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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Microwave assisted synthesis, spectral, magnetic and bioevolution of few Mn (II)-amide complexes

The importance and versatility of amide group containing ligands have promoted the selection of this class of ligands and their complexes for the study. The present work describes the synthesis, spectral and biological investigations on the complexes of amides derived from heterocyclic amines with Mn (II) ions. Four ligands derived 2-aminopyridine and their complexes with Mn (II) have been synthesized. A method for the synthesis of complexes has been developed by the use of microwave irradiation which is in agreement to Green chemistry approach. The complexes have been characterized on the basis of elemental analysis, infrared, electronic, ESR spectra and magnetic susceptibility studies. The diffuse reflectance spectrum of the complexes show bands in the region 20,000 cm{sup −1} to 26,000 cm{sup −1} assignable to {sup 6}A{sub 1g} → {sup 4}T{sub 2g} and {sup 6}A{sub 1g} → {sup 4}E{sub 1g} transitions. These are also typical of tetrahedral environment around the manganese. The magnetic moment (5.80 BM) of the complex indicates high spin tetrahedral environment. The microwave method of synthesis of complexes have been found easier, convenient and ecofriendly. Antimicrobial activities of compounds were also carried out against bacteria and fungi. Further minimal inhibitory concentration (MIC) was also determined for each compound.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2015

(40)Ar/(39)Ar Age of Hornblende-Bearing R Chondrite LAP 04840

Chondrites have a complex chronology due to several variables affecting and operating on chondritic parent bodies such as radiogenic heating, pressure and temperature variation with depth, aqueous alteration, and shock or impact heating. Unbrecciated chondrites can record ages from 4.56 to 4.4 Ga that represent cooling in small parent bodies. Some brecciated chondrites exhibit younger ages (much less than 4 to 4.4 Ga) that may reflect the age of brecciation, disturbance, or shock and impact events (much less than 4 Ga). A unique R chondrite was recently found in the LaPaz Icefield of Antarctica - LAP 04840. This chondrite contains approximately 15% hornblende and trace amounts of biotite, making it the first of its kind. Studies have revealed an equigranular texture, mineral equilibria yielding equilibration near 650-700 C and 250-500 bars, hornblende that is dominantly OH-bearing (very little Cl or F), and high D/H ratios. To help gain a better understanding of the origin of this unique sample, we have measured the (40)Ar/(39)Ar age (LAP 04840 split 39).

Righter, K.↗
DOE OSTI2017

Polycyclic Aromatic Hydrocarbon Emission in Spitzer /IRS Maps. II. A Direct Link between Band Profiles and the Radiation Field Strength

We decompose the observed 7.7 μ m polycyclic aromatic hydrocarbon (PAH) emission complexes in a large sample of over 7000 mid-infrared spectra of the interstellar medium using spectral cubes observed with the Spitzer /IRS-SL instrument. In order to fit the 7.7 μ m PAH emission complex we invoke four Gaussian components, which are found to be very stable in terms of their peak positions and widths across all of our spectra, and subsequently define a decomposition with fixed parameters, which gives an acceptable fit for all the spectra. We see a strong environmental dependence on the interrelationships between our band fluxes—in the H ii regions all four components are intercorrelated, while in the reflection nebulae (RNs) the inner and outer pairs of bands correlate in the same manner as previously seen for NGC 2023. We show that this effect arises because the maps of RNs are dominated by emission from strongly irradiated photodissociation regions, while the much larger maps of H ii regions are dominated by emission from regions much more distant from the exciting stars, leading to subtly different spectral behavior. Further investigation of this dichotomy reveals that the ratio of two of these components (centered at 7.6 and 7.8 μ m) is linearly related to the UV-field intensity (log G {sub 0}). We find that this relationship does not hold for sources consisting of circumstellar material, which are known to have variable 7.7 μ m spectral profiles.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1999

Analysis of the ST-T complex of the electrocardiogram using the Karhunen--Loeve transform: adaptive monitoring and alternans detection

