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Sample records for interstellar hydrogen atom

  1. Changes in the morphology of interstellar ice analogues after hydrogen atom exposure.

    PubMed

    Accolla, Mario; Congiu, Emanuele; Dulieu, François; Manicò, Giulio; Chaabouni, Henda; Matar, Elie; Mokrane, Hakima; Lemaire, Jean Louis; Pirronello, Valerio

    2011-05-01

    The morphology of water ice in the interstellar medium is still an open question. Although accretion of gaseous water could not be the only possible origin of the observed icy mantles covering dust grains in cold molecular clouds, it is well known that water accreted from the gas phase on surfaces kept at 10 K forms ice films that exhibit a very high porosity. It is also known that in the dark clouds H(2) formation occurs on the icy surface of dust grains and that part of the energy (4.48 eV) released when adsorbed atoms react to form H(2) is deposited in the ice. The experimental study described in the present work focuses on how relevant changes of the ice morphology result from atomic hydrogen exposure and subsequent recombination. Using the temperature-programmed desorption (TPD) technique and a method of inversion analysis of TPD spectra, we show that there is an exponential decrease in the porosity of the amorphous water ice sample following D-atom irradiation. This decrease is inversely proportional to the thickness of the ice and has a value of ϕ(0) = 2 × 10(16) D-atoms cm(-2) per layer of H(2)O. We also use a model which confirms that the binding sites on the porous ice are destroyed regardless of their energy depth, and that the reduction of the porosity corresponds in fact to a reduction of the effective area. This reduction appears to be compatible with the fraction of D(2) formation energy transferred to the porous ice network. Under interstellar conditions, this effect is likely to be efficient and, together with other compaction processes, provides a good argument to believe that interstellar ice is amorphous and non-porous.

  2. Discovery of Interstellar Hydrogen Fluoride

    NASA Technical Reports Server (NTRS)

    Neufeld, David A.; Zmuidzinas, Jonas; Schilke, Peter; Phillips, Thomas G.

    1997-01-01

    We report the first detection of interstellar hydrogen fluoride. Using the Long Wavelength Spectrometer of the Infrared Space Observatory (ISO), we have detected the 121.6973 micron J = 2-1 line of HF in absorption toward the far-infrared continuum source Sagittarius B2. The detection is statistically significant at the 13 sigma level. On the basis of our model for the excitation of HF in Sgr B2, the observed line equivalent width of 1.0 nm implies a hydrogen fluoride abundance of approximately 3 x 10(exp -10) relative to H2. If the elemental abundance of fluorine in Sgr B2 is the same as that in the solar system, then HF accounts for approximately 2% of the total number of fluorine nuclei. We expect hydrogen fluoride to be the dominant reservoir of gas-phase fluorine in Sgr B2, because it is formed rapidly in exothermic reactions of atomic fluorine with either water or molecular hydrogen; thus, the measured HF abundance suggests a substantial depletion of fluorine onto dust grains. Similar conclusions regarding depletion have previously been reached for the case of chlorine in dense interstellar clouds. We also find evidence at a lower level of statistical significance (approximately 5 sigma) for an emission feature at the expected position of the 4(sub 32)-4(sub 23) 121.7219 micron line of water. The emission-line equivalent width of 0.5 nm for the water feature is consistent with the water abundance of 5 x 10(exp -6) relative to H2 that has been inferred previously from observations of the hot core of Sgr B2.

  3. Discovery of Interstellar Hydrogen Fluoride

    NASA Technical Reports Server (NTRS)

    Neufeld, David A.; Zmuidzinas, Jonas; Schilke, Peter; Phillips, Thomas G.

    1997-01-01

    We report the first detection of interstellar hydrogen fluoride. Using the Long Wavelength Spectrometer of the Infrared Space Observatory (ISO), we have detected the 121.6973 micron J = 2-1 line of HF in absorption toward the far-infrared continuum source Sagittarius B2. The detection is statistically significant at the 13 sigma level. On the basis of our model for the excitation of HF in Sgr B2, the observed line equivalent width of 1.0 nm implies a hydrogen fluoride abundance of about 3 x 10 (exp -10) relative to H, If the elemental abundance of fluorine in Sgr B2 is the same as that in the solar system, then HF accounts for about 2% of the total number of fluorine nuclei. We expect hydrogen fluoride to be the dominant reservoir of gas-phase fluorine in Sgr B2, because it is formed rapidly in exothermic reactions of atomic fluorine with either water or molecular hydrogen; thus, the measured HF abundance suggests a substantial depletion of fluorine onto dust grains. Similar conclusions regarding depletion have previously been reached for the case of chlorine in dense interstellar clouds. We also find evidence at a lower level of statistical significance (about 5 sigma) for an emission feature at the expected position of the 4(sub 32)-4(sub 23) 121.7219 micron line of water. The emission-line equivalent width of 0.5 mm for the water feature is consistent with the water abundance of 5 x 10(exp -6) relative to H, that has been inferred previously from observations of the hot core of Sgr B2.

  4. The hydrogen coverage of interstellar PAHs

    NASA Technical Reports Server (NTRS)

    Barker, J. R.; Cohen, M.; Tielens, Alexander G. G. M.; Allamandola, Louis J.; Barker, J. R.; Barker, J. R.

    1986-01-01

    The rate at which the CH bond in interstellar Polycyclic Aromatic Hydrocarbons (PAHs) rupture due to the absorption of a UV photon has been calculated. The results show that small PAHs (less than or equal to 25 carbon atoms) are expected to be partially dehydrogenated in regions with intense UV fields, while large PAHs (greater than or equal to 25 atoms) are expected to be completely hydrogenated in those regions. Because estimate of the carbon content of interstellar PAHs lie in the range of 20 to 25 carbon atoms, dehydrogenation is probably not very important. Because of the absence of other emission features besides the 11.3 micrometer feature in ground-based 8 to 13 micrometer spectra, it has been suggested that interstellar PAHs are partially dehydrogenated. However, IRAS 8 to 22 micrometer spectra of most sources that show strong 7.7 and 11.2 micrometer emission features also show a plateau of emission extending from about 11.3 to 14 micrometer. Like the 11.3 micrometer feature, this new feature is attributed to the CH out of plane bending mode in PAHs. This new feature shows that interstellar PAHs are not as dehydrogenated as estimated from ground-based 8 to 13 micrometer spectra. It also constrains the molecular structure of interstellar PAHs. In particular, it seems that very condensed PAHs, such as coronene and circumcoronene, dominate the interstellar PAH mixture as expected from stability arguments.

