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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Post-flight analyses of the crystals from the M0003-14 quartz crystal microbalance experiment

Quartz Crystal Microbalances constructed by QCM Research were flown on the leading and trailing edges of LDEF as one of the sub-experiments of M0003. Response of the crystals coated with 150 A of In2O3 was recorded during the first 424 days of the mission. A second QCM with crystals coated with 150 A of ZnS was also flown but not monitored. After the flight, the QCM's were disassembled and analyzed in The Aerospace Corporation laboratories. The samples included the crystals from the leading and trailing edge samples of both types of coatings along with the reference crystals, which were inside the QCM housing. Analyses were performed by scanning electron microscopy, energy dispersive x-ray analyses, x-ray photoelectron spectroscopy, ion microprobe mass analysis, and reflectance spectroscopy in the infrared and UV/visible regions. The crystals are contaminated predominantly with silicone compounds. The contamination is higher on the leading edge than on the trailing edge and higher on the exposed crystals than on the reference crystals.

Stuckey, W. K.↗
DOE OSTI2021

Effect of chlorine and chromium on sulfur solubility in low-activity waste glass

According to an empirical sulfur solubility model developed from over 200 simulated low-activity waste (LAW) glasses, chlorine and chromium show strong effects on lowering sulfur solubility in glass. This work was aimed at understanding the mechanism behind the negative effect of chlorine and chromium on sulfur solubility. A simplified LAW glass was prepared and saturated by sodium sulfate, sodium chloride, and sodium chromate salts as single components and as mixtures with different ratios at 25 mol%, 50 mol%, and 75 mol% of sulfate mixed with chloride or chromate. A crucible-scale salt-saturation was performed by mixing the crushed glass powder with an excess amount of salts, melting at 1150 °C for one hour, and quenching. Three mixing-melting-quenching cycles were applied to determine saturation concentrations of sulfur, chromium, and chlorine incorporated into the simplified LAW glass. The glass compositions were analyzed by inductively coupled plasma–atomic emission spectroscopy, ion chromatography, and X-ray emission spectroscopy. It is proposed that the negative effect of chlorine and chromium on sulfur solubility can be explained based on the simple hypothesis that sulfur, chlorine, and chromium are present in the glass as anions competing for the voids or interstitial sites of the glass matrix, and that their solubility strongly depends on the effective size of corresponding anions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1976

Photoionization and ion cyclotron resonance studies of the ion chemistry of ethylene oxide

The formation of the ethylene oxide molecular ion and its subsequent ion-molecule reactions leading to the products C2H5O(+) and C3H5O(+) have been studied using time-resolved photoionization mass spectroscopy, ion cyclotron resonance spectroscopy, and photoelectron spectroscopy. An examination of the effects of internal energy on reactivity shows that the ratio of C3H5O(+) to C2H5O(+) increases by an order of magnitude with a single quantum of vibrational energy. The formation of (C2H4O/+/)-asterisk in a collision-induced isomerization is found which yields a ring-opened structure by C-C bond cleavage. The relaxed ring-opened C2H4O(+) ion reacts with neutral ethylene oxide by CH2(+) transfer to yield an intermediate product ion C3H6O(+) which gives C3H5O(+) by loss of H.

Corderman, R. R.↗
NASA NTRS1981

Integrated material-surface analyzer

These 10 surface-analysis tests can be run without breaking vacuum: secondary-ion mass spectroscopy, ion-scattering spectroscopy, electron-stimulated desorption, residual-gas analysis, auger electron spectroscopy, x-ray photoelectron spectroscopy, ultraviolet photoelectron spectroscopy, characteristic-electron energy-loss spectroscopy, scanning electron microscope, scanning low-energy electron probe. Quadruple mass spectrometer, used in first 4 tests, serves as electron transfer lens in last 6 tests.

Grunthaner, F. J.↗
DOE OSTI2021

Development of the materials analysis and particle probe for Proto-MPEX

The Prototype Material Plasma Exposure eXperiment (Proto-MPEX) is a linear plasma device being used in plasma source research and development (R&D) for the proposed MPEX. Once the R&D is completed, this device can also be used to perform plasma–material interaction studies. To perform these studies, a new materials analysis and particle probe (MAPP) has been constructed. The MAPP’s components are a sample holder and manipulator and a custom vacuum chamber with ports to facilitate surface chemistry diagnostics. The MAPP’s overall design enables rapid sample turnaround and in vacuo surface characterization. The surface analysis vacuum chamber has ports for x-ray photoelectron spectroscopy, thermal desorption spectroscopy, back-scatter ion scattering spectroscopy, forward-scatter ion scattering spectroscopy, and direct recoil spectroscopy. The sample manipulator and holder is a Lesker/UHV Multi-Centre Analytical Stage, which is used to place the samples in the exposure region of the Proto-MPEX or the analysis position in the MAPP vacuum chamber. The sample holder has a heating capability of up to 1200 °C for heated exposure and for desorption studies. In this work, we present the MAPP’s design and the first tungsten sample exposure with ex situ analysis that shows a surface deposition layer on the exposed target, highlighting the need for additional in situ measurements on the Proto-MPEX.