The Karhunen-Loeve transform (KLT) is applied to study the ventricular repolarisation period as reflected in the ST-T complex of the surface ECG. The KLT coefficients provide a sensitive means of quantitating ST-T shapes. A training set of ST-T complexes is used to derive a set of KLT basis vectors that permits representation of 90% of the signal energy using four KLT coefficients. As a truncated KLT expansion tends to favor representation of the signal over any additive noise, a time series of KLT coefficients obtained from successive ST-T complexes is better suited for representation of both medium-term variations (such as ischemic changes) and short-term variations (such as ST-T alternans) than discrete parameters such as the ST level or other local indices. For analysis of ischemic changes, an adaptive filter is described that can be used to estimate the KLT coefficient, yielding an increase in the signal-to-noise ratio of 10 dB (u = 0.1), with a convergence time of about three beats. A beat spectrum of the unfiltered KLT coefficient series is used for detection of ST-T alterans. These methods are illustrated with examples from the European ST-T Database. About 20% of records revealed quasi-periodic salvos of ischemic ST-T change episodes and another 20% exhibit repetitive, but not clearly periodic patterns of ST-T change episodes. About 5% of ischemic episodes were associated with ST-T alterans.

NASA Discipline Cardiopulmonary↗
DOE OSTI2022

Printing noble metal alloy films with compositional gradient

Additive manufacturing has offered great promise in fabricating materials and devices with complex structures and unique properties. In addition to complex structures, additive manufacturing also allows for local changes to material compositions and/or structure, ideal for combinatorial material investigations. Besides, advantages over freedom of design, mass customization, waste minimization and the capability to fast prototyping, the on-demand control of compositional distributions in low dimensional materials remains challenging. In this work, we demonstrate a combinatorial aerosol jet printing technique to create noble metal films with gradient compositions. Nanoparticle sizes and ink chemistry are critical for aerosol jet printing and sintering process in order to achieve defect free thin films. Ruthenium (Ru) and platinum (Pt) nanoparticles with size <5 nm were synthesized and formulated into printable inks. Further, after thermal sintering at temperature as low as 400 °C, printed nanoparticles formed highly reflective films free from microstructural defect. Alloy films of gradient compositions were realized via in-situ mixing Ru and Pt ink streams and varying the mixing ratio during the printing process. This combinatorial printing method provides great potential to rapidly transform nanoparticle inks into new materials compositions and structures unobtainable via conventional methods for high-throughput materials studies.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Stable Isotope Fractionation by Transport and Transformation

Of the 92 elements naturally present on modern Earth, only 21 are monotopic. The remainder are composed of multiple isotopes, many of which are either stable or decay over such extraordinarily long timescales that they may be considered effectively stable for appropriate applications. Additionally,these isotopes of a given element are distinguished by the number of neutrons within their nucleus, resulting in subtle differences in mass. Though most fundamental characteristics of the isotopes of a given element are the same (e.g., charge, atomic number), their relative distributions in natural environments are altered as they are subjected to a range of mass- dependent transport and transformation processes. Urey and colleagues first demonstrated this mass-dependent partitioning within a thermodynamic framework (Urey 1947). Decades later, these small differences in isotopic abundances serve as the foundation for a suite of powerful diagnostic tools applied broadly across the Earth Sciences, constituting essential capabilities within the disciplines of hydrology, oceanography, petrology, paleoclimate, planetary science, paleontology, ecology, and microbiology, among others. In the following chapter, we review multiple pathways of isotopic fractionation and their treatment within numerical reactive transport frameworks. We focus on near-surface hydrologic systems hosting a variety of water–rock–life interactions which reflect a fundamental balance between transport and transformation. Such conditions describe a wide variety of environments, ranging from the cycling of water through terrestrial ecosystems, to the burial of carbonates in marine sediments, to the metabolism of microbes. We begin with consideration of simple fractionation in the absence of transport, followed by sequential addition of common transport influences with an emphasis on the unique information contained within isotopic observations in these systems. Lastly, we turn to more ‘complex’ reactive pathways that are not easily described by single unidirectional conversions.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2001

Understanding the Puzzling X-Ray Spectrum of the SO Galaxy NGC 4382; NGC 43819: Spectral Analysis of the Prototypical Early Merger and ASCA Observations of a Dynamically Young Elliptical: NGC 4125

