, aiming to overcome constraints associated with traditional inverse design methods relying on heuristic rules. Generative models generate synthetic data resembling real data, enabling deep learning model training without extensive labeled datasets. They prove valuable in creating virtual libraries of molecules for material science and facilitating drug discovery by generating molecules with specific properties. While generative adversarial networks (GANs) are explored for these purposes, mode collapse restricts their efficacy, limiting novel structure variability. To address this, we introduce a masked language model (LM) inspired by natural language processing. Although LMs alone can have inherent limitations, we propose a hybrid architecture combining LMs and GANs to efficiently generate new molecules, demonstrating superior performance over standalone masked LMs, particularly for smaller population sizes. This hybrid LM-GAN architecture enhances efficiency in optimizing properties and generating novel samples.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Kinetic modeling of hot tail runaway electron generation during plasma disruptions using the JOREK code

The generation of runaway electrons (REs) during disruptions poses a significant challenge for the operation of tokamaks. The production of these high-energy electrons can cause substantial damage, particularly when the plasma current is high, making it a critical concern for ITER. For the high-temperature plasmas anticipated in ITER, the primary generation of REs may be dominated by the hot tail mechanism, which consists of the acceleration of hot electrons from the pre-disruption population which have not yet thermalized with the bulk following the rapid cooling of the plasma. To account for the significant 3D effects on RE production, a hot tail modeling framework has been developed within the non-linear 3D extended MHD code JOREK. This paper presents the structure of this framework, which is based on test electrons evolving in MHD fields. The verification of the method shows good agreement with the reference DREAM code for 0D test cases, as well as for axisymmetric simulations of 15 MA ITER H-mode disruption scenarios. Furthermore, a proof-of-principle application to a DIII-D case demonstrates the framework’s capability to capture for the first time the hot tail generation in 3D MHD simulations in realistic geometry. Preliminary results suggest that the production of REs is significantly reduced by stochastic losses.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1975

Metal-thin film insulator-semiconductor solar cells

The characteristics of a specific M-I-S structure are analyzed for various assumed roles of the thin-film insulating layer. It is shown that the behavior of an ideal Schottky barrier is obtained in the case where the insulating layer does not hinder transport and no localized states are present (or, if present, their population is dictated by the metal Fermi level). The cell is a majority carrier device; by using the insulating layer to control transport, it becomes a minority carrier cell.

Fonash, S. J.↗
NASA NTRS2007

Titan Orbiter Aerorover Mission with Enceladus Science (TOAMES)

Cassini and Huygens have made exciting discoveries at Titan and Enceladus, and at the same time made us aware of how little we understand about these bodies. For example, the source, and/or recycling mechanism, of methane in Titan's atmosphere is still puzzling. Indeed, river beds (mostly dry) and lakes have been spotted, and occasional clouds have been seen, but the physics to explain the observations is still mostly lacking, since our "image" of Titan is still sketchy and quite incomplete. Enceladus, only -500 km in extent, is even more puzzling, with its fiery plumes of vapor, dust and ice emanating from its south polar region, "feeding" Saturn's E ring. Long term variability of magnetospheric plasma, neutral gas, E-ring ice grain density, radio emissions, and corotation of Saturn's planetary magnetic field in response to Enceladus plume activity are of great interest for Saturn system science. Both Titan and Enceladus are bodies of considerable astrobiological interest in view of high organic abundances at Titan and potential subsurface liquid water at Enceladus. We propose to develop a new mission to Titan and Enceladus, the Titan Orbiter Aerorover Mission with Enceladus Science (TOAMES), to address these questions using novel new technologies. TOAMES is a multi-faceted mission that starts with orbit insertion around Saturn using aerobraking with Titan's extended atmosphere. We then have an orbital tour around Saturn (for 1-2 years) and close encounters with Enceladus, before it goes into orbit around Titan (via aerocapture). During the early reconnaissance phase around Titan, perhaps 6 months long, the orbiter will use altimetry, radio science and remote sensing instruments to measure Titan's global topography, subsurface structure and atmospheric winds. This information will be used to determine where and when to release the Aerorover, so that it can navigate safely around Titan and identify prime sites for surface sampling and analysis. In situ instruments will sample the upper atmosphere which may provide the seed population for the complex organic chemistry on the surface. The Aerorover will probably use a "hot air" Montgolfier balloon concept using the waste heat from the MMRTG 1-2 kwatts. New technologies will need to be developed and miniaturization will be required to maintain functionality while controlling mass, power and cost. Duty cycling will be used. The Aerorover will have all the instruments needed to sample Titan's atmosphere and surface with possible methane lakes-rivers. It will e.g., use multi-spectral imagers and for last 6 months of mission, balloon payload will land on surface at predetermined site to take core samples of the surface and use seismometers to help probe the interior. All remote (and active) sensors on the orbiter will share a - 1 meter telescope, called MIDAS (Multiple Instrument Distributed Aperture Sensor). MIDAS observations in stable orbit at Titan can provide full global maps of Titan's surface and could additionally provide long term observations of the Saturn system including Enceladus for extended mission phases over many years, potentially for decades. Experience from the Hubble Space Telescope has shown strong public interest and commitment to exciting generational missions.