  5. The hydrogen coverage of interstellar PAHs

    NASA Technical Reports Server (NTRS)

    Tielens, A. G. G. M.; Allamandola, L. J.; Barker, J. R.; Cohen, M.

    1987-01-01

    The rate at which the CH bond in interstellar Polycyclic Aromatic Hydrocarbons (PAHs) rupture due to the absorption of a UV photon has been calculated. The results show that small PAHs (less than or equal to 25 carbon atoms) are expected to be partially dehydrogenated in regions with intense UV fields, while large PAHs (greater than or equal to 25 atoms) are expected to be completely hydrogenated in those regions. Because estimate of the carbon content of interstellar PAHs lie in the range of 20 to 25 carbon atoms, dehydrogenation is probably not very important. Because of the absence of other emission features besides the 11.3 micrometer feature in ground-based 8 to 13 micrometer spectra, it has been suggested that interstellar PAHs are partially dehydrogenated. However, IRAS 8 to 22 micrometer spectra of most sources that show strong 7.7 and 11.2 micrometer emission features also show a plateau of emission extending from about 11.3 to 14 micrometer. Like the 11.3 micrometer feature, this new feature is attributed to the CH out of plane bending mode in PAHs. This new feature shows that interstellar PAHs are not as dehydrogenated as estimated from ground-based 8 to 13 micrometer spectra. It also constrains the molecular structure of interstellar PAHs. In particular, it seems that very condensed PAHs, such as coronene and circumcoronene, dominate the interstellar PAH mixture as expected from stability arguments.

  6. Low-temperature surface formation of NH3 and HNCO: hydrogenation of nitrogen atoms in CO-rich interstellar ice analogues

    NASA Astrophysics Data System (ADS)

    Fedoseev, G.; Ioppolo, S.; Zhao, D.; Lamberts, T.; Linnartz, H.

    2015-01-01

    Solid-state astrochemical reaction pathways have the potential to link the formation of small nitrogen-bearing species, like NH3 and HNCO, and prebiotic molecules, specifically amino acids. To date, the chemical origin of such small nitrogen-containing species is still not well understood, despite the fact that ammonia is an abundant constituent of interstellar ices towards young stellar objects and quiescent molecular clouds. This is mainly because of the lack of dedicated laboratory studies. The aim of this work is to experimentally investigate the formation routes of NH3 and HNCO through non-energetic surface reactions in interstellar ice analogues under fully controlled laboratory conditions and at astrochemically relevant temperatures. This study focuses on the formation of NH3 and HNCO in CO-rich (non-polar) interstellar ices that simulate the CO freeze-out stage in dark interstellar cloud regions, well before thermal and energetic processing start to become relevant. We demonstrate and discuss the surface formation of solid HNCO through the interaction of CO molecules with NH radicals - one of the intermediates in the formation of solid NH3 upon sequential hydrogenation of N atoms. The importance of HNCO for astrobiology is discussed.

  7. SOLAR RADIATION PRESSURE AND LOCAL INTERSTELLAR MEDIUM FLOW PARAMETERS FROM INTERSTELLAR BOUNDARY EXPLORER LOW ENERGY HYDROGEN MEASUREMENTS

    SciTech Connect

    Schwadron, N. A.; Moebius, E.; Kucharek, H.; Lee, M. A.; French, J.; Saul, L.; Wurz, P.; Bzowski, M.; Fuselier, S. A.; Livadiotis, G.; McComas, D. J.; Frisch, P.; Gruntman, M.; Mueller, H. R.

    2013-10-01

    Neutral hydrogen atoms that travel into the heliosphere from the local interstellar medium (LISM) experience strong effects due to charge exchange and radiation pressure from resonant absorption and re-emission of Lyα. The radiation pressure roughly compensates for the solar gravity. As a result, interstellar hydrogen atoms move along trajectories that are quite different than those of heavier interstellar species such as helium and oxygen, which experience relatively weak radiation pressure. Charge exchange leads to the loss of primary neutrals from the LISM and the addition of new secondary neutrals from the heliosheath. IBEX observations show clear effects of radiation pressure in a large longitudinal shift in the peak of interstellar hydrogen compared with that of interstellar helium. Here, we compare results from the Lee et al. interstellar neutral model with IBEX-Lo hydrogen observations to describe the distribution of hydrogen near 1 AU and provide new estimates of the solar radiation pressure. We find over the period analyzed from 2009 to 2011 that radiation pressure divided by the gravitational force (μ) has increased slightly from μ = 0.94 ± 0.04 in 2009 to μ = 1.01 ± 0.05 in 2011. We have also derived the speed, temperature, source longitude, and latitude of the neutral H atoms and find that these parameters are roughly consistent with those of interstellar He, particularly when considering the filtration effects that act on H in the outer heliosheath. Thus, our analysis shows that over the period from 2009 to 2011, we observe signatures of neutral H consistent with the primary distribution of atoms from the LISM and a radiation pressure that increases in the early rise of solar activity.

  8. Electron-impact ionization of interstellar hydrogen and helium at interplanetary shocks

    SciTech Connect

    Isenberg, P.A.; Feldman, W.C.

    1995-04-15

    The authors investigate the ionization of interstellar hydrogen and helium due to electron impact by shock-heated electrons. Taking the electron distributions measured at four interplanetary shocks at 1 AU, they show that the electrons in the downstream region of strong shocks can ionize interstellar atoms at rates matching or exceeding the nominal photoionization or charge-exchange rates. They suggest that this process may explain some puzzling observations of interstellar pickup ions made by the Ulysses spacecraft. 17 refs.