Beers, C. J. (ORCID:0000000150985459)↗
DOE OSTI2023

Porous Salts as Platforms for Heterogeneous Catalysis

In this study, the preparation of a new class of reactive porous solids, prepared via straightforward salt metathesis reactions, is described here. Reaction of the dimethylammonium salt of a magnesium-based porous coordination cage with the chloride salt of [Cr II Cl(Me 4 cyclam)] + affords a porous solid with concomitant removal of dimethylammonium chloride. The salt consists of the ions combined in the expected ratio based on their charge as confirmed by UV–vis and X-ray photoelectron spectroscopies, ion chromatography (IC), and inductively coupled plasma mass spectrometry (ICP-MS). The porous salt boasts a Brunauer-Emmett-Teller (BET) surface area of 213 m 2 g -1 . Single crystal X-ray diffraction reveals the chromium(II) cations in the structure reside in the interstitial space between porous cages. Importantly, the chromium(II) centers, previously shown to react with O 2 to afford reactive chromium(III)-superoxide adducts, are still accessible in the solid state as confirmed by UV–vis spectroscopy. The site-isolated reactive centers have competence toward hydrogen atom abstraction chemistry and display significantly increased stability and reactivity as compared to dissolved ions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2000

Dusty Plasma Experiments Using an Electrodynamic Balance

Knowledge of the formation, distribution, physical, chemical and optical characteristics of interstellar, interplanetary, and planetary dust grains provide valuable information about many issues dealing with the origin and formation of the solar system bodies, interplanetary and interstellar environments as well as various industrial processes. Understanding the microphysics of individual grains and their interaction with the surrounding environment is key to properly model various conditions and interpret existing data. The theory and models of individual dust grains are well developed for environments that vary from dense planetary atmospheres to dusty plasmas to diffuse environments such is interplanetary space. However, experimental investigations of individual dust grains in equilibrium are less common, perhaps due to the difficult of these experiments. Laboratory measurements of dust grains have primarily measured ensemble properties or transient properties of single grains. A technique developed in the 1950's for ion spectroscopy, known as a quadrupole trap or 'Paul Trap', has recently been used to investigate single micron-sized dust grains. This scaled ion trap called an electrodynamic balance has been used for atmospheric aerosol research. A description of this technique is provided. Recent results from experiments to investigate the equilibrium potential of dust grains exposed to far ultraviolet light or to -,in electron or ion beam are presented. This laboratory technique ]ends itself to many applications that relate to planetary atmospheres, heliospheric environments, pre-stellar and pre-planetary conditions, and industrial settings. Several planned experimental approaches are presented. Potential experiments to investigate the interaction of multiple dust grains using an electrodynamic balance are proposed.

Spann, J. F.↗
DOE OSTI2024

Perturbed Ion Temperature and Toroidal Flow Profile Measurements in Rotating Neoclassical Tearing Mode Magnetic Islands

The perturbed ion temperature and toroidal flow were measured in rotating Neoclassical Tearing Modes (NTM) in a tokamak for the first time. These toroidally and radially resolved profiles were obtained by impurity ion spectroscopy in a 2,1 NTM in DIII-D. In agreement with drift-kinetic simulations, the electron temperature profile is flat, while the ion temperature gradient is restored across the magnetic island O-point in the presence of fast ions; the perturbed flow has minima in the O-points and maxima at the X-points. Furthermore, these measurements provide the first confirmation of the theoretically expected ion temperature and flow response to a magnetic island needed to predict the NTM on set threshold scaling for ITER and other future tokamaks.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Multiple-core-hole resonance spectroscopy with ultraintense X-ray pulses

Understanding the interaction of intense, femtosecond X-ray pulses with heavy atoms is crucial for gaining insights into the structure and dynamics of matter. One key aspect of nonlinear light–matter interaction was, so far, not studied systematically at free-electron lasers—its dependence on the photon energy. Here, we use resonant ion spectroscopy to map out the transient electronic structures occurring during the complex charge-up pathways of xenon. Massively hollow atoms featuring up to six simultaneous core holes determine the spectra at specific photon energies and charge states. We also illustrate how different X-ray pulse parameters, which are usually intertwined, can be partially disentangled. The extraction of resonance spectra is facilitated by the possibility of working with a constant number of photons per X-ray pulse at all photon energies and the fact that the ion yields become independent of the peak fluence beyond a saturation point. Our study lays the groundwork for spectroscopic investigations of transient atomic species in exotic, multiple-core-hole states that have not been explored previously.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1973

A new ion and electron detector for ion cyclotron resonance spectroscopy.

