Search NASA⌕ Search

SEARCH · Search NASA

Results for “LEADING ABSTRACT”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 505 records · Page 28

Shinkolobweite, from the Shinkolobwe Mine, Democratic Republic of Congo: A New Mineral Containing Uranium in the Rare Pentavalent Oxidation State

ABSTRACT Shinkolobweite, Pb1.333[U5+O(OH)(UO2)5O4.67(OH)5.33](H2O)5, is a new lead uranyl oxide-hydroxide hydrate mineral containing hexavalent and pentavalent uranium from the Shinkolobwe mine, Democratic Republic of Congo. Crystals of shinkolobweite are dark reddish-brown prisms up to 0.5 mm in length, occurring on a matrix of massive uraninite associated with fourmarierite, rutherfordine, soddyite, and sklodowskite. Crystals are translucent with subadamantine luster and light bronze-yellow streak, are flattened on {010}, are elongated on [001], and exhibit the forms {100}, {010}, {101}, and . The mineral is non-fluorescent under both longwave and shortwave ultraviolet illumination. It has a Mohs hardness of ∼2 and exhibits brittle tenacity with perfect cleavage on {010}, imperfect cleavage on {100}, and even fracture. The calculated density is 5.853 g/cm3 based on the empirical formula. Electron probe microanalysis provided the empirical formula Pb1.290U6+4.876U5+1.166O27H16.633 based on 27 O apfu and U5+:U6+ determined by X-ray photoelectron spectroscopy. Shinkolobweite is orthorhombic, superspace group Pnnm(0b0)000, a = 14.4808(4), b = 7.0681(8), c = 11.9423(3) Å, V = 1222.32(15) Å3, modulation wave vector [0 1/3 0], and Z = 2. The structure was refined from 8959 reflections to a final R1 = 0.0736 for all reflections. Uranyl oxide-hydroxide sheets in shinkolobweite adopt the β-U3O8 topology and possess (3 + 1) commensurately modulated ordering that results from the long-range ordering of U5+ and U6+ in the sheet, as well as the position and occupancy of interlayer Pb2+ cations. Observations of a topological transition between α-U3O8 and β-U3O8 type sheets in shinkolobweite supplements our understanding of U5+ mineral oxidation and stability.

Mineralogy↗

Performance of the Quasar Spectral Templates for the Dark Energy Spectroscopic Instrument

Abstract Millions of quasar spectra will be collected by the Dark Energy Spectroscopic Instrument (DESI), leading to a fourfold increase in the number of known quasars. High-accuracy quasar classification is essential to tighten constraints on cosmological parameters measured at the highest redshifts DESI observes ( z > 2.0). We present spectral templates for identification and redshift estimation of quasars in the DESI Year 1 data release. The quasar templates are comprised of two quasar eigenspectra sets, trained on spectra from the Sloan Digital Sky Survey. The sets are specialized to reconstruct quasar spectral variation observed over separate yet overlapping redshift ranges and, together, are capable of identifying DESI quasars from 0.05 < z < 7.0. The new quasar templates show significant improvement over the previous DESI quasar templates regarding catastrophic failure rates, redshift precision and accuracy, quasar completeness, and the contamination fraction in the final quasar sample.

79 ASTRONOMY AND ASTROPHYSICS↗

Sponge-like silver obtained by decomposition of silver nitrate hexamethylenetetramine complex

