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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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NASA NTRS1986

Infrared observations of the Uranian system

Initial results are presented from analyses of IR interferometer spectrometer data collected by Voyager 2 during passes of Uranus and the moons Miranda and Ariel. The data covered reflected solar radiation in the visible and near-IR and thermal emissions between 25 and 50 microns. An equatorial atmospheric He mole fraction of 0.10-0.20 and a mass fraction of 0.16-0.34 was observed for Uranus. Para-hydrogen was also a significant fraction Uranus CH4 atmosphere. Average polar and equatorial spectra were employed to generate vertical temperature profiles between 60-900 mbar, with the finding that the temperatures at the equator and the poles are markedly similar between 400-900 mbar. The effective temperature of Uranus had a calculated upper limit of about 59.4 K, while the subsolar temperatures of Miranda and Arial were around 86 and 84 K, respectively. The albedos of the two satellites indicated surface microstructures composed of isotopically scattering grains.

Hanel, R.↗
DOE OSTI2021

I Spy Transits and Pulsations: Empirical Variability in White Dwarfs Using Gaia and the Zwicky Transient Facility

We present a novel method to detect variable astrophysical objects and transient phenomena using anomalous excess scatter in repeated measurements from public catalogs of Gaia DR2 and Zwicky Transient Facility (ZTF) DR3 photometry. We first provide a generalized, all-sky proxy for variability using only Gaia DR2 photometry, calibrated to white dwarf stars. To ensure more robust candidate detection, we further employ a method combining Gaia with ZTF photometry and alerts. To demonstrate its efficacy, we apply this latter technique to a sample of roughly 12,100 white dwarfs within 200 pc centered on the ZZ Ceti instability strip, where hydrogen-atmosphere white dwarfs are known to pulsate. Here, by inspecting the top 1% of the samples ranked by these methods, we demonstrate that both the Gaia-only and ZTF-informed techniques are highly effective at identifying known and new variable white dwarfs, which we verify using follow-up, high-speed photometry. We confirm variability in all 33 out of 33 (100%) observed white dwarfs within our top 1% highest-ranked candidates, both inside and outside the ZZ Ceti instability strip. In addition to dozens of new pulsating white dwarfs, we also identify five white dwarfs highly likely to show transiting planetary debris; if confirmed, these systems would more than triple the number of white dwarfs known to host transiting debris.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Inferring the Energy and Distance Distributions of Fast Radio Bursts Using the First CHIME/FRB Catalog

Abstract Fast radio bursts (FRBs) are brief, energetic, typically extragalactic flashes of radio emission whose progenitors are largely unknown. Although studying the FRB population is essential for understanding how these astrophysical phenomena occur, such studies have been difficult to conduct without large numbers of FRBs and characterizable observational biases. Using the recently released catalog of 536 FRBs published by the Canadian Hydrogen Intensity Mapping Experiment/Fast Radio Burst (CHIME/FRB) collaboration, we present a study of the FRB population that also calibrates for selection effects. Assuming a Schechter function, we infer a characteristic energy cut-off of E char = 2.38 − 1.64 + 5.35 × 10 41 erg and a differential power-law index of γ = − 1.3 − 0.4 + 0.7 . Simultaneously, we infer a volumetric rate of [ 7.3 − 3.8 + 8.8 (stat.) − 1.8 + 2.0 ( sys . ) ] × 10 4 Gpc −3 yr −1 above a pivot energy of 10 39 erg and below a scattering timescale of 10 ms at 600 MHz, and find we cannot significantly constrain the cosmic evolution of the FRB population with star-formation rate. Modeling the host’s dispersion measure (DM) contribution as a log-normal distribution and assuming a total Galactic contribution of 80 pc cm −3 , we find a median value of DM host = 84 − 49 + 69 pc cm −3 , comparable with values typically used in the literature. Proposed models for FRB progenitors should be consistent with the energetics and abundances of the full FRB population predicted by our results. Finally, we infer the redshift distribution of FRBs detected with CHIME, which will be tested with the localizations and redshifts enabled by the upcoming CHIME/FRB Outriggers project.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2008