Sittler, Edward C.↗
NASA NTRS2023

Irregular Proton Injection to High Energies at Interplanetary Shocks

How thermal particles are accelerated to suprathermal energies is an unsolved issue, crucial for many astrophysical systems. We report novel observations of irregular, dispersive enhancements of the suprathermal particle population upstream of a high-Mach-number interplanetary shock. We interpret the observed behavior as irregular "injections" of suprathermal particles resulting from shock front irregularities. Our findings, directly compared to self-consistent simulation results, provide important insights for the study of remote astrophysical systems where shock structuring is often neglected.

Interplanetary particle acceleration↗
DOE OSTI2024

Cross Correlating Cosmological Probes for LSST & CMB-S4

The upcoming years will be populated with state-of-the-art Stage-IV cosmological surveys. This paper forecasts the cosmological information we expect to constrain using probes from the Rubin Observatory Legacy Survey of Space and Time (LSST) and CMB-S4. We explore the effectiveness of different large-scale-structure probes, including the power spectra of galaxy weak lensing, galaxy position, Cosmic Microwave Background (CMB) lensing, and their cross-correlations. We use correlated lognormal simulations with the expected redshift distributions, galaxy number densities, and noise levels of the LSST survey. For CMB weak lensing, we use CMB-S4 lensing simulations with anticipated noise levels to obtain the expected error bars of each probe. We investigate the constraining power of the cosmological parameters for the individual probes and their combinations in an idealized scenario. We do not take into account astrophysical and observational parameters such as galaxy bias variations and photometric redshift un- certainties. Overall, we find the auto-correlated probes hold stronger constraints on cosmological parameters than the cross-correlated probes due to kernel differences. However, the cross-correlation of galaxy clustering and CMB lensing is very comparable to the auto-correlation of galaxy clustering with only an 8% stronger constraint in S8. It will be important for future surveys to use these auto and cross probes in combination due to the different astrophysical and systematic effects involved in CMB and late-time galaxy data. When systematics are added to this analysis, the cross probes will serve as a check for systematic biases in individual probes. In addition, we find a significant increase in constraint using all four probes in combination. This can be illustrated by the increase in constraint of S8 by 93.2% comparing galaxy clustering auto-correlation to a combination of all probes. Our study is a first step toward forecasting the high-precision cosmological constraints we expect to obtain using the next generation of large-scale structure probes.

Gibbins, Grace↗
NASA NTRS1999

Localized Ionospheric Particle Acceleration and Wave Acceleration of Auroral Ions: Amicist Data Set