A new detector using an extremelly driven tuned circuit has been developed for use in ion cyclotron resonance spectroscopy experiments. Based on the Q-meter circuit, this detector will operate at frequencies greater than 1 MHz at rf levels less than 1 mV. Operation in the frequency range 1-15 MHz allows the use of higher magnetic fields for more efficient storage of low mass ions in the trapping mode of operation. In the frequency range 2-6 MHz electrons can be detected in the ion cyclotron resonance cell by their resonant motion in the trapping plane.

Huntress, W. T., Jr.↗
NASA NTRS1972

Use of LEED, Auger emission spectroscopy and field ion microscopy in microstructural studies

Surface research tools such as LEED, Auger emission spectroscopy analysis, and field ion microscopy are discussed. Examples of their use in studying adhesion, friction, wear, and lubrication presented. These tools have provided considerable insight into the basic nature of solid surface interactions. The transfer of metals from one surface to another at the atomic level has been observed and studied with each of these devices. The field ion microscope has been used to study polymer-metal interactions and Auger analysis to study the mechanism of polymer adhesion to metals. LEED and Auger analysis have identified surface segregation of alloying elements and indicated the influence of these elements in metallic adhesion. LEED and Auger analysis have assisted in adsorption studies in determining the structural arrangement and quantity of adsorbed species present in making an understanding of the influence of these species on adhesion possible. These devices are assisting in the furtherance of understanding of the fundamental mechanism involved in the adhesion, friction, wear, and lubrication processes.

Ferrante, J.↗
DOE OSTI2021

Quantum Chemistry Calculations for Metabolomics

A primary goal of metabolomics and exposomics studies is to fully characterize the small molecule composition of complex biological and environmental samples. However, despite advances in analytical technologies over the past two decades, the majority of small molecules in complex samples are not readily identifiable due to the immense structural and chemical diversi-ty present within the metabolome and exposome. Current gold-standard identification methods rely on reference libraries built using authentic chemical materials (“standards”), which are not available for most molecules. Computational quantum chemis-try methods, which can be used to calculate chemical properties that are then measured by analytical platforms, offer an alter-native route for building reference libraries, i.e., in silico libraries for “standards-free” identification. In this review, we cover the major roadblocks currently facing metabolomics and discuss applications where quantum chemistry calculations offer a solu-tion. Several successful examples for nuclear magnetic resonance spectroscopy, ion mobility spectrometry, infrared spectros-copy, and mass spectrometry methods are reviewed. Finally, we consider current best practices, sources of error, and provide an outlook for quantum chemistry calculations in metabolomics and exposomics studies. We expect this review will inspire researchers in the field of small molecule identification to accelerate adoption of in silico methods for generation of reference libraries and to add quantum chemistry calculations as another tool at their disposal to characterize complex samples.

Metabolism↗
DOE OSTI2024

Intramolecular Polarization Contributions to the pKa’s of Carboxylic Acids Through the Chain Length Dependence of Vibrational Tag-Shifts in Cryogenically Cooled Pyridinium-(CH2)n-COOH (n = 1-7) Cations

The pKa’s of acids are known to depend on the ionic strength of an electrolyte solution, an effect that qualitatively results from electrostatic interactions of the acid and conjugate base with proximal ions. Here we explore an intramolecular variation on this theme in which a carboxylic acid group is tethered to a pyridinium cationic charge center with increasingly long alkyl linkages in the series Py+-(CH2)n-COOH, with n = 1-7. The effective acidities of the carboxylic acid group in the isolated cations are determined by recording the red-shifts in the frequencies of the acid OH stretches upon attachment to D2 and N2 molecules, measured by using cryogenic ion spectroscopy. The short chains indeed lead to substantial increases in acidity, with the effect falling off in the range of n = 4-5. The response of the CO stretch on the acid head group is surprisingly strong and, in contrast to the expected red shift of the OH, displays a blue shift as the chain length is reduced. Electronic structure calculations recover these trends and indicate that the proximal cationic charge center acts to draw electron density away from the acid C=O bond. This acts to blue shift the CO stretch while weakening the C-C bond that attaches the head group to the chain.