We have analyzed the ASCA observations of NGC 4382, NGC 4038/9, NGC 4125 and produced papers for publication. NGC 4382 is one of the E and SO galaxies detected with the lowest X-ray to optical luminosity ratio. These galaxies have a peculiar X-ray (0.1-3 keV) spectrum, with a significant excess of counts in the lowest spectral channels (less than 1 keV) relative to the spectral count distributions of X-ray brihter E and SO galaxies. Analyzing the ROSAT PSPC observation of NGC 4382 it was unclear whether this soft excess was due to a real very soft component in a multi-component spectrum, or reflected an extremely low metal abundance in an isothermal hot gas. Our ASCA observations show that the low-abundance single-temperature model does not fit well to the X-ray spectrum, in agreement with our previous suggestions. A better explanation is a composite spectrum with a very soft component (0.3 keV) in addition to a harder (5 keV) component from X-ray binaries. In this model, the abundance cannot be constrained. More complex spectral models are also possible. The ASCA observations of The Antennae - (NGC4038/9) show that at least two spectral components are required to describe the emission-thermal emission from a plasma at 0.8 keV, and a component at higher energies. The hot gas contributes about half of the flux in the 0.5 to 6 keV band. If the column density to the higher energy component is greater than 2 x 10 (exp 21) per square centimeter, then the fitted abundance in the hot gas component is less than 0.2 solar. This low abundance is not expected for the hot interstellar medium in NGC4038/9 in which supernovae and star formation (expected to enrich and heat the gas) are ongoing. We do not detect any spatial variations in the spectrum. We relate these findings to data obtained by other satellites (Einstein, ROSAT) for this interacting galaxy pair. NGC4125's ASCA data was analyzed jointly with its Beppo-SAX observation. A hard component (kT /sim 4-10 keV) is observed together with a thermal component with line emission.

Fabbiano, Giuseppina↗
DOE OSTI2017

Modernization at the Y-12 National Security Complex: A Case for Additional Experimental Benchmarks

Efforts are underway at the Y-12 National Security Complex (Y-12) to modernize the recovery, purification, and consolidation of un-irradiated, highly enriched uranium metal. Successful integration of advanced technology such as Electrorefining (ER) eliminates many of the intermediate chemistry systems and processes that are the current and historical basis of the nuclear fuel cycle at Y-12. The cost of operations, the inventory of hazardous chemicals, and the volume of waste are significantly reduced by ER. It also introduces unique material forms and compositions related to the chemistry of chloride salts for further consideration in safety analysis and engineering. The work herein briefly describes recent investigations of nuclear criticality for 235UO2Cl2 (uranyl chloride) and 6LiCl (lithium chloride) in aqueous solution. Of particular interest is the minimum critical mass of highly enriched uranium as a function of the molar ratio of 6Li to 235U. The work herein also briefly describes recent investigations of nuclear criticality for 235U metal reflected by salt mixtures of 6LiCl or 7LiCl (lithium chloride), KCl (potassium chloride), and 235UCl3 or 238UCl3 (uranium tri-chloride). Computational methods for analysis of nuclear criticality safety and published nuclear data are employed in the absence of directly relevant experimental criticality benchmarks.

36 MATERIALS SCIENCE↗
DOE OSTI2020

High Fidelity Simulations of a Methane-Oxygen Rotating Detonation Rocket Engine

The rotating detonation combustor (RDC) is an important realization of pressure gain combustion for practical applications. The RDC system is characterized by a highly unsteady flow field, with multiple reflected pressure waves following the strong detonations and the existence of partially-burnt gases entrained within the detonation annulus during the injector recovery process. While experimental efforts have provided macroscopic properties of an RDC with a given fuel-oxidizer mixture and geometry, limited optical access and reduced lifespan of flow-field diagnostic equipment constrain understanding of the mechanisms that lend to wave stability, controllability, and sustainability. To this end, high-fidelity numerical simulations of the Air Force Research Laboratory (AFRL) methane-oxygen rotating detonation rocket engine (RDRE) are performed to provide detailed insight into the detonation physics and anomalous behavior within the combustor. The results highlight the merit of high-fidelity numerical studies in analyzing the combustion processes and injector dynamics of a complex combustion system. The simulations capture the general wave behavior observed within the experimental studies. Three different operating conditions, with varying global equivalence ratio and system mass flow rate, are considered: (1) baseline configuration, (2) high equivalence ratio, and (3) high mass flow rate. The high mass flow rate case results in increased detonation wave strength whereas the high equivalence ratio results in increased deflagrative heat release. The high equivalence ratio case results in chaotic behavior with two pairs of counter-rotating detonation waves, whereas a single pair of co-rotating waves is observed in the baseline and high mass flow rate cases. Further, parasitic combustion of the reactant mixture ahead of the detonation wave diminishes its strength and reduces propagation speed to approximately 50-60\% of the Chapman-Jouguet (CJ) condition. In this work, a detailed analysis of the detonation wave behavior, injector dynamics, and the statistics of combustion parameters are presented.