Research supported by this grant covered two main topics: auroral ion acceleration from ELF-band wave activity, and from VLF-spikelet (lower hybrid solitary structure) wave activity. Recent auroral sounding rocket data illustrate the relative significance of various mechanisms for initiating auroral ion outflow. Two nightside mechanisms are shown in detail. The first mechanism is ion acceleration within lower hybrid solitary wave events. The new data from this two payload mission show clearly that: (1) these individual events are spatially localized to scales approximately 100 m wide perpendicular to B, in agreement with previous investigations of these structures, and (2) that the probability of occurrence of the events is greatest at times of maximum VLF wave intensity. The second mechanism is ion acceleration by broadband, low frequency electrostatic waves, observed in a 30 km wide region at the poleward edge of the arc. The ion fluxes from the two mechanisms are compared and it is shown that while lower hybrid solitary structures do indeed accelerate ions in regions of intense VLF waves, the outflow from the electrostatic ion wave acceleration region is dominant for the aurora investigated by this sounding rocket, AMICIST. The fluxes are shown to be consistent with DE-1 and Freja outflow measurements, indicating that the AMICIST observations show the low altitude, microphysical signatures of nightside auroral outflow. In this paper, we present a review of sounding rocket observations of the ion acceleration seen nightside auroral zone lower hybrid solitary structures. Observations from Topaz3, Amicist, and Phaze2 are presented on various spatial scales, including the two-point measurements of the Amicist mission. From this collection of observations, we will demonstrate the following characteristics of transverse ion acceleration (TAI) in LHSS. The ion acceleration process is narrowly confined to 90 degrees pitch angle, in spatially confined regions of up to a few hundred meters across B. The acceleration process does not affect the thermal core of the ambient distribution, and does not directly create a measurable effect on the ambient ion population outside the LHSS themselves. Within the LHSS region, it creates a high energy tail beginning at a few times the thermal ion speed. The ion acceleration events are closely associated with localized wave events. Accelerated ions bursts are also seen without a concurrent observation of a localized wave event, for two possible reasons. In some cases, the pitch angles of the accelerated tail ions are elevated above perpendicular; that is to say, the acceleration occurred below the observer and the mirror force has begun to act upon the distribution, moving it upward from the source. In other cases, the accelerated ion structure is spatially larger than the wave event structure, and the observation catches only the ion event. The occurrence rate of these ion acceleration events is related to the ambient environment in two ways: (1) its altitude dependence can be modelled with the parameter B(exp2)/n(sub e), (2) and it is highest in regions of intense VLF activity. The end result of this study of auroral ion acceleration processes is a manuscript entitled "Auroral Ion Acceleration from Lower Hybrid Solitary Structures: A Summary of Sounding Rocket Observations", by Lynch, Arnoldy, Kintner, Schuck, Bonnell, and Coffey. This manuscript has been submitted for publication to the Journal of Geophysical Research.

Lynch, Kristina A.↗
NASA NTRS1993

A Darwinian approach to control-structure design

Genetic algorithms (GA's), as introduced by Holland (1975), are one form of directed random search. The form of direction is based on Darwin's 'survival of the fittest' theories. GA's are radically different from the more traditional design optimization techniques. GA's work with a coding of the design variables, as opposed to working with the design variables directly. The search is conducted from a population of designs (i.e., from a large number of points in the design space), unlike the traditional algorithms which search from a single design point. The GA requires only objective function information, as opposed to gradient or other auxiliary information. Finally, the GA is based on probabilistic transition rules, as opposed to deterministic rules. These features allow the GA to attack problems with local-global minima, discontinuous design spaces and mixed variable problems, all in a single, consistent framework.

Zimmerman, David C.↗
NASA NTRS2018

Observations of Mercury's Exosphere: Composition and Structure: Chapter - 14

Mercury is surrounded by a tenuous exosphere in which particles travel on ballistic trajectories under the influence of a combination of gravity and solar radiation pressure. The densities are so small that the surface forms the exobase and particles in the exosphere are more likely to collide with it rather than with each other. For a planet with a more substantial collision­-dominated atmosphere, a population of particles that enters from below the exobase supplies the exosphere. In contrast Mercury's exosphere is supplied both by incoming sources including the solar wind (hydrogen and helium), micrometeoroids (dust), meteoroids and cornets, and by particles released from the surface through a variety of processes that include sputtering by solar wind ions, desorption by solar photons and electrons, impacts by micrometeoroids, and thermal desorption of surface materials. These source processes are balanced by loss processes, which include impact with and sticking to the surface, Jeans (or thermal) escape, ionization followed by trans­port along magnetic field lines, and acceleration by solar radia­tion pressure to escape velocity. Ground-based attempts to detect an atmosphere around Mercury before Mariner 10 first visited the planet in 1974 were unsuccessful and led only to increasingly tight upper limits, culminating in a limiting value for surface atmospheric pressure of 0.015 Pascal (Pa) determined by Fink et al. (1974).

