Search NASA⌕ Search

SEARCH · Search NASA

Results for “atomic hydrogen”

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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Structure of ice VII with Hirshfeld atom refinement

In the refinement of the crystal structures of ice, the best results obtained so far have been with neutron diffraction because the most troublemaking aspects are the hydrogen atoms. In nine out of twenty ice structures, the hydrogen atoms are disordered, which makes proper refinement more difficult. In our previous paper describing the structure of ice VI we proved that, using Hirshfeld atom refinement (HAR) based on synchrotron X-ray data, it is possible to obtain results comparable with those from neutron experiments. In this work, we investigate another structure of high-pressure disordered ice, cubo-ice (ice VII). Single crystals of cubo-ice were grown under pressure in diamond anvil cells. X-ray diffraction measurements were conducted at a synchrotron source facility (APS, University of Chicago, USA) as well as on our regular in-house laboratory diffractometer with Ag radiation. The data collected were further refined with HAR. Comparison of the structural parameters obtained with those derived from neutron diffraction showed very good agreement in terms of bond lengths and fairly good agreement in terms of hydrogen atom ADPs. We were also able to perform unconstrained refinements with various split-atom models.

Chemistry↗
NASA NTRS1973

Characteristics of advanced hydrogen maser frequency standards

Measurements with several operational atomic hydrogen maser standards have been made which illustrate the fundamental characteristics of the maser as well as the analysability of the corrections which are made to relate the oscillation frequency to the free, unperturbed, hydrogen standard transition frequency. Sources of the most important perturbations, and the magnitude of the associated errors, are discussed. A variable volume storage bulb hydrogen maser is also illustrated which can provide on the order of 2 parts in 10 to the 14th power or better accuracy in evaluating the wall shift. Since the other basic error sources combined contribute no more than approximately 1 part in 10 to the 14th power uncertainty, the variable volume storage bulb hydrogen maser will have net intrinsic accuracy capability of the order of 2 parts in 10 to the 14th power or better. This is an order of magnitude less error than anticipated with cesium standards and is comparable to the basic limit expected for a free atom hydrogen beam resonance standard.

Peters, H. E.↗
NASA NTRS2022

Simulating the Diffusion of Hydrogen in Amorphous Silicates: A ‘Jumping’ Migration Process and its Implications for Solar Wind Implanted Lunar Volatiles

We use molecular dynamics (MD) simulations to better explain the movement of atomic hydrogen in amorphous silica and quantify the planetary science implications of these findings. Previous MD simulations had a large range of predicted values and did not agree well with experiment. Our simulations sample atomic motion for a longer duration and consider a wider range of temperatures than previous simulations. In contrast to constant atomic motion, the hydrogen atoms were shown to undergo random intermittent jumps from one oxygen atom to another, the number of which increase with temperature. Predicted diffusion coefficients had a better agreement to experimental values than previous MD simulations, suggesting the importance of longer simulation durations for better statistics. The low activation energy and jumps observed at lunar temperatures do not support the theory of diurnal variations in OH content for an undamaged amorphous silica surface. Instead, we conclude that energetic solar wind impacts can induce two competing atomic hydrogen motion processes in the exposed surface: A prompt effect that induces jumps in the temperature spike volume, but also a long term effect of damage in the structure that traps atomic hydrogen. We then use SDTrimSP to quantify the damage created during exposure and MD to demonstrate the H retention and trapping near these defects. Damage was shown to be dependent on impact energy, with defects easily retaining implanted hydrogen. MD results like those presented herein on unweathered surfaces are therefore most relevant to magnetic anomalies. As a result, we demonstrate the importance of lunar volatile models to account for the damage state of the substrate when modelling hydrogen diffusion, retention, and subsequent OH/water production.

Liam S. Morrissey↗
NASA NTRS1977

Upper limit for CH/plus/ toward Tau Scorpii

A Fabry-Perot interferometer was used to measure a 2-sigma upper limit of 0.39 mA for CH(plus) toward Tau Sco, a line of sight with a large amount of atomic hydrogen yet only a small amount of molecular hydrogen. The upper limit for the abundance of CH(plus) in a region where hydrogen is primarily atomic shows that no unexpectedly rapid CH(plus) formation processes are occurring and, conversely, that the CH(plus) destruction rate is not smaller than expected. It is argued that either CH(plus) is primarily formed in regions with large amounts of H2 or CH(plus) is formed at least as rapidly as the density-cubes in regions where hydrogen is mostly atomic.