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

Enhancing Low-Temperature Syngas Production via Surface Tailoring of Supported Intermetallic Nanocatalysts

An active and coke-resistant silica-encapsulated intermetallic Ni 3 Zn nanoparticle catalyst was developed for low-temperature (450 °C) dry reforming of methane (DRM). The catalyst exhibited a remarkable 4-fold increase in activity (4.5 s –1 ) with over 99% CO selectivity and 3 orders of magnitude less carbonaceous species and demonstrated remarkable stability (70 h) compared to that of a monometallic Ni catalyst. Here, the key is the combined effect of surface ensemble structure and electronic interaction modulation through the surface composition tailoring achieved by off-stoichiometric Ni and Zn loading in controlling surface chemistry for achieving different activities and H 2 /CO ratios. Characterized by ion spectroscopy, X-ray photoelectron spectroscopy, and the neutron pair distribution function, it was revealed that paired Ni δ – –Zn δ+ active sites are crucial for DRM. Transient infrared spectroscopy and isotopic analysis uncovered the synergistic effect of Ni δ – –Zn δ+ sites in activating C–H bonds and dissociating CO 2 to prevent coke formation under low-temperature conditions.

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

Low-loss superconducting titanium nitride grown using plasma-assisted molecular beam epitaxy

Titanium nitride (TiN) is a known superconducting material that is attractive for use as passive components in superconducting circuits for both conventional and quantum information devices. In contrast to conventional synthesis techniques, here, plasma-assisted molecular beam epitaxy is reported to produce high-quality TiN on bare silicon wafers. Using a rf-plasma source to crack the nitrogen molecules and a conventional high-temperature effusion cell for titanium, TiN growth is completed under nitrogen-rich conditions. The growth and nucleation is monitored in situ, while the structure and composition are characterized using x-ray diffraction, atomic force microscopy, x-ray photoelectron spectroscopy, secondary ion mass spectroscopy, and scanning transmission electron microscopy. The stoichiometric TiN (111) films sit on an amorphous nitride layer with low impurity concentrations. The films superconduct with Tc=5.4 K, and coplanar waveguide resonators are fabricated with a small center width of 6 μm that demonstrate single-photon quality factors approaching 1M and high-power quality factors over 5M without observing saturation.

Richardson, C. J. K. (ORCID:0000000188175347)↗
DOE OSTI2024

Distinguishing the XUV-induced Coulomb explosion dynamics of iodobenzene using covariance analysis

The primary and secondary fragmentation dynamics of iodobenzene following its ionization at 120 eV were determined using three-dimensional velocity map imaging and covariance analysis. Site-selective iodine 4d ionization was used to populate a range of excited polycationic parent states, which primarily broke apart at the carbon-iodine bond to produce I+ with phenyl or phenyl-like cations (C n H x + or C n H, with n = 1 – 6 and x = 1 – 5). The molecular products were produced with varying degrees of internal excitation and dehydrogenation, leading to stable and unstable outcomes. This further allowed the secondary dynamics of C 6 H x 2+ intermediates to be distinguished using native-frame covariance analysis, which isolated these processes in their own centre-of-mass reference frames. Furthermore, the mass resolution of the imaging mass spectrometer used for these measurements enabled the primary and secondary reaction channels to be specified at the level of individual hydrogen atoms, demonstrating the ability of covariance analysis to comprehensively measure the competing fragmentation channels of aryl cations, including those involving intermediate steps.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS2000

Electrodynamic Balance for Studies of Cosmic Dust Particles

Knowledge of the formation and distribution of interstellar, interplanetary, and planetary dust grains, and their physical, chemical and optical characteristics provide valuable information about many issues dealing with the origin and formation of the solar system bodies, interplanetary and interstellar environments as well as various industrial processes. Understanding the microphysics of individual grains and their interaction with the surrounding, environment is key to properly model various conditions and interpret existing data. The theory and models of individual dust grains are well developed for environments that vary from dense planetary atmospheres to dusty plasmas to diffuse environments such as interplanetary space. However, experimental investigations of individual dust grains in equilibrium are less common, perhaps due to the difficulty of these experiments. Laboratory measurements of dust grains have primarily measured ensemble properties or transient properties of single grains. A technique developed in the 1950's for ion spectroscopy, generally referred to as a quadrupole trap has recently been employed as an electrodynamic balance to investigate single micron-sized dust grains and for atmospheric aerosol research. A description of the theoretical basis and the experimental setup of the electrodynamic balance being developed in our laboratory are given. This laboratory technique lends itself to many applications that relate to planetary atmospheres, heliospheric environments, pre-stellar and pre-planetary conditions, and industrial settings. We present results from some recent experiments carried out to investigate the equilibrium potential of dust grains exposed to far ultraviolet light or to an electron beam. Some future experiments using an electrodynamic balance to investigate the optical characteristics, and condensation process involving dust grains in various astrophysical environments are discussed.

Spann, J. F.↗