Supersonic Combusting Jet Experiments for Code Development and Validation

Computational fluid dynamics (CFD) methods based on the Reynolds averaged Navier-Stokes (RANS) equations are extensively employed in the design of hypersonic airbreathing engines. A fundamental weakness in these methods is the accurate mathematical modeling of turbulence and turbulence-combustion interactions. This paper is one of a companion pair of papers which describe the use of the combined dual pump CARS and newly developed interferometric Rayleigh scattering optical system to acquire time-accurate turbulence and mixing data with which to aid calibration and verification of the current turbulence models. This test program consisted of a pilot laboratory-scale experiment used to develop the optical system and data acquisition techniques, and a significantly larger experiment to acquire the necessary turbulence data. The flow is an axially-symmetric, supersonic, combusting, free jet that provides good optical access, consisting of a central jet of hot "vitiated air" and a coflow jet of hydrogen or ethylene fuel. In this paper the development of both experiments is described. Facility and flow visualization data are presented for various types of flames, including the flames selected for detailed study with the CARS/Rayleigh optical techniques.

Cutler, Andrew D.↗
DOE OSTI2020

Operando identification of site-dependent water oxidation activity on ruthenium dioxide single-crystal surfaces

Understanding the nature of active sites is central to controlling (electro)catalytic activity. Here we employed surface X-ray scattering coupled with density functional theory and surface-enhanced infrared absorption spectroscopy to examine the oxygen evolution reaction on RuO 2 surfaces as a function of voltage. At 1.5 V RHE , our results suggest that there is an –OO group on the coordinatively unsaturated ruthenium (Ru CUS ) site of the (100) surface (and similarly for (110)), but adsorbed oxygen on the Ru CUS site of (101). Density functional theory results indicate that the removal of –OO from the Ru CUS site, which is stabilized by a hydrogen bond to a neighbouring –OH (–OO–H), could be the rate-determining step for (100) (similarly for (110)), where its reduced binding on (100) increased activity. A further reduction in binding energy on the Ru CUS site of (101) resulted in a different rate-determining step (–O + H 2 O – (H + + e - ) → –OO–H) and decreased activity. Our study provides molecular details on the active sites, and the influence of their local coordination environment on activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

(U)SAXS characterization of porous microstructure of chert: insights into organic matter preservation

This study characterizes the microstructure and mineralogy of 132 (ODP sample), 1000 and 1880 million-year-old chert samples. By using ultra-small-angle X-ray scattering (USAXS), wide-angle X-ray scattering and other techniques, the preservation of organic matter (OM) in these samples is studied. The scarce microstructural data reported on chert contrast with many studies addressing porosity evolution in other sedimentary rocks. The aim of this work is to solve the distribution of OM and silica in chert by characterizing samples before and after combustion to pinpoint the OM distribution inside the porous silica matrix. The samples are predominantly composed of alpha quartz and show increasing crystallite sizes up to 33 ± 5 nm (1σ standard deviation or SD). In older samples, low water abundances (~0.03%) suggest progressive dehydration. (U)SAXS data reveal a porous matrix that evolves over geological time, including, from younger to older samples, (1) a decreasing pore volume down to 1%, (2) greater pore sizes hosting OM, (3) decreasing specific surface area values from younger (9.3 ± 0.1 m 2 g -1 ) to older samples (0.63 ± 0.07 m 2 g -1 , 1σ SD) and (4) a lower background intensity correlated to decreasing hydrogen abundances. The pore-volume distributions (PVDs) show that pores ranging from 4 to 100 nm accumulate the greater volume fraction of OM. Raman data show aromatic organic clusters up to 20 nm in older samples. Raman and PVD data suggest that OM is located mostly in mesopores. Observed structural changes, silica–OM interactions and the hydro­phobicity of the OM could explain the OM preservation in chert.