Jura, M.↗
DOE OSTI2022

The Source Permeator System and Tritium Transport in the TEX PbLi Loop

In this work, permeation is investigated for the introduction of hydrogen isotopes into PbLi for the Tritium Extraction eXperiment (TEX). TEX is a forced-convection PbLi loop under construction at Idaho National Laboratory (INL) that will test the vacuum permeator (VP) method of tritium extraction from PbLi. The source permeator (SP) delivers atomic hydrogen (H, D, and T) from a gas-phase reservoir into the PbLi via a permeable dense metal membrane. A modular and a fixed source permeator system are presented. In the modular design, PbLi flows through the inside of a tubular membrane and gas-phase hydrogen is introduced on the outside of the membrane. Atomic hydrogen permeates radially inward through the membrane into the PbLi. In the fixed design, PbLi flows into an expansion chamber with closed-ended tubular membranes inserted. Gas-phase hydrogen is introduced on the inside of the closed-ended membranes and atomic hydrogen permeates radially outward into the flowing PbLi. Hydrogen-transport models based on steady-state mass transport through PbLi and permeation through the metal membrane were developed to assess the operation of the source permeator relative to experimental variables and to allow understanding of uncertain parameter effects, such as PbLi hydrogen-transport properties and the effective hydrogen permeability of the vacuum permeator. This modeling effort considers iron as the source permeator material and vanadium as the vacuum permeator material.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Photoenzymatic Asymmetric Hydroamination for Chiral Alkyl Amine Synthesis

Chiral alkyl amines are common structural motifs in pharmaceuticals, natural products, synthetic intermediates, and bioactive molecules. An attractive method to prepare these molecules is the asymmetric radical hydroamination; however, this approach has not been explored with dialkyl amine-derive nitrogen-centered radicals since designing a catalytic system to generate the aminium radical cation, to suppress deleterious side reactions such as α-deprotonation and H atom abstraction, and to facilitate enantioselective hydrogen atom transfer is a formidable task. Herein, we describe the application of photoenzymatic catalysis to generate and harness the aminium radical cation for asymmetric intermolecular hydroamination. In this reaction, the flavin-dependent ene-reductase photocatalytically generates the aminium radical cation from the corresponding hydroxylamine and catalyzes the asymmetric intermolecular hydroamination to furnish the enantioenriched tertiary amine, whereby enantioinduction occurs through enzyme-mediated hydrogen atom transfer. Furthermore, this work highlights the use of photoenzymatic catalysis to generate and control highly reactive radical intermediates for asymmetric synthesis, addressing a long-standing challenge in chemical synthesis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

Emission spectroscopy and laser-induced fluorescence measurements on the plume from a 1-kW arcjet operated on simulated ammonia

Spectroscopic and laser-induced fluorescence measurements were performed on the exhaust plume from a 1 kW NASA Lewis arcjet, operated on simulated ammonia. In particular, emissions were analyzed from the Balmer lines of atomic hydrogen and from one of the rotational bands of the NH radical. The laser-induced fluorescence measurements were performed on the Balmer-alpha line of atomic hydrogen. We find that exit plane temperatures are in the range 1500 to 3500 K and that the electron density upstream of the exit plane is on the order of 1.5 x 10(exp 14)/cu cm as determined by the Stark width of the Balmer-alpha line. Both emission spectroscopy and laser-induced fluorescence were used to measure the plume velocities of atomic hydrogen. Using either technique, velocities on the order of 4 km/sec were found at the exit plane and significant acceleration of the flow was observed in the first 2 mm beyond the exit plane. This result indicates that the design of the arcjet nozzle may not be optimum.

Ruyten, Wilhelmus M.↗
DOE OSTI2021

Demonstration of Advanced Experimental and Theoretical Characterization of Hydrogen Dynamics and Associated Behavior in Advanced Reactors

Advanced materials development, manufacturing, and modeling capabilities for innovative reactor designs support nuclear security and mission-focused science through enhanced technology for safer and more efficient and secure production of nuclear energy. The research in this project has established: 1) a state-of-the-art neutron-based hydrogen mapping and cross-section measurement capability as well as detailed crystallographic characterization of hydrogen atoms at LANSCE, and 2) a multi-physics framework for simulating behavior of moderator materials and other material performance in advanced nuclear reactors. Through the course of this project, we successfully developed and demonstrated measurement techniques for hydrogen distribution and atomistic-scale behavior of hydrogen atoms using pulsed neutron techniques. In parallel, advanced multi-physics simulation tools to predict the behavior of hydrogen atoms, e.g. in a moderator for a nuclear reactor, through materials performance, neutron transport, and thermal mechanical behavior were enhanced. Multi-discipline areas across the laboratory were involved in the project as the integration of improved experimental capabilities with enhanced modeling and simulation through MST, NEN, SIGMA, and XCP division subject matter experts.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Effect of Impurities on Radical Formation in Gibbsite Radiolysis

The generation and stabilization of gamma radiation-induced hydrogen atoms in gibbsite (Al(OH)3) nanoplates is directly related to the nature of residual ions from synthetic precursors used, whether nitrates or chlorides. The concentration of hydrogen atoms trapped in the interstitial layers of gibbsite is lower and decays faster in comparison to boehmite (AlOOH), which could affect the waste management of these materials.