Prakash, Supraj↗
DOE OSTI2019

Tin Nitride Atomic Layer Deposition Using N2H4

There is substantial lag in the development of atomic layer deposition (ALD) processes for nitrides compared to the high-quality, conformal oxides for which ALD has become the standard. A major factor in this disparity is the ready availability of highly reactive oxygen sources (mainly H2O, O2, and H2O2). High-energy nitrogen precursors are similarly required for the efficient incorporation of nitrogen in a film. Ammonia has often been used in conjunction with metal chlorides but requires relatively high temperatures for thermal ALD. Plasma-enhanced ALD can utilize molecular nitrogen as a precursor but can reduce film conformality on complex supports and damage the underlying substrate. Hydrazine (N2H4) is an alternative precursor which has been rarely explored for the fabrication of nitrides in ALD, but which is experiencing a surge in popularity due to its high reactivity, which enables the deposition of nitrides as-yet undemonstrated by ALD.(1) The added reactivity and volatility of liquid hydrazine may enable new reaction mechanisms, lower deposition temperatures, and conformality for high aspect ratio applications. Sn3N4 is a metastable semiconductor which shares a crystal structure with its analog, Si3N4; unlike Si3N4, Sn3N4 has only recently been grown by ALD,(2) being synthesized much more often through reactive sputtering.(3) As a binary, Sn3N4 has applications as a battery anode material, for photoelectrochemistry, and optoelectronic devices. We will report progress on the deposition of SnxNy films from tetrakis(dimethylamido) tin (TDMASn) and N2H4. Growth per cycle of this material (determined by x-ray reflectivity) is 0.4 A at 200 C, similar to the sole report of Sn3N4 from PE-ALD,(2) despite films being substantially Sn-rich. Identification of ALD growth window and self-limiting deposition characteristics are underway; initial testing indicates a competing chemical vapor deposition process which can be eliminated with adequate tuning of pulse/purge characteristics. A comparison of film conductivity and optical absorption at different growth temperatures will be presented. General issues of N2H4 purity and routes to prevent or control oxynitride formation will be discussed. (1) Du, L., et al. The First Atomic Layer Deposition Process for FexN Films. Chem. Comm., 2019, ASAP. DOI: 10.1039/C8CC10175B. (2) Stewart, D. M., et al. Tin Oxynitride Anodes by Atomic Layer Deposition for Solid-State Batteries. Chem. Mater. 2018, 30, 2526-34. (3) Caskey, C. M., et al. Semiconducting Properties of Spinel Tin Nitride and Other IV3N4 Polymorphs. J. Mater. Chem. C 2015, 3, 1389-96.

14 SOLAR ENERGY↗
DOE OSTI2017

Aspartate transformation at 200 °C with brucite [Mg(OH) 2 ], NH 3 , and H 2 : Implications for prebiotic molecules in hydrothermal systems

Hydrothermal systems may have been favorable environments for the evolution of prebiotic chemistry on early Earth due to the presence of chemical, temperature, and redox gradients that could promote the formation of biomolecules. However, the relevance of these environments in origins of life scenarios has been debated due to rapid decomposition of biologically essential species, such as amino acids, at high temperatures. Little is known about the reactivity of amino acids in the presence of mineral surfaces and reducing conditions, which reflect the geochemical complexities of environments such as serpentinite-hosted hydrothermal vents. We investigated the decomposition of 25 mM aspartate at 200 °C and 15.5 bars (P SAT ) in gold capsules both with and without brucite [Mg(OH) 2 ], a mineral product of serpentinization, and reducing conditions (NH 4 Cl and H 2(aq) ). Here we observed that the reaction products of aspartate vary significantly with the initial reaction conditions. Fluids containing aspartate only decomposed to fumarate, maleate, malate, acetate, and trace amounts of succinate and glycine. However, under reducing conditions, the main product was succinate (8 mM) and also approximately 1 mM total of the amino acids glycine, α-alanine, and β-alanine. The amount of α-alanine increased three-fold with brucite. Furthermore, we detected a two-fold decrease in the fumarate concentration, whereas total maleate concentration dramatically decreased over ten-fold and resulted in an overall increase in the trans/cis ratio of these deamination products of aspartate from 0.9 to 4.5 as a function of brucite loading. This net decrease in fumarate and maleate concentration and the five-fold increase in the trans/cis ratio might have been caused by a combination of a pH increase and the formation of magnesite due to increased Mg 2 + ion concentration. The results of this study provide evidence that the fundamental properties of a hydrothermal system, including mineral assemblages, reducing conditions, and dissolved species concentrations, will influence the fate of amino acids at high temperature.