  9. Excitation of interstellar hydrogen chloride

    NASA Technical Reports Server (NTRS)

    Neufild, David A.; Green, Sheldon

    1994-01-01

    We have computed new rate coefficients for the collisional excitation of HCl by He, in the close-coupled formalism and using an interaction potential determined recently by Willey, Choong, & DeLucia. Results have been obtained for temperatures between 10 K and 300 K. With the use of the infinite order sudden approximation, we have derived approximate expressions of general applicability which may be used to estimate how the rate constant for a transition (J to J prime) is apportioned among the various hyperfine states F prime of the final state J prime. Using these new rate coefficients, we have obtained predictions for the HCl rotational line strengths expected from a dense clump of interstellar gas, as a function of the HCl fractional abundance. Over a wide range of HCl abundances, we have found that the line luminosities are proportional to abundance(exp 2/3), a general result which can be explained using a simple analytical approximation. Our model for the excitation of HCl within a dense molecular cloud core indicates that the J = 1 goes to 0 line strengths measured by Blake, Keene, & Phillips toward the Orion Molecular Cloud (OMC-1) imply a fractional abundance n(HCl)/n(H2) approximately 2 x 10(exp -9), a value which amounts to only approximately 0.3% of the cosmic abundance of chlorine nuclei. Given a fractional abundance of 2 x 10(exp -9), the contribution of HCl emission to the total radiative cooling of a dense clump is small. For Orion, we predict a flux approximately 10(exp -19) W/sq cm for the HCl J = 3 goes to 2 line near 159.8 micrometers, suggesting that the strength of this line could be measured using the Infrared Space Observatory.

  10. Atomic hydrogen rocket engine

    NASA Technical Reports Server (NTRS)

    Etters, R. D.; Flurchick, K.

    1981-01-01

    A rocket using atomic hydrogen propellant is discussed. An essential feature of the proposed engine is that the atomic hydrogen fuel is used as it is produced, thus eliminating the necessity of storage. The atomic hydrogen flows into a combustion chamber and recombines, producing high velocity molecular hydrogen which flows out an exhaust port. Standard thermodynamics, kinetic theory and wall recombination cross-sections are used to predict a thrust of approximately 1.4 N for a RF hydrogen flow rate of 4 x 10 to the 22nd/sec. Specific impulses are nominally from 1000 to 2000 sec. It is predicted that thrusts on the order of one Newton and specific impulses of up to 2200 sec are attainable with nominal RF discharge fluxes on the order of 10 to the 22nd atoms/sec; further refinements will probably not alter these predictions by more than a factor of two.

  11. Model calculations for diffuse molecular clouds. [interstellar hydrogen cloud model

    NASA Technical Reports Server (NTRS)

    Glassgold, A. E.; Langer, W. D.

    1974-01-01

    A steady state isobaric cloud model is developed. The pressure, thermal, electrical, and chemical balance equations are solved simultaneously with a simple one dimensional approximation to the equation of radiative transfer appropriate to diffuse clouds. Cooling is mainly by CII fine structure transitions, and a variety of heating mechanisms are considered. Particular attention is given to the abundance variation of H2. Inhomogeneous density distributions are obtained because of the attenuation of the interstellar UV field and the conversion from atomic to molecular hyrodgen. The effects of changing the model parameters are described and the applicability of the model to OAO-3 observations is discussed. Good qualitative agreement with the fractional H2 abundance determinations has been obtained. The observed kinetic temperatures near 80 K can also be achieved by grain photoelectron heating. The problem of the electron density is solved taking special account of the various hydrogen ions as well as heavier ones.

  12. Deflection of the Interstellar Neutral Hydrogen Flow Across the Heliospheric Interface: an Interstellar Magnetic Compass

    NASA Astrophysics Data System (ADS)

    Lallement, R.; Eric, Q.; Jean-Loup, B.; Dimitra, K.; Risto, P.

    2005-05-01

    Analyses of SOHO-SWAN observations show that the interstellar neutral H flow direction differs by about 4 degrees from the neutral He flow direction recently derived with an unprecedented accuracy using combined data sets (Mobius et al, 2004). The most likely explanation is a distortion of the heliospheric interface under the action of an inclined interstellar magnetic field, with imprints of the distorsion on the neutral H flow due to charge-transfer reactions between H atoms and ions. The direction of the ambient interstellar magnetic field and the heliospheric shape can be derived from the observed deviation. Implications for Voyager trajectories are discussed.

  13. Metastability of isoformyl ions in collisions with helium and hydrogen. [in interstellar molecular clouds

    NASA Technical Reports Server (NTRS)

    Green, S.

    1984-01-01

    The stability of HOC(+) ions under conditions in interstellar molecular clouds is considered. In particular, the possibility that collisions with helium or hydrogen will induce isomerization to the stable HCO(+) form is examined theoretically. Portions of the electronic potential energy surfaces for interaction with He and H atoms are obtained from standard quantum mechanical calculations. Collisions with He atoms are found to be totally ineffective for inducing isomerization. Collisions with H atoms are found to be ineffective at low interstellar temperatures owing to a small (about 500 K) barrier in the entrance channel; at higher temperatures where this barrier can be overcome, however, collisions with hydrogen atoms do result in conversion to the stable HCO(+) form. Although detailed calculations are not presented, it is argued that low-energy collisions with H2 molecules are also ineffective in destroying the metastable ion.

  14. Dust clouds in Orion and the interstellar neutral hydrogen distribution

    NASA Technical Reports Server (NTRS)

    Bystrova, N. V.