Solar↗
DOE OSTI2023

Host genetics and gut microbiota composition: Baseline gut microbiota composition as a possible prognostic factor for the severity of COVID-19 in patients with familial Mediterranean fever disease

It is known that the gut microbiome of a healthy person affects the process of COVID-19 after getting infected with SARS-CoV-2 virus. It is also believed that colchicine can alleviate the severity of COVID-19. Current investigations aimed to evaluate the associations between the baseline gut microbiota composition of healthy and Familial Mediterranean fever (FMF) - carrier Armenian men populations, and the severity of the COVID-19 disease after their infection with the SARS-CoV-2. The study has a purpose of answering three core questions: i. Do the characteristics of gut microbiome of Armenians affect the course of COVID-19 severity? ii. How does the COVID-19 disease course on go for FMF patients who have been taking colchicine as a medication over the years after getting infected with SARS-CoV-2? iii. Is there an initial gut micribiota structure pattern for non-FMF and FMF patients in the cases when COVID-19 appears in mild form? The gut microbiota composition in non-FMF and FMF patients before the first infection (mild and moderate course of COVID-19) was considered. COVID-19 was diagnosed by SARS-CoV-2 nucleic acid RT-PCR in nasopharyngeal swab and/or sputum. The number of patients with male FMF with mild COVID-19 was approximately two times higher than that of non-FMF male subjects with COVID-19. In addition, an association of COVID-19 disease severity with the baseline gut Prevotella, Clostridium hiranonis, Eubacterium biforme, Veillonellaceae, Coprococcus, and Blautia diversities in the non-FMF and FMF populations were revealed by us, which can be used as risk/prognostic factor for the severity of COVID-19.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Calcium Cosalt Addition to Alter the Cation Solvation Structure and Enhance the Ca Metal Anode Performance

Accessing the energy density and sustainability of calcium metal batteries requires mastering reversible calcium electrodeposition through electrolyte design. Several electrolytes support reversible, ambient temperature deposition but at utilization and rate too low for practical applications. These challenges stem from solvation structures characterized by either high barriers for cation desolvation or thermodynamic instability, leading to parasitic decomposition of the salt and solvent. The optimal solvation structure for the effective delivery of calcium to the electrode interface is not known. In this work, we show that adding a relatively small amount of a weakly associating calcium salt (calcium carba-closo-dodecaborate) to an otherwise strongly associated solution (calcium borohydride in tetrahydrofuran) produces a surprising population of fully solvent-coordinated Ca2+ cations in the form of solvent-separated ion pairs (SSIPs). We further demonstrate that the formation of these SSIPs beneficially impacts the kinetics and thermodynamics of calcium electrodeposition, revealing the unexpected finding that direct coordination of Ca2+ by the BH4– anion limits the electrodeposition process. These findings reveal how the competition between solvent and anion coordination to Ca2+ affects calcium deposition kinetics and cycling stability, setting the stage for a new calcium electrolyte design based on mixed anion electrolytes.

Landers, Alan T.↗
DOE OSTI2026

Multi‐Species Energy‐Banded Ions in the Ionosphere During the 21 January 2005 Magnetic Storm: Low‐Altitude Edge of the Warm Plasma Cloak

During the 21–22 January 2005 magnetic storm, the FAST satellite observed warm (< few keV) ions in discrete energy bands on the dayside at ∼3,000 km altitude for more than 6.5 hr. We suggest that the ionospheric energy-banded ions represent the low-altitude edge of the warm plasma cloak observed simultaneously by magnetospheric satellites. This is a clear example of the multi-species ion energy bands (10 eV to several keV) observed during strong magnetic storms by the FAST satellite, stretching from the diffuse auroral region to the plasmapause with lifetimes up to 12 hr. The close association of these energy-banded ions with magnetic storms, their broad latitudinal extent, and the presence of multiple ion species in the same energy band, rather than at the same velocity, indicate that this is a distinct phenomenon from other types of energy-banded ions. During the 21–22 January 2005 magnetic storm, the dayside ion energy band structures, centered at 10 eV (H + ), 40 eV (H + and He + ), and 160 eV (H + , He + , and O + ), were consistent with a “time-of-flight and velocity filter” formation process acting on a near-cusp, impulsive outflow of a <200 eV multi-species ion-source population, poleward and in the same hemisphere as FAST. Understanding the sources and dynamics of warm energy-banded ions and their linkage to the warm plasma cloak is important because during superstorms these ions are transported to L values as low as L ∼ 1.2 in the dawn sector, significantly altering the energetics of the mid-latitude ionosphere.