58 GEOSCIENCES↗
NASA NTRS1997

Application of High-Resolution Thermal Infrared Remote Sensing and GIS to Assess the Urban Heat Island Effect

Day and night airborne thermal infrared image data at 5 m spatial resolution acquired with the 15-channel (0.45 micron - 12.2 micron) Advanced Thermal and Land Applications Sensor (ATLAS) over Alabama, Huntsville on 7 September, 1994 were used to study changes in the thermal signatures of urban land cover types between day and night. Thermal channel number 13 (9.6 micron - 10.2 micron) data with the best noise-equivalent temperature change (NEAT) of 0.25 C after atmospheric corrections and temperature calibration were selected for use in this analysis. This research also examined the relation between land cover irradiance and vegetation amount, using the Normalized Difference Vegetation Index (NDVI), obtained by ratioing the difference and the sum of the red (channel number 3: 0.60-0.63 micron) and reflected infrared (channel number 6: 0.76-0.90 micron) ATLAS data. Based on the mean radiance values, standard deviations, and NDVI extracted from 351 pairs of polygons of day and night channel number 13 images for the city of Huntsville, a spatial model of warming and cooling characteristics of commercial, residential, agricultural, vegetation, and water features was developed using a GIS approach. There is a strong negative correlation between NDVI and irradiance of residential, agricultural, and vacant/transitional land cover types, indicating that the irradiance of a land cover type is greatly influenced by the amount of vegetation present. The predominance of forests, agricultural, and residential uses associated with varying degrees of tree cover showed great contrasts with commercial and services land cover types in the center of the city, and favors the development of urban heat islands. The high-resolution thermal infrared images match the complexity of the urban environment, and are capable of characterizing accurately the urban land cover types for the spatial modeling of the urban heat island effect using a GIS approach.

Lo, C. P.↗
DOE OSTI2024

Stream water sourcing from high-elevation snowpack inferred from stable isotopes of water: a novel application of d-excess values

About 80 % of the precipitation at the Colorado River's headwaters is snow, and the resulting snowmelt-driven hydrograph is a crucial water source for about 40 million people. Snowmelt from alpine and subalpine snowpack contributes substantially to groundwater recharge and river flow. However, the dynamics of snowmelt progression are not well understood because observations of the high-elevation snowpack are difficult due to challenging access in complex mountainous terrain as well as the cost and labor intensity of currently available methods. We present a novel approach to infer the processes and dynamics of high-elevation snowmelt contributions predicated upon stable hydrogen and oxygen isotope ratios observed in streamflow. We show that deuterium-excess (d-excess) values of stream water could serve as a comparatively cost-effective proxy for a catchment-integrated signal of high-elevation snowmelt contributions to catchment runoff. We sampled stable hydrogen and oxygen isotope ratios of the precipitation, snowpack, and stream water in the East River, a headwater catchment of the Colorado River, and the stream water of larger catchments at sites on the Gunnison River and Colorado River. The d-excess of snowpack increased with elevation; the upper subalpine and alpine snowpack (> 3200 m) had substantially higher d-excess compared to lower elevations (< 3200 m) in the study area. The d-excess values of stream water reflected this because d-excess values increased as the higher-elevation snowpack contributed more to stream water generation later in the snowmelt/runoff season. End-member mixing analyses based on the d-excess data showed that the share of high-elevation snowmelt contributions within the snowmelt hydrograph was on average 44 % and generally increased during melt period progression, up to 70 %. The observed pattern was consistent during 6 years for the East River, and a similar relation was found for the larger catchments on the Gunnison and Colorado rivers. High-elevation snowpack contributions were found to be higher for years with lower snowpack and warmer spring temperatures. Thus, we conclude that the d-excess of stream water is a viable proxy to observe changes in high-elevation snowmelt contributions in catchments at various scales. Inter-catchment comparisons and temporal trends of the d-excess of stream water could therefore serve as a catchment-integrated measure to monitor if mountain systems rely on high-elevation water inputs more during snow drought compared to years of average snowpack depths.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRSDate not supplied

Machine Learning Algorithms for Aerosol and Cloud Detection Using CATS on the ISS