    1989-01-01

    According to published examples of the far IR observations in the Orion and its surroundings, several well defined dust clouds of different sizes and structure are present. For comparison of these clouds with the neutral hydrogen distribution on the area of approx. 1000 sq degs, the data from Pulkovo Sky Survey in the interstellar neutral Hydrogen Radio Line as well as special observations with the RATAN-600 telescope in 21 cm line were used. From the materials of Pulkovo HI Survey, the data were taken near the line emission at ten velocities between -21.8 and +25.6 km/s LSR for the structural component of the interstellar hydrogen emission. The results given concern mainly the Orion's Great Dust Cloud and the Lambda Orionis region where the information about the situation with the dust and interstellar hydrogen is very essential for interpretation.

  15. Vacuum ultraviolet photolysis of hydrogenated amorphous carbons . I. Interstellar H2 and CH4 formation rates

    NASA Astrophysics Data System (ADS)

    Alata, I.; Cruz-Diaz, G. A.; Muñoz Caro, G. M.; Dartois, E.

    2014-09-01

    Context. The interstellar hydrogenated amorphous carbons (HAC or a-C:H) observed in the diffuse medium are expected to disappear in a few million years, according to the destruction time scale from laboratory measurements. The existence of a-C:H results from the equilibrium between photodesorption, radiolysis, hydrogenation and resilience of the carbonaceous network. During this processing, many species are therefore injected into the gas phase, in particular H2, but also small organic molecules, radicals or fragments. Aims: We perform experiments on interstellar a-C:H analogs to quantify the release of these species in the interstellar medium. Methods: The vacuum ultraviolet (VUV) photolysis of interstellar hydrogenated amorphous carbon analogs was performed at low (10 K) to ambient temperature, coupled to mass-spectrometry detection and temperature-programed desorption. Using deuterium isotopic substitution, the species produced were unambiguously separated from background contributions. Results: The VUV photolysis of hydrogenated amorphous carbons leads to the efficient production of H2 molecules, but also to small hydrocarbons. Conclusions: These species are formed predominantly in the bulk of the a-C:H analog carbonaceous network, in addition to the surface formation. Compared with species made by the recombination of H atoms and physisorbed on surfaces, they diffuse out at higher temperatures. In addition to the efficient production rate, it provides a significant formation route in environments where the short residence time scale for H atoms inhibits H2 formation on the surface, such as PDRs. The photolytic bulk production of H2 with carbonaceous hydrogenated amorphous carbon dust grains can provide a very large portion of the contribution to the H2 molecule formation. These dust grains also release small hydrocarbons (such as CH4) into the diffuse interstellar medium, which contribute to the formation of small carbonaceous radicals after being dissociated

  16. Charge transfer reactions in multiply charged ion-atom collisions. [in interstellar clouds

    NASA Technical Reports Server (NTRS)

    Steigman, G.

    1975-01-01

    Charge-transfer reactions in collisions between highly charged ions and neutral atoms of hydrogen and/or helium may be rapid at thermal energies. If these reactions are rapid, they will suppress highly charged ions in H I regions and guarantee that the observed absorption features from such ions cannot originate in the interstellar gas. A discussion of such charge-transfer reactions is presented and compared with the available experimental data. The possible implications of these reactions for observations of the interstellar medium, H II regions, and planetary nebulae are outlined.

  17. Deuterium enrichment of interstellar methanol explained by atom tunneling.

    PubMed

    Goumans, T P M; Kästner, Johannes

    2011-10-01

    We calculate, down to low temperature and for different isotopes, the reaction rate constants for the hydrogen abstraction reaction H + H(3)COH → H(2) + CH(2)OH/CH(3)O. These explain the known abundances of deuterated forms of methanol in interstellar clouds, where CH(2)DOH can be almost as abundant as CH(3)OH. For abstraction from both the C- and the O-end of methanol, the barrier-crossing motion involves the movement of light hydrogen atoms. Consequently, tunneling plays a dominant role already at relatively high temperature. Our implementation of harmonic quantum transition state theory with on the fly calculation of forces and energies accounts for these tunneling effects. The results are in good agreement with previous semiclassical and quantum dynamics calculations (down to 200 K) and experimental studies (down to 295 K). Here we extend the rate calculations down to lower temperature: 30 K for abstraction from the C-end of methanol and 80 K for abstraction from the OH-group. At all temperatures, abstraction from the C-end is preferred over abstraction from the O-end, more strongly so at lower temperature. Furthermore, the tunneling behavior strongly affects the kinetic isotope effects (KIEs). D + H(3)COH → HD + CH(2)OH has a lower vibrationally adiabatic barrier than H + H(3)COH → H(2) + CH(2)OH, giving rise to an inverse KIE (k(H)/k(D) < 1) at high temperature, in accordance with previous experiments and calculations. However, since tunneling is more facile for the light H atom, abstraction by H is favored over abstraction by D below ~135 K, with a KIE k(H)/k(D) of 11.2 at 30 K. The H + D(3)COD → HD + CD(2)OD reaction is calculated to be much slower than the D + H(3)COH → HD + CH(2)OH, in agreement with low-temperature solid-state experiments, which suggests the preference for H (as opposed to D) abstraction from the C-end of methanol to be the mechanism by which interstellar methanol is deuterium-enriched.

  18. LOCAL INTERSTELLAR HYDROGEN'S DISAPPEARANCE AT 1 AU: FOUR YEARS OF IBEX IN THE RISING SOLAR CYCLE

    SciTech Connect

    Saul, Lukas; Rodriguez, Diego; Scheer, Juergen; Wurz, Peter; Bzowski, Maciej; Kubiak, Marzena; Sokol, Justina; Fuselier, Stephen; McComas, Dave; Moebius, Eberhard

    2013-04-20

    NASA's Interstellar Boundary Explorer (IBEX) mission has recently opened a new window on the interstellar medium (ISM) by imaging neutral atoms. One ''bright'' feature in the sky is the interstellar wind flowing into the solar system. Composed of remnants of stellar explosions as well as primordial gas and plasma, the ISM is by no means uniform. The interaction of the local ISM with the solar wind shapes our heliospheric environment with hydrogen being the dominant component of the very local ISM. In this paper, we report on direct sampling of the neutral hydrogen of the local ISM over four years of IBEX observations. The hydrogen wind observed at 1 AU has decreased and nearly disappeared as the solar activity has increased over the last four years; the signal at 1 AU has dropped off in 2012 by a factor of {approx}8 to near background levels. The longitudinal offset has also increased with time presumably due to greater radiation pressure deflecting the interstellar wind. We present longitudinal and latitudinal arrival direction measurements of the bulk flow as measured over four years beginning at near solar minimum conditions. The H distribution we observe at 1 AU is expected to be different from that outside the heliopause due to ionization, photon pressure, gravity, and filtration by interactions with heliospheric plasma populations. These observations provide an important benchmark for modeling of the global heliospheric interaction. Based on these observations we suggest a further course of scientific action to observe neutral hydrogen over a full solar cycle with IBEX.