Silver nitrate hexamethylenetetramine [Ag(NO{sub 3})·N{sub 4}(CH{sub 2}){sub 6}] coordination compound has been prepared via aqueous route and characterized by chemical analysis, XRD and electron microscopy. Decomposition of [Ag(NO{sub 3})·N{sub 4}(CH{sub 2}){sub 6}] under hydrogen and under inert has been studied by thermal analysis and mass spectrometry. Thermal decomposition of [Ag(NO{sub 3})·N{sub 4}(CH{sub 2}){sub 6}] proceeds in the range 200–250 °C as a self-propagating rapid redox process accompanied with the release of multiple gases. The decomposition leads to formation of sponge-like silver having hierarchical open pore system with pore size spanning from 10 µm to 10 nm. The as-obtained silver sponges exhibited favorable activity toward H{sub 2}O{sub 2} electrochemical reduction, making them potentially interesting as non-enzyme hydrogen peroxide sensors. - Graphical abstract: Thermal decomposition of silver nitrate hexamethylenetetramine coordination compound [Ag(NO{sub 3})·N{sub 4}(CH{sub 2}){sub 6}] leads to sponge like silver that possesses open porous structure and demonstrates interesting properties as an electrochemical hydrogen peroxide sensor. Display Omitted - Highlights: • [Ag(NO{sub 3})·N{sub 4}(CH{sub 2}){sub 6}] orthorhombic phase prepared and characterized. • Decomposition of [Ag(NO{sub 3})·N{sub 4}(CH{sub 2}){sub 6}] leads to metallic silver sponge with opened porosity. • Ag sponge showed promising properties as a material for hydrogen peroxide sensors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A design for a ground-based data management system

An initial design for a ground-based data management system which includes intelligent data abstraction and cataloging is described. The large quantity of data on some current and future NASA missions leads to significant problems in providing scientists with quick access to relevant data. Human screening of data for potential relevance to a particular study is time-consuming and costly. Intelligent databases can provide automatic screening when given relevent scientific parameters and constraints. The data management system would provide, at a minimum, information of availability of the range of data, the type available, specific time periods covered together with data quality information, and related sources of data. The system would inform the user about the primary types of screening, analysis, and methods of presentation available to the user. The system would then aid the user with performing the desired tasks, in such a way that the user need only specify the scientific parameters and objectives, and not worry about specific details for running a particular program. The design contains modules for data abstraction, catalog plan abstraction, a user-friendly interface, and expert systems for data handling, data evaluation, and application analysis. The emphasis is on developing general facilities for data representation, description, analysis, and presentation that will be easily used by scientists directly, thus bypassing the knowledge acquisition bottleneck. Expert system technology is used for many different aspects of the data management system, including the direct user interface, the interface to the data analysis routines, and the analysis of instrument status.

Lambird, Barbara A.↗

Optical property investigations of polystyrene capped Ca{sub 2}P{sub 2}O{sub 7}:Dy{sup 3+} persistent phosphor

Highlights: • Synthesis of polymer capped pyrophosphate phosphors by citrate gel method. • Radiative lifetime is calculated from parameters of Judd-Ofelt theory and ICP-AES. • Reaction mechanism is discussed leading to high photoluminescence efficiency. • PL emission spectrum reveals broad band emission suitable for solid state lighting. - Abstract: By virtue of enhanced photosensivity, good optical response and better thermal stability, organic–inorganic hybrid materials are contemplated as one of the alternatives for designing advanced optoelectronic devices and innovative photonic applications. A novel inorganic organic hybrid Ca{sub 2}P{sub 2}O{sub 7}:Dy{sup 3+} phosphor has been fabricated by Pechini method. The optical property of synthesized phosphor is successfully altered by the in corporation of polystyrene sulfonic acid as capping agent in the colloidal solution. The phase purity and the average particle size of the prepared phosphor were calculated from X-ray diffraction (XRD) employing Debye Scherrer method. The morphological and chemical investigations were carried out through scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS) analysis. The radiative transitions are explained on the basis of Judd-Ofelt theory and on the basis of derived parameters, the radiative lifetime of persistent hybrid Ca{sub 2}P{sub 2}O{sub 7}:Dy{sup 3+} phosphor is calculated as 5.33 ms. This paper explores the mechanism leading to high photoluminescence efficiency using organic capping additives. The photoluminescence (PL) graphs reveal broad band emission at 482 nm (blue) and 573 nm (yellow) corresponding to {sup 4}F{sub 9/2}-{sup 6}H{sub 15/2} and {sup 4}F{sub 9/2}-{sup 6}H{sub 13/2} transitions of Dy{sup 3+}, respectively. The Commission International De I-Eclairage (CIE) chromaticity co-ordinates were calculated from emission spectra and the values (x, y) were approaching to standard value of white emission. The synthesized pyrophosphate phosphors can thereby account in multiple potential applications including white light emitting diodes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Infrared signature of the hydroperoxyalkyl intermediate (·QOOH) in cyclohexane oxidation: An isomer-resolved spectroscopic study