(U)SAXS↗
DOE OSTI2024

The impact of environment on size: Galaxies are 50% smaller in the Fornax Cluster compared to the field

Size is a fundamental parameter for measuring the growth of galaxies and the role of the environment on their evolution. However, the conventional size definitions used for this purpose are often biased and miss the diffuse, outermost signatures of galaxy growth, including star formation and gas accretion. We address this issue by examining low surface brightness truncations or galaxy ‘edges’ as a physically motivated tracer of size based on star formation thresholds. Our total sample consists of ∼900 galaxies with stellar masses ranging from 10 5 M ⊙ < M ⋆ < 10 11 M ⊙ . This sample of nearby cluster, group satellite, and nearly isolated field galaxies was compiled using multi-band imaging from the Fornax Deep Survey, deep IAC Stripe 82, and Dark Energy Camera Legacy Surveys. We find that the edge radii scale as R edge ∝ M ⋆ 0.42 , with a very small intrinsic scatter (∼0.07 dex). The scatter is driven by the morphology and environment of galaxies. In both the cluster and field, early-type dwarfs are systematically smaller by approximately 20% compared to late-type dwarfs. However, galaxies in the Fornax cluster are the most impacted. At a fixed stellar mass, edges in the cluster can be found at about 50% smaller radii, and the average stellar surface density at the edges is a factor of two higher, ∼1 M ⊙ /pc 2 . Our findings support the rapid removal of loosely bound neutral hydrogen (H I ) in hot, crowded environments, which truncates galaxies outside-in earlier, preventing the formation of more extended sizes and lower density edges. Our results highlight the importance of deep imaging surveys to the study of low surface brightness imprints of the large-scale structure and environment on galaxy evolution.

Astronomy & Astrophysics↗
DOE OSTI2024

Self-diffusion of liquid deuterium hydride and liquid tritium

Here, we present a quasi-elastic neutron scattering study of liquid deuterium hydride carried out using the Disk Chopper Spectrometer at the National Institute of Standards and Technology. Under saturated vapor pressure, the self-diffusion constant of deuterium hydride obeys an Arrhenius law D = D 0 exp(-E A /k B T), where the prefactor D 0 is given by D 0 = 9.5 ± 1.2 Å 2 /ps and the activation energy is given by E A = 58 ± 2 K. We apply the quantum law of corresponding states to the known diffusion constants of the hydrogen isotopologues. From this application, we estimate that D 0 ≈ 9.1 Å 2 /ps and E A ≈ 75 K in liquid tritium. Young’s theory of quantum-mechanical effects in van der Waals fluids is shown to apply to the diffusion constants of the liquid hydrogens. Our results underscore the importance of nuclear quantum effects in shaping the properties and behavior of the hydrogen isotopologues.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1993

Moessbauer spectrometer for mineralogical analysis of the Mars surface: Moessbauer source considerations

Development of space rocketry and cosmic instrument making has made it possible to create interplanetary stations to be sent to the solar system bodies. In the last decade of the century the planet Mars will be in the focus of planetary science problems. Russia, USA (the NASA) and Europe (the ESA) plan to do a new step in the study of the planetary system by spacecraft missions to Mars. One part of the programs of these missions is Martian surface measurements of iron, which is a dominant element in both the Martian soil and rocks (about 13 percent by weight). The chemistry of iron in space is strongly coupled to the chemistry of abundant elements (to begin with hydrogen, carbon, oxygen) and it is this coupling of chemical cycles of abundant elements that gives us the possibility of understanding some features of the chemical evolution of matter. In this connection of extremely great importance for the understanding of the evolution of the solar system are the oxidation state of the iron and its mineral composition of the Mars surface. Being highly successful, the Viking landers had no instrumentation to answer these questions. Such instrumentation has to be specifically sensitive to mineralogy. For this purpose the back scattering Moessbauer spectrometer (MS-96) was proposed to be installed on a rover to be launched on board the Russian spacecraft Mars-96 mission to Mars. Due to power and mass restrictions three systems of the device MS-96 (velocity transducer, detector and electronic components) have been extremely miniaturized in comparison to a standard system. In this paper we intend to place for consideration a radioactive source to find out what characteristics it should have to be suitable for purposes of the experiment.