  19. THE IMPRINT OF THE VERY LOCAL INTERSTELLAR MAGNETIC FIELD IN SIMULATED ENERGETIC NEUTRAL ATOM MAPS

    SciTech Connect

    Prested, C.; Schwadron, N.; Opher, M. E-mail: nathanas@bu.ed

    2010-06-10

    The interaction of the solar wind with the very local interstellar medium (VLISM) forms the boundaries of the heliosphere. A strong asymmetry of the heliosphere was found both directly by the Voyager probes and indirectly from measurements of the deflection of neutral hydrogen. The most likely source of this asymmetry is from the interstellar magnetic field, the properties of which are highly unconstrained. Energetic neutral atom (ENA) images will provide an additional method to view the heliosphere and infer the interstellar magnetic field. This paper investigates the imprint of the interstellar magnetic field on simulated energetic neutral atom all-sky maps. We show that a significant source of 0.5-1 keV ENAs may originate from the outside of the heliopause, if a strong suprathermal population exists in the VLISM. In simulations, a strong outer heliosheath ENA feature appears near the nose of the heliosphere. A weaker, complementary feature is also present consisting entirely of inner heliosheath ENAs. From this feature the direction of the interstellar magnetic field can be easily inferred.

  20. Studies of Interstellar and Circumstellar Magnetic Field with Aligned Atoms

    NASA Astrophysics Data System (ADS)

    Lazarian, A.; Yan, H.

    2004-12-01

    Population of levels of the hyperfine and fine split ground state of an atom is affected by radiative transitions induced by anisotropic radiation flux. Such aligned atoms precess in the external magnetic field and this affects properties of polarized radiation arising from both scattering and absorption by atoms. As the result the degree of light polarization depends on the direction of the magnetic field. This provides a new tool for studies of astrophysical magnetic fields using optical and UV polarimetry. We provide calculations for several atoms and ions that can be used to study magnetic fields in interplanetary medium, interstellar medius, circumstellar regions and quasars.

  1. Interstellar Hydrides

    NASA Astrophysics Data System (ADS)

    Gerin, Maryvonne; Neufeld, David A.; Goicoechea, Javier R.

    2016-09-01

    Interstellar hydrides—that is, molecules containing a single heavy element atom with one or more hydrogen atoms—were among the first molecules detected outside the solar system. They lie at the root of interstellar chemistry, being among the first species to form in initially atomic gas, along with molecular hydrogen and its associated ions. Because the chemical pathways leading to the formation of interstellar hydrides are relatively simple, the analysis of the observed abundances is relatively straightforward and provides key information about the environments where hydrides are found. Recent years have seen rapid progress in our understanding of interstellar hydrides, thanks largely to FIR and submillimeter observations performed with the Herschel Space Observatory. In this review, we discuss observations of interstellar hydrides, along with the advanced modeling approaches that have been used to interpret them and the unique information that has thereby been obtained.

  2. The effect of new interstellar medium parameters on the heliosphere and energetic neutral atoms from the interstellar boundary

    SciTech Connect

    Heerikhuisen, J.; Zirnstein, E. J.; Pogorelov, N. V.; Zank, G. P.; Funsten, H. O.

    2014-03-20

    We present new results from three-dimensional simulations of the solar wind interaction with the local interstellar medium (LISM) using recent observations by NASA's Interstellar Boundary EXplorer (IBEX) mission estimates of the velocity and temperature of the LISM. We investigate four strengths of the LISM magnetic field, from 1 to 4 μG, and adjust the LISM proton and hydrogen densities so that the distance to the termination shock (TS) in the directions of the Voyager spacecraft is just below 90 AU, and the density of hydrogen at the TS is close to 0.09 cm{sup –3} in the nose direction. The orientation of the magnetic field is chosen to point toward the center of the ribbon of enhanced energetic neutral atom (ENA) flux seen in the IBEX data. Our simulations show that the plasma and neutral properties in the outer heliosheath vary considerably as a function of the LISM magnetic field strength. We also show that the heliotail points downwind in all cases, though its structure is strongly affected by the external magnetic field. Comparison and consistency between the simulated ENA flux and the circularity of the ribbon as measured by IBEX are most consistent with a LISM magnetic field strength aligned with the center of the ribbon and a magnitude in the range 2.5-3 μG.

  3. Charting the Interstellar Magnetic Field causing the Interstellar Boundary Explorer (IBEX) Ribbon of Energetic Neutral Atoms

    NASA Astrophysics Data System (ADS)

    Frisch, P. C.; Berdyugin, A.; Piirola, V.; Magalhaes, A. M.; Seriacopi, D. B.; Wiktorowicz, S. J.; Andersson, B.-G.; Funsten, H. O.; McComas, D. J.; Schwadron, N. A.; Slavin, J. D.; Hanson, A. J.; Fu, C.-W.