Infrared (IR) action spectroscopy is utilized to characterize carbon-centered hydroperoxy-cyclohexyl radicals (·QOOH) transiently formed in cyclohexane oxidation. The oxidation pathway leads to three nearly degenerate ·QOOH isomers, β-, γ-, and δ-QOOH, which are generated in the laboratory by H-atom abstraction from the corresponding ring sites of the cyclohexyl hydroperoxide (CHHP) precursor. The IR spectral features of jet-cooled and stabilized ·QOOH radicals are observed from 3590 to 7010 cm −1 (∼10–20 kcal mol −1 ) at energies in the vicinity of the transition state (TS) barrier leading to OH radicals that are detected by ultraviolet laser-induced fluorescence. The experimental approach affords selective detection of β-QOOH, arising from its significantly lower TS barrier to OH products compared to γ and δ isomers, which results in rapid unimolecular decay and near unity branching to OH products. The observed IR spectrum of β-QOOH includes fundamental and overtone OH stretch transitions, overtone CH stretch transitions, and combination bands involving OH or CH stretch with lower frequency modes. The assignment of β-QOOH spectral features is guided by anharmonic frequencies and intensities computed using second-order vibrational perturbation theory. The overtone OH stretch (2ν OH ) of β-QOOH is shifted only a few wavenumbers from that observed for the CHHP precursor, yet they are readily distinguished by their prompt vs slow dissociation rates to OH products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Hazardous waste status of discarded electronic cigarettes

Highlights: • Electronic cigarettes were tested using TCLP and WET. • Several electronic cigarette products leached lead at hazardous waste levels. • Lead was the only element that exceeded hazardous waste concentration thresholds. • Nicotine solution may cause hazardous waste classification when discarded unused. - Abstract: The potential for disposable electronic cigarettes (e-cigarettes) to be classified as hazardous waste was investigated. The Toxicity Characteristic Leaching Procedure (TCLP) was performed on 23 disposable e-cigarettes in a preliminary survey of metal leaching. Based on these results, four e-cigarette products were selected for replicate analysis by TCLP and the California Waste Extraction Test (WET). Lead was measured in leachate as high as 50 mg/L by WET and 40 mg/L by TCLP. Regulatory thresholds were exceeded by two of 15 products tested in total. Therefore, some e-cigarettes would be toxicity characteristic (TC) hazardous waste but a majority would not. When disposed in the unused form, e-cigarettes containing nicotine juice would be commercial chemical products (CCP) and would, in the United States (US), be considered a listed hazardous waste (P075). While household waste is exempt from hazardous waste regulation, there are many instances in which such waste would be subject to regulation. Manufactures and retailers with unused or expired e-cigarettes or nicotine juice solution would be required to manage these as hazardous waste upon disposal. Current regulations and policies regarding the availability of nicotine-containing e-cigarettes worldwide were reviewed. Despite their small size, disposable e-cigarettes are consumed and discarded much more quickly than typical electronics, which may become a growing concern for waste managers.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Exploring the chemical dynamics of phenanthrene (C 14 H 10 ) formation via the bimolecular gas-phase reaction of the phenylethynyl radical (C 6 H 5 CC) with benzene (C 6 H 6 )