Hlushko, Hannah↗
NASA NTRS1982

Photochemistry of NH3, CH4 and PH3 - Possible applications to the Jovian planets

It is found that the photolysis of NH4 at 185 nm in the presence of a two-fold excess of CH4 results in the loss of about 0.25 mole of CH4 per mole of NH3 decomposed. The loss is shown to arise from the abstraction of hydrogen atoms from CH4 by photolytically generated hot hydrogen atoms. It is concluded that NH3 photolysis in the H2-abundant atmosphere of Jupiter is not responsible for the presence of the carbon compounds observed there, such as ethane, acetylene, and hydrogen cyanide, but may have had a role in the early atmosphere of Titan. Also, it is found that the photolysis of PH3 with a 206 nm light source gives P2H4, which in turn is converted to a red-brown solid. The course of the photolysis is not changed appreciably when the temperature is lowered to 157 K except that the concentration of P2H4 increases, while the presence of H2 has no effect on the P2H4 yield. Photolysis of 9:1 NH3:PH3 is found to give a rate of decomposition of PH3 that is comparable with that observed by the direct photolysis of PH3 and comparable amounts of the red-brown solid and P2H4 are observed. In addition, the implications of these results for the structures of the compounds responsible for the wide array of colors observed in the atmosphere of Jupiter are examined.

Ferris, J. P.↗
NASA NTRS1987

Superthermal electron processes in the upper atmosphere of Uranus: Aurora and electroglow

Strong ultraviolet emissions from the upper atmosphere of Uranus suggest that both auroral and electroglow phenomena are of significant aeronomical consequences in the structure of the upper atmosphere. Combined modeling and data analysis were performed to determine the effect of electroglow and auroral phenomena on the global heat and atomic hydrogen budgets in the Uranus upper atmosphere. The results indicate that the auroral and electroglow heat sources are not adequate to explain the high exospheric temperature observed at Uranus, but that the atomic hydrogen supplied by these processes is more than sufficient to explain the observations. The various superthermal electron distributions modeled have significantly different efficiencies for the various processes such as UV emission, heating, ionization, and atomic hydrogen production, and produce quite different H2 band spectra. However, additional information on the UV spectra and global parameters is needed before modeling can be used to distinguish between the possible mechanisms for electroglow.

Waite, J. H., Jr.↗
NASA NTRS1988

Superthermal electron processes in the upper atmosphere of Uranus - Aurora and electroglow

Strong ultraviolet emissions from the upper atmosphere of Uranus suggest that both auroral and electroglow phenomena are of significant aeronomical consequences in the structure of the upper atmosphere. Combined modeling and data analysis were performed to determine the effect of electroglow and auroral phenomena on the global heat and atomic hydrogen budgets in the Uranus upper atmosphere. The results indicate that the auroral and electroglow heat sources are not adequate to explain the high exospheric temperature observed at Uranus, but that the atomic hydrogen supplied by these processes is more than sufficient to explain the observations. The various superthermal electron distributions modeled have significantly different efficiencies for the various processes such as UV emission, heating, ionization, and atomic hydrogen production, and produce quite different H2 band spectra. However, additional information on the UV spectra and global parameters is needed before modeling can be used to distinguish between the possible mechanisms for electroglow.

Waite, J. H., Jr.↗
NASA NTRS1981

Spectroscopic diagnostics of the formation of auroral arcs

The theory and mechanisms for spectroscopic observations of auroral arcs are examined. The emission rate ratios of various spectroscopic features are used to determine the average energy of the auroral particles, noting that only proton bombardment of the atmosphere can produce the observed emissions of atomic hydrogen, Balmer alpha, and Balmer beta. The atomic hydrogen particles can cause excitation, stripping, or ionization. Differences in subsequent electron observations due to the relative energy levels of the bombardment are described, and the use of the First Negative bands of molecular N ions and the ground configuration transition in singly atomic O for optical emission studies is outlined. The mean energy of the bombarding electron flux can be obtained and may be equalled under certain conditions by the proton flux. Finally, the characteristics of an ideal spectrometer for exploring auroral emissions are introduced.