    2015-12-01

    .8}-27.6+23.5 between {B}{POL} and the bulk LSR velocity the local interstellar material indicates a geometry that is consistent with an expanding superbubble. The efficiency of grain alignment in the local interstellar medium has been assessed using stars where both polarization data and hydrogen column density data are available. Nearby stars appear to have larger polarizations than expected based on reddened sightlines, which is consistent with previous results, but uncertainties are large. Optical polarization and color excess E(B - V) data indicate the presence of nearby interstellar dust in the BICEP2 field. Color excess E(B - V) indicates an optical extinction of AV > 0.6 in the BICEP2 field, while the polarization data indicate that AV > 0.09 mag. The IBEX Ribbon ISMF extends to the boundaries of the BICEP2 region.

  4. Reaction of atomic hydrogen with formic acid.

    PubMed

    Cao, Qian; Berski, Slawomir; Latajka, Zdzislaw; Räsänen, Markku; Khriachtchev, Leonid

    2014-04-01

    We study the reaction of atomic hydrogen with formic acid and characterize the radical products using IR spectroscopy in a Kr matrix and quantum chemical calculations. The reaction first leads to the formation of an intermediate radical trans-H2COOH, which converts to the more stable radical trans-cis-HC(OH)2via hydrogen atom tunneling on a timescale of hours at 4.3 K. These open-shell species are observed for the first time as well as a reaction between atomic hydrogen and formic acid. The structural assignment is aided by extensive deuteration experiments and ab initio calculations at the UMP2 and UCCSD(T) levels of theory. The simplest geminal diol radical trans-cis-HC(OH)2 identified in the present work as the final product of the reaction should be very reactive, and further reaction channels are of particular interest. These reactions and species may constitute new channels for the initiation and propagation of more complex organic species in the interstellar clouds.

  5. EXPERIMENTAL AND THEORETICAL STUDIES OF REACTIONS BETWEEN H ATOMS AND CARBANIONS OF INTERSTELLAR RELEVANCE

    SciTech Connect

    Yang Zhibo; Eichelberger, Brian; Carpenter, Marshall Y.; Martinez, Oscar; Bierbaum, Veronica M.; Snow, Theodore P. E-mail: BEichelberger@jbu.ed E-mail: Oscar.Martinez@colorado.ed E-mail: Theodore.Snow@colorado.ed

    2010-11-10

    The recent detection of molecular anions in the interstellar medium (ISM) has highlighted the need for laboratory studies of negative ion chemistry. Hydrogen atoms are the most abundant atomic species in the ISM, and the chemistry of H atoms with anions may contribute to molecular synthesis in interstellar clouds. This work is a combined experimental and computational study of a series of anions reacting with H atoms by associative detachment (A{sup -} + H {yields} AH + e {sup -}). The anions include deprotonated nitriles (CH{sub 2}CN{sup -}, CH{sub 3}CHCN{sup -}, and (CH{sub 3}){sub 2}CCN{sup -}), acetaldehyde (HC(O)CH{sub 2} {sup -}), acetone (CH{sub 3}C(O)CH{sub 2} {sup -}), ethyl acetate (CH{sub 3}CH{sub 2}OC(O)CH{sub 2} {sup -}), methanol (CH{sub 3}O{sup -}), and acetic acid (CH{sub 3}CO{sub 2} {sup -}). Experimental measurements of the reaction rate constants were made with the flowing afterglow-selected ion flow tube technique. Ab initio theoretical calculations were carried out to explore the reaction mechanism and investigate the factors influencing reaction efficiencies, which are largely proportional to reaction exothermicities. Other factors influencing reaction efficiencies include the charge density on the reactive site of the anion, the characteristics of the potential energy surfaces along the approach of the reactants, and angular momentum conservation of the anion-H atom collision.

  6. Thin film atomic hydrogen detectors

    NASA Technical Reports Server (NTRS)

    Gruber, C. L.

    1977-01-01

    Thin film and bead thermistor atomic surface recombination hydrogen detectors were investigated both experimentally and theoretically. Devices were constructed on a thin Mylar film substrate. Using suitable Wheatstone bridge techniques sensitivities of 80 microvolts/2x10 to the 13th power atoms/sec are attainable with response time constants on the order of 5 seconds.

  7. Atomic hydrogen in planetary nebulae

    NASA Technical Reports Server (NTRS)

    Schneider, Stephen E.; Silverglate, Peter R.; Altschuler, Daniel R.; Giovanardi, Carlo

    1987-01-01

    The authors searched for neutral atomic hydrogen associated with 22 planetary nebulae and three evolved stars in the 21 cm line at the Arecibo Observatory. Objects whose radial velocities permitted discrimination from Galactic H I were chosen for observation. Hydrogen was detected in absorption from IC 4997. From the measurements new low limits are derived to the mass of atomic hydrogen associated with the undetected nebulae. Radio continuum observations were also made of several of the nebulae at 12.6 cm. The authors reexamine previous measurements of H I in planetary nebulae, and present the data on a consistent footing. The question of planetary nebula distances is considered at length. Finally, implications of the H I measurements for nebular evolution are discussed and it is suggested that atomic hydrogen seen in absorption was expelled from the progenitor star during the final 1000 yr prior to the onset of ionization.

  8. Direction of interstellar hydrogen flow in the heliosphere: theoretical modelling and comparison with SOHO/SWAN data

    NASA Astrophysics Data System (ADS)

    Katushkina, O. A.; Izmodenov, V. V.; Alexashov, D. B.

    2015-01-01

    The analysis of SOlar and Heliospheric Observatory (SOHO) Solar Wind ANisotropies (SWAN) data for backscattered solar Lyman α radiation performed by Lallement et al. showed for the first time that the average direction of interstellar hydrogen flow in the heliosphere is deflected by several degrees relative to the original direction of the interstellar wind outside the heliosphere. This deflection is caused by the indirect influence of the interstellar magnetic field (IsMF) through charge exchange between hydrogen atoms and interstellar protons deflected by the IsMF in the region of interaction between the solar wind and the local interstellar medium (LISM). Thus, measurements of the backscattered Lyman α radiation at the Earth's orbit can be used as a remote IsMF diagnostic. However, the direction of interstellar hydrogen flow in the vicinity of the Sun may be influenced by other effects such as the solar radiation pressure, gravitation and ionization and kinetic non-Maxwellian properties of the hydrogen distribution and also may depend on other LISM parameters besides IsMF. In this work, we perform a theoretical modelling of the backscattered solar Lyman α radiation seen at 1 au from the Sun and analyse the direction of hydrogen flow in the heliosphere, which can be obtained from the spectral properties of the backscattered radiation. The influence of different effects mentioned above is investigated. Also we compare our results obtained by means of a state-of-art 3D time-dependent kinetic model of the hydrogen distribution with the SWAN data of 1996.