The exploration of the fundamental formation mechanisms of polycyclic aromatic hydrocarbons (PAHs) is crucial for the understanding of molecular mass growth processes leading to two- and three-dimensional carbonaceous nanostructures (nanosheets, graphenes, nanotubes, buckyballs) in extraterrestrial environments (circumstellar envelopes, planetary nebulae, molecular clouds) and combustion systems. While key studies have been conducted exploiting traditional, high-temperature mechanisms such as the hydrogen abstraction–acetylene addition (HACA) and phenyl addition–dehydrocyclization (PAC) pathways, the complexity of extreme environments highlights the necessity of investigating chemically diverse mass growth reaction mechanisms leading to PAHs. Employing the crossed molecular beams technique coupled with electronic structure calculations, we report on the gas-phase synthesis of phenanthrene (C 14 H 10 )—a three-ring, 14π benzenoid PAH—via a phenylethynyl addition–cyclization–aromatization mechanism, featuring bimolecular reactions of the phenylethynyl radical (C 6 H 5 CC, X 2 A 1 ) with benzene (C 6 H 6 ) under single collision conditions. The dynamics involve a phenylethynyl radical addition to benzene without entrance barrier leading eventually to phenanthrene via indirect scattering dynamics through C 14 H 11 intermediates. The barrierless nature of reaction allows rapid access to phenanthrene in low-temperature environments such as cold molecular clouds which can reach temperatures as low as 10 K. Furthermore, this mechanism constitutes a unique, low-temperature framework for the formation of PAHs as building blocks in molecular mass growth processes to carbonaceous nanostructures in extraterrestrial environments thus affording critical insight into the low-temperature hydrocarbon chemistry in our universe.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Fabrication of Al-Zn solid solution via friction stir processing

Highlights: • Thermomechanical nature of FSP was utilized for mechanical alloying. • Zn particles dissolved in Al during FSP to form solid solution. • Second pass of FSP lead to homogenization and partial decomposition of the solid solution. • Processed alloy exhibited improved hardness over base and FSPed metal. • The process can be adopted for site specific property enhancement. - Abstract: The present study demonstrates that friction stir processing (FSP) can be used as a mechanical alloying tool to process solid solution. Zn was incorporated in commercially pure aluminium by multi-pass FSP leading to its dissolution and formation of supersaturated solid solution which was confirmed by X-ray diffraction and scanning electron microscopy. The hardness across the stir zone matched with the distribution of Zn and was significantly improved compared to the base metal. The supersaturated solid solution that formed in the first pass, partially decomposed during the second pass, leading to the formation of fine Al-Zn precipitates. Thermal stability of the microstructure against abnormal grain growth was also improved after the second pass due to the pinning effect of the grain boundary precipitates. FSP also caused grain refinement of the alloy yielding fine equiaxed grains in the range of 4–6 μm with a high fraction (> 67%) of high angle grain boundaries. Such microstructure is conducive for isotropic properties and the fact that the microstructure is stable against thermal cycles make the process suitable for selective alloying for location specific property enhancement.

36 MATERIALS SCIENCE↗

Intrinsic (Trap‐Free) Transistors Based on Epitaxial Single‐Crystal Perovskites

Abstract The first experimental realization of the intrinsic (not dominated by defects) charge conduction regime in lead‐halide perovskite field‐effect transistors (FETs) is reported. The advance is enabled by: i) a new vapor‐phase epitaxy technique that results in large‐area single‐crystalline cesium lead bromide (CsPbBr 3 ) films with excellent structural and surface properties, including atomically flat surface morphology, essentially free from defects and traps at the level relevant to device operation; ii) an extensive materials analysis of these films using a variety of thin‐film and surface probes certifying the chemical and structural quality of the material; and iii) the fabrication of nearly ideal (trap‐free) FETs with characteristics superior to any reported to date. These devices allow the investigation of the intrinsic FET and (gated) Hall‐effect carrier mobilities as functions of temperature. The intrinsic mobility is found to increase on cooling from ≈30 cm 2 V −1 s −1 at room temperature to ≈250 cm 2 V −1 s −1 at 50 K, revealing a band transport limited by phonon scattering. Establishing the intrinsic (phonon‐limited) mobility provides a solid test for theoretical descriptions of carrier transport in perovskites, reveals basic limits to the technology, and points to a path for future high‐performance perovskite electronic devices.