Evlanov, E. N.↗
NASA NTRS1995

Very low mass stars and white dwarfs in NGC 6397

Deep Wide Field/Planetary Camera 2 (WFPC2) images in wide bands centered at 606 and 802 nm were taken with the Hubble Space Telescope (HST) 4.6 min from the center of the galactic globular cluster NGC 6397. The images were used to accurately position approximately 2120 stars detected in the field on a color magnitude diagram down to a limiting magnitude m(sub 814) approximately = m(sub I) approximately = 26 determined reliably and solely by counting statistics. A white dwarf sequence and a rich, narrow cluster main sequence are detected for the first time, the latter stretching from m(sub 814) = 18.5 to m(sub 814) = 24.0 where it becomes indistinguishable from the field population. Two changes of slope of the main sequence at m(sub 814) approximately = 20 and m(sub 814) approximately = 22.5 are evident. The corresponding luminosity function increases slowly from M(sub 814) approximately = 6.5 to 8.5 are expected from ground-based observations but then drops sharply from there dwon to the measurement limit. The corresponding mass function obtained bu using the only presently available mass-luminosity function for the cluster's metallicity rises to a plateau between approximately 0.25 and approximately 0.15 solar mass, but drops toward the expected mass limit of the normal hydrogen burning main sequence at approximately 0.1 solar mass. This result is in clear contrast to that obtained from the ground and implies either a substantial modification of the cluster's initial mass function due to dynamical evolution in its lifetime, or that very low mass stars are not produced in any dynamically significant amount by clusters of this type. The white dwarf sequence is in reasonable agreement with a cooling sequence of models of mass 0.5 solar mass at the canonical distance of NGC 6397 with a scatter that is most likely due to photometric errors, but may also reflect real differences in mass or chemical composition. Contamination from unresolved galaxies, which cannot be reliably identified with our filters, makes it difficult to meaningfully compare the observed white dwarf luminosity function with its theoretical counterpart.

Paresce, Francesco↗
DOE OSTI2023

Poly(diallylmethylammonium) proton conducting membranes with high ionic conductivity at intermediate temperatures

High temperature proton exchange membrane fuel cells are being lately investigated because of their high energy efficiency, their superior heat/water management, CO tolerance, and electrode reaction kinetics. To further advance this technology, the polymer membrane portfolio and performance should be improved for intermediate or high temperature operation (>100 °C). In this work we present new poly(diallylmethylammonium) proton conducting membranes with high ionic conductivity at 120 °C. First, new protic ionic liquids, hereafter called DAMAH + X - , were synthesized leading to diallylmethylammonium monomers with different counter-anions. By radical cyclopolymerization through thermal and photoinitiation mechanisms, self-standing protic polymeric membranes of poly(diallylmethylammonium X - ) were obtained. Membranes showed good thermal stability (>250 °C) and mechanical properties without the need of additives such as (protic) ionic liquids, solvents or inorganic charges. Great attention was paid to understand the effect of the different counter-anions on the membrane properties. As a general trend, fluorinated anions coming from strong acids confer high ionic conductivity and allow to reduce the hygroscopic properties on the protic polymeric membranes. Proton structural and dynamical stability at different temperatures and humidification conditions were investigated by Neutron Scattering (QENS and NR). The optimized poly(diallylmethylammonium X - ) shows similar ionic conductivity values than Nafion 212 under varying relative humidity conditions at 80 °C. Furthermore, it shows a high ionic conductivity value of 1.9 × 10 -3 Scm -1 at 120 °C under dry conditions.

08 HYDROGEN↗
DOE OSTI2023

Influence of Charge Block Length on Conformation and Solution Behavior of Polyampholytes