Rees, M. H.↗
NASA NTRS1971

The formation of excited atoms during charge exchange between hydrogen ions and alkali atoms

The charge exchange cross sections for protons and various alkali atoms are calculated using the classical approximation of Gryzinski. It is assumed that the hydrogen atoms resulting from charge exchange exist in all possible excited states. Charge transfer collisions between protons and potassium as well as protons and sodium atoms are studied. The energy range investigated is between 4 and 30 keV. The theoretical calculations of the capture cross section and the cross section for the creation of metastable 2S hydrogen are compared to experimental values. Good quantitative agreement is found for the capture cross section but only qualitative agreement for the metastable cross section. Analysis of the Lyman alpha window in molecular oxygen suggests that measured values of the metastable cross section may be in error. Thick alkali target data are also presented. This allows the determination of the total electron loss cross section. Finally, some work was done with H2(+).

Nieman, R. A.↗
NASA NTRS1976

Crossed beam studies of ion-molecule reactions in methane and ammonia

A crossed-beam apparatus is used to measure the product ion velocity and angular distributions for the following ion-molecule reactions in the relative energy range from 2 to 9 eV: CH4(+) + NH3 yields NH4(+) + CH3; CH4(+) + NH3 yields CNH5(+) + H2; NH2(+) + CH4 yields CNH4(+) + H2 (or 2H); and CH3(+) + NH3 yields CNH4(+) + H2 (or 2H). These reactions are also studied by means of deuterium labeling as a further probe of the detailed reaction dynamics. Probability contour plots for the four reactions are constructed in Cartesian velocity space, and product peaks in the plots are discussed. Relative cross sections and Q values are computed for two of the reactions as well as for the corresponding deuterium-labelled reactions. The results show that the present ion-neutral condensation reactions are highly exothermic with a deep well for the internal complex, that little hydrogen scrambling occurs, and that the energy of the reactions is released mainly as internal energy, even to the extent of producing two hydrogen atoms in some cases rather than one hydrogen atom or molecule.

Smith, G. P. K.↗
NASA NTRS1995

Photodissociation of cyanoacetylene: Application to the atmospheric chemistry of Titan

The quantum yield and reaction threshold for the photochemical dissociation of cyanoacetylene into a hydrogen atom and the cyanoethynyl radical have been determined. The quantum yield at 185 nm is approximately 0.09. The threshold is approximately 240 nm. Combination of this data with literature values shows that production of excited-state cyanoacetylene is the major primary process resulting from irradiation between 185 and 254 nm. Also determined are the relative rate constants for the abstraction of a hydrogen atom from hydrogen, methane, and ethane by the cyanoethynyl radical (k(H2):k(CH4):k(C2H6) = 1:9.3:63). Implications of these results for the proposal that hydrogen abstraction plays an important role in the conversion of methane to ethane and in the protection of unsaturated compounds from photoconsumption in the atmosphere of Titan are discussed.

Clarke, David W.↗
NASA NTRS1995

Effects of Surface Treatments on Secondary Electron Emission from CVD Diamond Films

Secondary electron emission (SEE) properties of polycrystalline diamond films grown by chemical vapor deposition (CVD) were measured. The total secondary yield (sigma) from as-grown samples was observed to be as high as 20 at room temperature and 48 while heating at 700 K in vacuum. Electron-beam-activated, alkali-terminated diamond films have shown stable values of sigma as high as 60 when coated with CsI and similarly high values when coated with other alkali halides. Diamond coated with BaF2 had a stable sigma of 6, but no enhancement of the SEE properties was observed with coatings of Ti or Au. Hydrogen was identified to give rise to this effect in as-grown films. However, electron beam exposure led to a reduction in sigma values as low as 2. Exposure to a molecular hydrogen environment restored sigma to its original value after degradation, and enabled stable secondary emission during electron beam exposure. Atomic hydrogen and hydrogen plasma treatments were performed on diamond/Mo samples in an attempt to increase the near-surface hydrogen concentration which might lead to increased stability in the secondary emission. Raman scattering analysis, scanning electron microscopy, and Auger electron spectroscopy (AES) confirmed that hydrogen plasma and atomic hydrogen treatments improved the quality of the CVD diamond significantly. Elastic recoil detection (ERD) showed that heating as-grown diamond targets to 7OO K, which was correlated with an increase in sigma, removed contaminants from the surface but did not drive hydrogen from the diamond bulk. ERD showed that the hydrogen plasma treatment produced an increase in the hydrogen concentration in the near-surface region which did not decrease while heating in vacuum at 700 K, but no improvement in the SEE properties was observed.

Mearini, G. T.↗