36 MATERIALS SCIENCE↗

Aerosol‐Jet‐Printable Covalent Organic Framework Colloidal Inks and Temperature‐Sensitive Nanocomposite Films

Abstract With molecularly well‐defined and tailorable 2D structures, covalent organic frameworks (COFs) have emerged as leading material candidates for chemical sensing, storage, separation, and catalysis. In these contexts, the ability to directly and deterministically print COFs into arbitrary geometries will enable rapid optimization and deployment. However, previous attempts to print COFs have been restricted by low spatial resolution and/or post‐deposition polymerization that limits the range of compatible COFs. Here, these limitations are overcome with a pre‐synthesized, solution‐processable colloidal ink that enables aerosol jet printing of COFs with micron‐scale resolution. The ink formulation utilizes the low‐volatility solvent benzonitrile, which is critical to obtaining homogeneous printed COF film morphologies. This ink formulation is also compatible with other colloidal nanomaterials, thus facilitating the integration of COFs into printable nanocomposite films. As a proof‐of‐concept, boronate‐ester COFs are integrated with carbon nanotubes (CNTs) to form printable COF‐CNT nanocomposite films, in which the CNTs enhance charge transport and temperature sensing performance, ultimately resulting in high‐sensitivity temperature sensors that show electrical conductivity variation by 4 orders of magnitude between room temperature and 300 °C. Overall, this work establishes a flexible platform for COF additive manufacturing that will accelerate the incorporation of COFs into technologically significant applications.

2D materials↗

Fluorination of Lithium‐Excess Transition Metal Oxide Cathode Materials

Abstract Fluorination of Li‐ion cathode materials is of significant interest as it is claimed to lead to significant improvements in long‐term reversible capacity. However, the mechanism by which LiF incorporates and improves performance remains uncertain. Indeed, recent evidence suggests that fluorine is often present as a coating layer rather than incorporated into the bulk of the material. In this work, first‐principles calculations are used to investigate the thermodynamics of fluorination in transition metal oxide cathodes to determine the conditions under which bulk fluorination is possible. It is found that unlike classic well‐ordered cathodes, which cannot incorporate fluorine, disordered rock salt‐structured materials achieve significant fluorination levels due to the presence of locally metal‐poor, lithium‐rich environments that are highly preferred for fluorine. As well as explaining the fluorination process in known materials, this finding is encouraging for the development of new disordered rock salt lithium‐excess transition metal oxides, a promising new class of Li‐ion battery cathode materials that offer superior practical capacity to traditional layered oxides. In particular, it is found that bulk fluorination may serve as an alternative source of Li‐excess in these compounds that can replace the conventional substitution of a heavy redox‐inactive element on the transition metal sublattice.

Richards, William D.↗

4-Hydroxy-tetrahydrodipicolinate reductase from Neisseria gonorrhoeae – structure and interactions with coenzymes and substrate analog

Highlights: • N. gonorrhoeae is an obligate human pathogen which is a leading cause of communicable diseases. • 4-Hydroxy-tetrahydrodipicolinate reductase from N. gonorrhoeae (NgDapB) is a new drug target, and its structure was determined. • ITC we have demonstrated and characterized binding of NADH, NADPH and an inhibitor (2,6-PDC) to NgDapB. • In the case of NgDapB, the ITC results suggest random sequential mechanism for substrate binding. • A large scale analysis of DapBs' sequences revealed that DapBs can be segregated into three distinct groups. Neisseria gonorrhoeae, an obligate human pathogen, is a leading cause of communicable diseases globally. Due to rapid development of drug resistance, the rate of successfully curing gonococcal infections is rapidly decreasing. Hence, research is being directed toward finding alternative drugs or drug targets to help eradicate these infections. 4-Hydroxy-tetrahydrodipicolinate reductase (DapB), an important enzyme in the meso-diaminopimelate pathway, is a promising target for the development of new antibiotics. This manuscript describes the first structure of DapB from N. gonorrhoeae determined at 1.85 Å. This enzyme uses NAD(P)H as cofactor. Details of the interactions of the enzyme with its cofactors and a substrate analog/inhibitor are discussed. A large scale bioinformatics analysis of DapBs' sequences is also described.