In this paper, we investigate the effect of charge block length on polyampholyte chain conformation and phase behavior using small-angle X-ray scattering (SAXS) and implicit-solvent molecular simulations. To this end, we use solid phase peptide synthesis to precision-tailor a series of polyampholytes consisting of l-glutamic acid (E) and l-lysine (K) monomers arranged in alternating blocks from 2 to 16 monomers. We observe that the polyampholytes tend to phase separate as block size increases. With addition of NaCl, phase separated polyampholytes exhibit a salting-in effect dependent on charge block length. Fourier-transform infrared (FTIR) spectroscopy reveals the presence of intramolecular hydrogen bonds that are disrupted upon the addition of NaCl, implicating both electrostatic interactions and hydrogen bonding in the phase behavior. SAXS spectra at no-added salt conditions show minimal dependence of charge block length on the radius of gyration (R g ) for soluble polyampholytes, but local chain stiffening is found to be dependent on charge block length. With increasing NaCl, consistent with electrostatic screening, all polyampholytes expand and behave as neutral or swollen chains in good solvent conditions. Molecular simulations are qualitatively consistent with experiments. Implications for understanding intracellular condensates and material design are noted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Multichannel dynamics in the OH+ n -butane reaction revealed by crossed-beam slice imaging and quasiclassical trajectory calculations

Multidimensional reactions present various channels that can exhibit very different dynamics and give products of varying subsequent reactivity. Here, we present a combination of experiment and theory to reveal the dynamics of hydrogen abstraction by OH radical at primary and secondary sites in n-butane at a collision energy of 8 kcal/mol. Crossed molecular beam slice imaging experiments unequivocally probe the secondary abstraction channel showing backward angular distributions with mild energy release to product translation, which are accurately captured by trajectory calculations using a specific-reaction-parameter Hamiltonian. Additionally, experiments containing both reaction channels indicate a less marked backward character in the angular distribution, whose origin is shown by trajectory calculations to appear as an evolution toward more sideways scattering from the secondary to primary channel. While the two channels have markedly different angular distributions, their energy release is largely comparable, showing ample energy release into the water product. The synergistic combination of crossed-beam imaging and trajectories opens the door to detailed reaction-dynamics studies of chemical reactions with ever-increasing complexity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1999

A Comparison of Ultraviolet, Optical, and X-Ray Imagery of Selected Fields in the Cygnus Loop

During the Astro-1 and Astro-2 Space Shuttle missions in 1090 and 199.5, far ultraviolet (FUV) images of five 40' diameter fields around the rim of the Cygnus Loop supernova remnant were observed with the Ultraviolet Imaging Telescope (UIT). These fields sampled a broad range of conditions including both radiative and nonradiative shocks in various geometries and physical scales. In these shocks, the UIT B5 band samples predominantly C IV Lambda-1550 and the hydrogen two-photon recombination continuum. Smaller contributions are made by emission lines of He II Lambda-1640 and O III] Lambda-1665. We present these new FUV images and compare them with optical H-alpha and [O III], and ROSAT HRI X-ray images. Comparing the UIT images with those from the other bands provides new insights into the spatial variations and locations of these different types of emission. By comparing against shock model calculations and published FUV spectroscopy at select locations, we surmise that resonance scattering in the strong FUV permitted lines is widespread in the Cygnus Loop. especially in the bright optical filaments typically selected for observation in most previous studies.

Danforth, Charles W.↗
DOE OSTI2022

Broad Applicability of Electrochemical Impedance Spectroscopy to the Measurement of Oxygen Nonstoichiometry in Mixed Ion and Electron Conductors

Oxygen non-stoichiometry is a fundamental feature of mixed ion and electron conductors (MIECs). In this work a general electrochemical method for determining non-stoichiometry in thin film MIECs, via measurement of the chemical capacitance, is demonstrated using ceria and ceria-zirconia (Ce 0.8 Zr 0.2 O 2-δ ) as representative materials. A.C. impedance data are collected from both materials at high temperature (750-900 °C) under reducing conditions with oxygen partial pressure (pO 2 ) in the range 10-13 to 10-20 atm. Additional measurements of ceria-zirconia films are made under relatively oxidizing conditions with pO 2 in the range 0.2 to 10 -4 atm and temperatures of 800-900 °C. Under reducing conditions, the impedance spectra are described by a simple circuit in which a resistor is in series with a resistor and capacitor in parallel, and thickness dependent measurements are used to resolve the capacitance into interfacial and chemical terms. Under more oxidizing conditions, the impedance spectra (of Ce 0.8 Zr 0.2 O 2-δ ) reveal an additional diffusional feature, which enables determination of the ionic resistance of the film in addition to the capacitance, and hence the transport properties. A generalized mathematical formalism is presented for recovering the non-stoichiometry from the chemical capacitance, without recourse to defect chemical models. The ceria non-stoichiometry values are in good agreement with literature values determined by thermogravimetric measurements but display considerably less scatter and are collected on considerably shorter timescales. Here, the thermodynamic analysis of Ce 0.8 Zr 0.2 O 2-δ corroborates earlier findings that introduction of Zr into ceria enhances its reducibility.