Clouds and aerosols are one of the largest uncertainties in understanding and forecasting the Earth’s changing climate system. The type and height of aerosols are important factors in determining the top-of-atmosphere (TOA) radiation budget, either direct reflection of solar radiation back to space and/or absorption of solar radiation. In addition to their impact on the Earth’s climate system, aerosols near the surface from wildfires, man-made pollution events, and dust storms are hazardous to human health. The phase and height of clouds also play a critical role in determining the role of clouds in the Earth’s climate system. Cirrus clouds in the upper troposphere can induce a significant daytime TOA warming effect, while liquid water clouds near the surface cause a large corresponding cooling effect. Lidar measurements provide accurate vertically resolved information about clouds and aerosols, including complex multi-layer scenes where passive sensors are challenged and at night, when passive sensors are unable to measure cloud and aerosol properties. The Cloud-Aerosol Transport System (CATS) is a lidar instrument that operated for 33 months on the International Space Station (ISS) at the 1064 nm wavelength to measure attenuated total backscatter and depolarization ratio. These fundamental measurements are used to derive “vertical feature mask” cloud and aerosol products, including layer top/base heights, layer geometrical thickness, aerosol type, and cloud phase. While space-based lidar systems like CATS provide cloud and aerosol vertical distributions that improve our understanding of the climate system, averaging of the daytime data from these sensors is required, at the expense of spatial resolution, to improve the daytime signal-to noise (SNR) and thus atmospheric layer detection. This presentation shows results from machine learning (ML) techniques that, when applied to CATS data: 1. improve the 1064 nm SNR 2. enable detection of atmospheric features during daytime with a horizontal resolution of 350 m or 5 km (compared to the 60 km required for standard CATS data products) 3. increase the number of atmospheric layers detected in the CATS data. A Convolutional Neural Network (CNN) trained using CATS standard data products also demonstrated the potential for improved cloud-aerosol discrimination, cloud phase, and aerosol typing compared to the operational CATS algorithms for cloud edges and complex near-surface scenes during daytime. The ML tools described in this paper can facilitate the development of smaller, low-cost lidar systems in the future and enable real-time accessibility of lidar data products from future lidar systems for monitoring and forecasting of hazardous events.

John Yorks↗
DOE OSTI2026

Pyridine Complexes of Iodobismuthate(III) Anions

We report a rare family of pyridine-coordinated iodobismuthate(III) salts supported by alkyltriphenylphosphonium and tetraphenylphosphonium cations. Reactions of BiI 3 with Ph 3 PR + I − (R = Me, Et, n Pr, n Bu, Ph) in neat pyridine, followed by crystallization, yield structurally tunable bismuth-halide-pyridine anions dictated by reagent stoichiometry. Combination of BiI 3 and Ph 3 PR + I − in 2:1 ratio produced [Ph 3 PR] 2 [BiI 5 Py], 1 (R = Me, Et, n Pr, Ph), while combination in 1:1 ratio resulted in three compounds: [Ph 3 PR][cis-BiI 4 Py 2 ], 2 (R = n Pr, Ph), [Ph 3 PR][trans-BiI 4 Py 2 ], 3 (R = Me, Et, Ph), and [Ph 3 PR] 2 [transoid-Bi 2 I 8 Py 2 ], 4 (R = Me, Et, n Pr, n Bu, Ph). In many cases, the compounds were isolated as Py or Et 2 O solvates, and in some cases, multiple degrees of solvation or polymorphism were encountered. Hirshfeld analysis of 1–4 showed the major anion–cation/anion/solvent interactions to be H⋯I, H⋯H, and C⋯H. Diffuse reflectance measurements of representative compounds, all of which were yellow-orange to red-orange, revealed bandgaps in the range of 1.9–2.2 eV, where density-of-states KS-DFT calculations attribute the absorption to metal-centered charge transfer within the anionic unit. NLMO and QTAIM analyses further indicate predominantly ionic Bi(III)–I/pyridine bonding with robust inner-sphere coordination that is insensitive to anion speciation.