  9. GPGPU Approach: Simulation of the Interaction of Heavy Interstellar Atoms with the Heliosphere

    NASA Astrophysics Data System (ADS)

    DeStefano, A.

    2014-12-01

    Running simulations is an involved process taking many hours of computational time to complete. With the advent of cluster computing and parallel processing, problems may be solved in much less time compared to those run in serial. Specifically, NVIDIA released the parallel computing platform CUDA in 2007 giving researchers and programmers access to the GPU to solve generalized problems, and not those of just images.In current research, code has previously been developed to study the interaction of the heliosphere and heavy atoms from the local interstellar medium.Ionized species of hydrogen, helium and other heavy atoms are deflected by the heliosphere where as the neutral species are relatively unimpeded. Charge exchange of these neutral particles may occur between ionized species originating from the solar wind or other populations of pickup ions (PUI) modifying the shape and properties of the heliosphere, compared to one without neutrals. The details of the charge exchange interaction are element dependent and need to be investigated one by one. Current research has studied the interaction of local interstellar hydrogen with the heliosphere quite extensively with theory, simulations and modeling.Since hydrogen is the most abundant element care must be taken when coupling MHD equations with the charge exchange interactions. Simulation code has been developed to account for this dynamic problem and they have shown that the shape of the heliosphere is affected by this. Interstellar atoms heavier than hydrogen interacting with the heliosphere has been looked at as well, but not nearly with as much detail or sophisticated models as hydrogen. The heavy atom data collected by IBEX has in this sense been under-utilized by models.Previously, the simulation was computed with the use of MPI (Message Passing Interface) for parallelization. This approach provided a decrease in computational time. However, CUDA enables the programmer to take advantage of the computer

  10. The sticking of atomic hydrogen on amorphous water ice

    SciTech Connect

    Veeraghattam, Vijay K.; Manrodt, Katie; Lewis, Steven P.; Stancil, P. C. E-mail: lewis@physast.uga.edu

    2014-07-20

    Using classical molecular dynamics, we have simulated the sticking and scattering process of a hydrogen atom on an amorphous ice film to predict the sticking probability of hydrogen on ice surfaces. A wide range of initial kinetic energies of the incident hydrogen atom (10 K-600 K) and two different ice temperatures (10 K and 70 K) were used to investigate this fundamental process in interstellar chemistry. We report here the sticking probability of atomic hydrogen as a function of incident kinetic energy, gas temperature, and substrate temperature, which can be used in astrophysical models. The current results are compared to previous theoretical and experimental studies that have reported a wide range in the sticking coefficient.

  11. Electron impact ionization rates for interstellar H and He atoms near interplanetary shocks: Ulysses observations

    SciTech Connect

    Feldman, W.C.; Phillips, J.L.; Gosling, J.T.; Isenberg, P.A.

    1996-07-01

    Solar wind plasma data measured during the near-ecliptic phase of the Ulysses mission between October, 1990 and January, 1993 were studied to determine the relative importance of electron-impact ionization to the total ionization rates of interstellar hydrogen and helium atoms. During times of quiet flow conditions electron-impact ionization rates were found to be generally low, of the order of 1{percent} of the total ionization rates. However, just downstream of the strongest CME- and CIR-driven shock waves encountered by Ulysses, the electron impact-ionization rate at times was more than 10{percent} that of the charge-exchange rate for hydrogen and more than 100{percent} that of the photoionization rate for helium. {copyright} {ital 1996 American Institute of Physics.}

  12. Detection of interstellar hydrogen sulfide in cold, dark clouds.

    PubMed

    Minh, Y C; Irvine, W M; Ziurys, L M

    1989-10-01

    We have detected interstellar hydrogen sulfide (H2S) toward the cold, dark clouds L134N and TMC 1. We derive total column densities of approximately 2.6 x 10(13) cm-2 and approximately 7.0 x 10(12) cm-2 at the SO peak of L134N and at the NH3 peak of TMC 1, respectively. Since the expected gas phase reactions leading to the formation of H2S are thought to be endothermic, grain surface reactions may play a major role in the synthesis of this species in cold, dark clouds. If the carbon abundance is high and grain surface reactions are the dominant formation route, H2CS would be expected to form instead of H2S, and the abundances of H2CS have been observed to be high where those of H2S are low in L134N and TMC 1.

  13. STUDIES OF DIFFUSE INTERSTELLAR BANDS V. PAIRWISE CORRELATIONS OF EIGHT STRONG DIBs AND NEUTRAL HYDROGEN, MOLECULAR HYDROGEN, AND COLOR EXCESS

    SciTech Connect

    Friedman, Scott D.; Sonnentrucker, Paule; York, Donald G.; Hobbs, L. M.; McCall, Benjamin J.; Dahlstrom, Julie; Welty, Daniel E.; Drosback, Meredith M.; Rachford, Brian L.; Snow, Theodore P.