58 GEOSCIENCES↗
DOE OSTI2021

X-ray transient absorption reveals the 1Au (nπ*) state of pyrazine in electronic relaxation

Abstract Electronic relaxation in organic chromophores often proceeds via states not directly accessible by photoexcitation. We report on the photoinduced dynamics of pyrazine that involves such states, excited by a 267 nm laser and probed with X-ray transient absorption spectroscopy in a table-top setup. In addition to the previously characterized 1 B 2u (ππ*) (S 2 ) and 1 B 3u (nπ*) (S 1 ) states, the participation of the optically dark 1 A u (nπ*) state is assigned by a combination of experimental X-ray core-to-valence spectroscopy, electronic structure calculations, nonadiabatic dynamics simulations, and X-ray spectral computations. Despite 1 A u (nπ*) and 1 B 3u (nπ*) states having similar energies at relaxed geometry, their X-ray absorption spectra differ largely in transition energy and oscillator strength. The 1 A u (nπ*) state is populated in 200 ± 50 femtoseconds after electronic excitation and plays a key role in the relaxation of pyrazine to the ground state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Properties of V-defect injectors in long wavelength GaN LEDs studied by near-field electro- and photoluminescence

The efficiency of multiple quantum well (QW) light emitting diodes (LEDs) to a large degree depends on uniformity of hole distribution between the QWs. Typically, transport between the QWs takes place via carrier capture into and thermionic emission out of the QWs. In InGaN/GaN QWs, the thermionic hole transport is hindered by the high quantum confinement and polarization barriers. To overcome this drawback, hole injection through semipolar QWs located at sidewalls of V-defects had been proposed. However, in the case of the V-defect injection, strong lateral emission variations take place. In this work, we explore the nature of these variations and the impact of the V-defects on the emission spectra and carrier dynamics. The study was performed by mapping electroluminescence (EL) and photoluminescence (PL) with a scanning near-field optical microscope in LEDs that contain a deeper well that can only be populated by holes through the V-defects. Applying different excitation schemes (electrical injection and optical excitation in the far- and near-field), we have shown that the EL intensity variations are caused by the lateral nonuniformity of the hole injection. We have also found that, in biased structures, the PL intensity and decay time in the V-defect regions are only moderately lower that in the V-defect-free regions thus showing no evidence of an efficient Shockley-–Read–Hall recombination. In the V-defect regions, the emission spectra experience a red shift and increased broadening, which suggests an increase of the In content and well width in the polar QWs close to the V-defects.

Electroluminescence↗
DOE OSTI2020

Onset of high-spin rotational bands in the $N = Z$ nucleus 62 Ga

The fusion-evaporation reaction 28 Si + 40 Ca at 122 MeV beam energy was used to populate high-spin states in the odd-odd $N = Z$ nucleus 62 Ga. With the combination of the Gammasphere spectrometer and the Microball CsI(Tl) charged-particle detector array the decay scheme of 62 Ga was extended beyond 10 MeV excitation energy. The onset of band structures was observed. These high-spin rotational states are interpreted and classified by means of cranked Nilsson-Strutinsky calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Structure-based decoupling of the pro- and anti-inflammatory functions of interleukin-10

Interleukin-10 (IL-10) is an immunoregulatory cytokine with both anti-inflammatory and immunostimulatory properties and is frequently dysregulated in disease. We used a structure-based approach to deconvolute IL-10 pleiotropy by determining the structure of the IL-10 receptor (IL-10R) complex by cryo–electron microscopy at a resolution of 3.5 angstroms. The hexameric structure shows how IL-10 and IL-10Rα form a composite surface to engage the shared signaling receptor IL-10Rβ, enabling the design of partial agonists. IL-10 variants with a range of IL-10Rβ binding strengths uncovered substantial differences in response thresholds across immune cell populations, providing a means of manipulating IL-10 cell type selectivity. Some variants displayed myeloid-biased activity by suppressing macrophage activation without stimulating inflammatory CD8 + T cells, thereby uncoupling the major opposing functions of IL-10. These results provide a mechanistic blueprint for tuning the pleiotropic actions of IL-10.

60 APPLIED LIFE SCIENCES↗