60 APPLIED LIFE SCIENCES↗

Nanoscale carbon materials from hydrocarbons pyrolysis: Structure, chemical behavior, utilisation for non-aqueous supercapacitors

Highlights: • N-doped and regular carbon nanomaterials were obtained by pyrolitic technique. • Dynamic vapor sorption of different solvents reveals smaller S{sub BET} values. • Steric hindrance and specific chemical interactions are the reasons for this. • Nitrogen doping leads to raise of capacitance and coulombic efficiency with non-aqueous N-containing electrolyte. - Abstract: This work systematically studies adsorption properties of carbon nanomaterials that are synthesized through hydrocarbons that is a powerful technique to fabricate different kinds of carbon materials, e.g., nanotubes, nanoshells, onions, including nitrogen substituted. The adsorption properties of the as-synthesized carbons are achieved by low temperature nitrogen adsorption and organic vapors sorption. Heptane, acetonitrile, water, ethanol, benzene and 1-methylimidazole, which are of great importance for development of supercapacitors, are used as substrates. It is discovered that while nitrogen adsorption reveals a high specific surface area, this parameter for most of organic compounds is rather small depending not only on the size of its molecule but also on chemical interactions for a pair adsorbent–adsorbate. The experimental values of heat of adsorption for carbon and N-substituted structures, when Coulomb cross-coupling of nitrogen atoms in adsorbent and adsorbate takes place, confirms this supposition.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Raman spectroscopy, dielectric properties and phase transitions of Ag{sub 0.96}Li{sub 0.04}NbO{sub 3} ceramics

Highlights: • First Raman scattering studies of Ag{sub 0.96}Li{sub 0.04}NbO{sub 3}, allowed us to correlate temperature evolution of relaxational frequency γ{sub R}(T) with the Nb-ion dynamics and showed its changes at freezing temperature and ferrielectric transition. - Abstract: Silver lithium niobates Ag{sub 1−x}Li{sub x}NbO{sub 3} are promising lead free piezoelectrics. Good quality Ag{sub 0.96}Li{sub 0.04}NbO{sub 3} ceramics were obtained. Dielectric and DSC studies showed that, in comparison to AgNbO{sub 3,} temperatures of phase transitions slightly decrease. Dielectric studies pointed to enhancement of polar properties. Remnant polarisations achieves value of 0.6 μC/cm{sup 2}. Maximum of ϵ(T) dependences related to the relaxor-like ferroelectric/ferrielectric M{sub 1}–M{sub 2} transition becomes higher and more frequency dependent. Analysis of Raman spectra showed that two modes at 50 and 194 cm{sup −1} exhibit significant softening. Low frequency part of the Raman spectra which involve central peak and soft mode were analysed using two models. CP was assumed as relaxational vibration and described by Debye function. The slope of temperature dependences of relaxational frequency γ{sub R}(T) changes at approximately 470 and 330 K, indicating that slowing down process of relaxational vibrations changes in the vicinity of partial freezing of Nb-ion dynamics T{sub f} and further freezing at ferroelectric/ferrielectric phase transition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Simple synthesis of PbSe nanocrystals and their self-assembly into 2D ‘flakes’ and 1D ‘ribbons’ structures

Highlights: • PbSe is obtained in a simple way by the co-precipitation method at low-temperature. • The structural, morphological and optical properties of PbSe were studied. • Adding NH{sub 4}OH to the precursor solutions influences on the morphology. • 2D- and 1D-PbSe structures assemble by oriented attachment. • PbSe can be a potential candidate for thermoelectric applications. - Abstract: This work presents a simple and low-temperature method to prepare a variety of Lead selenide (PbSe) nanostructures, using aqueous solutions of Pb(NO{sub 3}){sub 2} and NaHSe. Nanostructures with different morphology were obtained by varying the Pb:Se molar ratio, as well as the mixing sequence of NH{sub 4}OH with either Pb(NO{sub 3}){sub 2} or NaHSe. Nanoparticles with different shapes (spherical and octahedral), and self-assembled structures (flakes and ribbons) were observed by Transmission Electron Microscopy. X-ray results confirmed that the PbSe rock-salt crystalline structure was obtained for all of the prepared samples. The crystal size is in the order of 7.3 to 8.9 nm for single nanocrystals. The absorption spectra of the samples show exciton absorption bands at 1395 nm and 1660 nm. This material could be used to develop more advanced structures for thermoelectric generators.

36 MATERIALS SCIENCE↗