08 HYDROGEN↗
DOE OSTI2020

Liquid Structure and Transport Properties of the Deep Eutectic Solvent Ethaline

A range of techniques including physical property measurements, neutron scattering experiments, ab initio molecular dynamics, and classical molecular dynamics simulations are used to probe the structural, thermodynamic, and transport properties of a deep eutectic solvent comprised of a 1:2 molar ratio of choline chloride and ethylene glycol. This mixture, known as Ethaline, has many desirable properties for use in a range of applications, and therefore, understanding its liquid structure and transport properties is of interest. Simulation results are able to capture experimental densities, diffusivities, viscosities, and structure factors extremely well. Here, the solvation environment is dynamic and dominated by different hydrogen bonding interactions. Dynamic heterogeneities resulting from hydrogen bonding interactions are quantified. Rotational dynamics of molecular dipole moments of choline and ethylene glycol are computed and found to exhibit a fast and slow mode.

25 ENERGY STORAGE↗
NASA NTRS2008

Time-Resolved Rayleigh Scattering Measurements in Hot Gas Flows

A molecular Rayleigh scattering technique is developed to measure time-resolved gas velocity, temperature, and density in unseeded gas flows at sampling rates up to 32 kHz. A high power continuous-wave laser beam is focused at a point in an air flow field and Rayleigh scattered light is collected and fiber-optically transmitted to the spectral analysis and detection equipment. The spectrum of the light, which contains information about the temperature and velocity of the flow, is analyzed using a Fabry-Perot interferometer. Photomultipler tubes operated in the photon counting mode allow high frequency sampling of the circular interference pattern to provide time-resolved flow property measurements. Mean and rms velocity and temperature fluctuation measurements in both an electrically-heated jet facility with a 10-mm diameter nozzle and also in a hydrogen-combustor heated jet facility with a 50.8-mm diameter nozzle at NASA Glenn Research Center are presented.

Mielke, Amy F.↗
DOE OSTI2022

Tracking structural solvent reorganization and recombination dynamics following e – photoabstraction from aqueous I – with femtosecond x-ray spectroscopy and scattering

Here we present a sub-picosecond resolved investigation of the structural solvent reorganization and geminate recombination dynamics following 400 nm two-photon excitation and photodetachment of a valence p electron from the aqueous atomic solute, I–(aq). The measurements utilized time-resolved X-ray Absorption Near Edge Structure (TR-XANES) spectroscopy and X-ray Solution Scattering (TR-XSS) at the Linac Coherent Light Source x-ray free electron laser in a laser pump/x-ray probe experiment. The XANES measurements around the L 1 -edge of the generated nascent iodine atoms (I 0 ) yield an average electron ejection distance from the iodine parent of 7.4 ± 1.5 Å with an excitation yield of about 1/3 of the 0.1M NaI aqueous solution. The kinetic traces of the XANES measurement are in agreement with a purely diffusion-driven geminate iodine–electron recombination model without the need for a long-lived (I 0 :e–) contact pair. Nonequilibrium classical molecular dynamics simulations indicate a delayed response of the caging H 2 O solvent shell and this is supported by the structural analysis of the XSS data: We identify a two-step process exhibiting a 0.1 ps delayed solvent shell reorganization time within the tight H-bond network and a 0.3 ps time constant for the mean iodine–oxygen distance changes. The results indicate that most of the reorganization can be explained classically by a transition from a hydrophilic cavity with a well-ordered first solvation shell (hydrogens pointing toward I–) to an expanded cavity around I 0 with a more random orientation of the H 2 O molecules in a broadened first solvation shell.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