Bismuth Compounds↗
NASA NTRSDate not supplied

Design and Analysis of A Jet Stretcher for High-Altitude Supersonic Free Jet Testing

A jet stretcher can be used to extend the region of clean flow for a test article in a supersonic free jet. The device acts to shield the article from shock waves reflected from the free jet shear layer. It can also allow for overexpanded nozzle operation through blocking shocks emanating from the nozzle lip, enlarging the potential test envelope. The FUN3D computational fluid dynamics solver was used to test a design process for developing jet stretchers. The inner surface of the axisymmetric jet stretcher was obtained from a streamline extracted from a free flight simulation around a notional test article at the intended test condition of Mach 3.2, 53,000 ft. The test article and jet stretcher were then simulated in a free jet nozzle exhaust, and the flowfield within a notional inlet aperture was compared between the installed and free flight calculations. Ambient pressure was increased until separation within the free jet nozzle finally induced disturbances at the inlet. The jet stretcher was shown to provide clean flow to the inlet at cell pressure ratios up to 2.8. A process for trimming the axisymmetric jet stretcher was also tested. This was intended to provide blockage relief for complex test articles, aiding with starting, as well as reducing weight and fabrication cost. The trimmed jet stretcher performed identically to the axisymmetric model at slightly-overexpanded conditions, but at cell pressure ratios above 1.3 allowed disturbances from the trailing edge to reach the inlet.

free jet↗
NASA NTRSDate not supplied

Design and Analysis of A Jet Stretcher for High-Altitude Supersonic Free Jet Testing

A jet stretcher can be used to extend the region of clean flow for a test article in a supersonic free jet. The device acts to shield the article from shock waves reflected from the free jet shear layer. It can also allow for overexpanded nozzle operation through blocking shocks emanating from the nozzle lip, enlarging the potential test envelope. The FUN3D computational fluid dynamics solver was used to test a design process for developing jet stretchers. The inner surface of the axisymmetric jet stretcher was obtained from a streamline extracted from a free flight simulation around a notional test article at the intended test condition of Mach 3.2, 53,000 ft. The test article and jet stretcher were then simulated in a free jet nozzle exhaust, and the flowfield within a notional inlet aperture was compared between the installed and free flight calculations. Ambient pressure was increased until separation within the free jet nozzle finally induced disturbances at the inlet. The jet stretcher was shown to provide clean flow to the inlet at cell pressure ratios up to 2.8. A process for trimming the axisymmetric jet stretcher was also tested. This was intended to provide blockage relief for complex test articles, aiding with starting, as well as reducing weight and fabrication cost. The trimmed jet stretcher performed identically to the axisymmetric model at slightly overexpanded conditions, but at cell pressure ratios above 1.3 allowed disturbances from the trailing edge to reach the inlet.

free jet↗
DOE OSTI2020

Comparison of total emitted solar-induced chlorophyll fluorescence (SIF) and top-of-canopy (TOC) SIF in estimating photosynthesis

We report many studies have shown that solar-induced fluorescence (SIF) has a good potential to predict gross primary production (GPP) of vegetation. What we measured by remote sensing or near-surface platforms is top-of-canopy (TOC) SIF (SIF toc ), which is not necessarily equal or proportional to total emitted SIF (SIF tot ) from the entire canopy due to the (re)absorption and scattering effects. However, photosynthesis, the process that plants use to fix carbon from the atmosphere, occurs at the entire vertical canopy. Here, by using the recollision theory, we calculated SIF tot at 760 nm from the measured SIF toc , hyperspectral reflectance (R), canopy interception (i) and leaf albedo (ω l ). Among them, both SIF toc and R can be obtained from concurrent TOC spectral measurements; i and ω l in the near-infrared region can be estimated from the open access datasets with a good accuracy. Our result confirms that the measured SIF toc only accounts for a small fraction of SIF tot : the above-the-canopy sensor can only “see” on average 22.9% of SIF tot at Harvard Forest. SIF tot has the following advantages over SIF toc in estimating GPP: (1) SIF tot improves the diurnal estimate of canopy GPP, especially capable to capture the midday depression of photosynthesis which may cause the large discrepancies between SIF toc and GPP on a diurnal basis, (2) SIF tot produces a stronger correlation with GPP from plants with complex canopy structure or under sky conditions with more diffuse irradiance, and (3) the SIF tot -GPP relationship shows a stronger resilience to environmental stresses. The fluorescence escape ratio (f esc ), the ratio between SIF toc multiplied by π and SIF tot , is mostly determined by the sun-canopy-sensor geometry and leaf inclination distribution. The effect of LAI and the leaf chlorophyll concentration on f esc is marginal at the 760 nm wavelength. Our results suggest that converting SIF toc into SIF tot provides a better tool to understand and estimate GPP.

54 ENVIRONMENTAL SCIENCES↗