    2011-01-20

    We establish correlations between equivalent widths of eight diffuse interstellar bands (DIBs), and examine their correlations with atomic hydrogen, molecular hydrogen, and E{sub B-V}. The DIBs are centered at {lambda}{lambda} 5780.5, 6204.5, 6283.8, 6196.0, 6613.6, 5705.1, 5797.1, and 5487.7, in decreasing order of Pearson's correlation coefficient with N(H) (here defined as the column density of neutral hydrogen), ranging from 0.96 to 0.82. We find the equivalent width (EW) of {lambda}5780.5 is better correlated with column densities of H than with E{sub B-V} or H{sub 2}, confirming earlier results based on smaller data sets. We show that the same is true for six of the seven other DIBs presented here. Despite this similarity, the eight strong DIBs chosen are not correlated well enough with each other to suggest they come from the same carrier. We further conclude that these eight DIBs are more likely to be associated with H than with H{sub 2}, and hence are not preferentially located in the densest, most UV shielded parts of interstellar clouds. We suggest that they arise from different molecules found in diffuse H regions with very little H{sub 2} (molecular fraction f < 0.01). Of the 133 stars with available data in our study, there are three with significantly weaker {lambda}5780.5 than our mean H-{lambda}5780.5 relationship, all of which are in regions of high radiation fields, as previously noted by Herbig. The correlations will be useful in deriving interstellar parameters when direct methods are not available. For instance, with care, the value of N(H) can be derived from W{sub {lambda}}(5780.5).

  14. An Atomic Hydrogen Mushroom

    NASA Astrophysics Data System (ADS)

    English, J.; Taylor, A. R.; Irwin, J. A.; Canadian Galactic Plane Survey Collaboration

    1998-12-01

    Neutral hydrogen ``worms'', which stream vertically from the mid-plane to high latitudes, may be conduits through which hot gas can escape into the halo. Using the Dominion Radio Astrophysical Observatory's (DRAO) Synthesis Telescope, as part of the Canadian Galactic Plane Survey, we have resolved an HI worm candidate. Although simulations have previously made general predictions, these data will constrain, for the first time, detailed numerical models of the dynamical processes generating disk-halo features. After the incorporation of the data from the 26-m DRAO's single-dish telescope, the mosaic data cube has full information on all spatial scales down to a resolution limit of 1 arcmin and a velocity resolution of 0.82 km s(-1) . Thus we delineate Rayleigh-Taylor instability-like structures and can distinguish a 5 km s(-1) line of sight velocity difference between the base and top of the worm. In general morphology, the worm is mushroom-shaped. Although it extends only a few hundred parsecs south of the midplane, the cap appears to be fragmenting. This may allow hot material from the stem's cavity, as well as UV photons, to escape to higher galactic latitudes. The preliminary estimate of the observed minimum HI mass is 1.3 x 10(5) Msolar. Our initial thin-shell model, which assumes supernovae explosions drive this outflow, gives a minimum total energy of about 100 x 10(51) ergs s(-1) .

  15. Ultraviolet observations of cool stars. VII - Local interstellar hydrogen and deuterium Lyman-alpha

    NASA Technical Reports Server (NTRS)

    Mcclintock, W.; Henry, R. C.; Linsky, J. L.; Moos, H. W.

    1978-01-01

    High-resolution Copernicus spectra of Epsilon Eri and Epsilon Ind containing interstellar hydrogen and deuterium L-alpha absorption lines are presented, reduced, and analyzed. Parameters of the interstellar hydrogen and deuterium toward these two stars are derived independently, without any assumptions concerning the D/H ratio. Copernicus spectra of Alpha Aur and Alpha Cen A are reanalyzed, and limits on the D/H number-density ratio consistent with the data for all four stars are considered. A comparison of the present estimates for the parameters of the local interstellar medium with those obtained by other techniques shows that there is no compelling evidence for significant variations in the hydrogen density and D/H ratio in the local interstellar medium. On this basis the hypothesis of an approaching local interstellar cloud proposed by Vidal-Madjar et al. (1978) is rejected

  16. Energy storage possibilities of atomic hydrogen

    NASA Technical Reports Server (NTRS)

    Etters, R. D.; Dugan, J. V., Jr.; Palmer, R.

    1976-01-01

    The possibility of storing large amounts of energy in a free radical system such as atomic hydrogen is analyzed. Attention is focused on theoretical calculations of the ground state properties of spin-aligned atomic triplet hydrogen, deuterium, and tritium. The solid-liquid phase transition in atomic hydrogen is also examined.

  17. A massive cloud of cold atomic hydrogen in the outer Galaxy.

    PubMed

    Knee, L B; Brunt, C M

    2001-07-19

    A large fraction of the mass of the interstellar medium in our Galaxy is in the form of warm (103-104 K) and cool (50-100 K) atomic hydrogen (H i) gas. Cold (10-30 K) regions are thought to be dominated by dense clouds of molecular hydrogen. Cold H i is difficult to observe, and therefore our knowledge of its abundance and distribution in the interstellar medium is poor. The few known clouds of cold H i are much smaller in size and mass than typical molecular clouds. Here we report the discovery that the H i supershell GSH139-03-69 is very cold (10 K). It is about 2 kiloparsecs in size and as massive as the largest molecular complexes. The existence of such an immense structure composed of cold atomic hydrogen in the interstellar medium runs counter to the prevailing view that cold gas resides almost exclusively in clouds dominated by molecular hydrogen.

  18. Energetic neutral helium atoms as a tool to study the heliosphere and the local interstellar medium

    NASA Astrophysics Data System (ADS)

    Swaczyna, Pawel; Grzedzielski, Stan; Bzowski, Maciej

    2015-04-01

    The aim of our study is to determine the utility of helium energetic neutral atoms (ENA) in the studies of the outer heliosphere, its boundary region, and the nearby interstellar medium, and to assess the requirements for future instruments to enable them to observe He ENA fluxes. Presently, studying these regions is rendered possible mostly by combining the in-situ measurements by the plasma and cosmic-ray instruments on Voyagers and the remote-sensing observations of H ENA from IBEX. Helium as the second most abundant species in the universe could potentially enable further extension of our knowledge about nearest surroundings of the Sun. We assessed the expected emission of the heliospheric He ENA and of He ENA from the nearby interstellar medium. To estimate the heliospheric emission of He ENA we used a simple model of the heliosphere and performed numerical simulations to determine the distribution of various populations of helium ions in the inner heliosphere. Based on this model, we calculated fluxes of He ENA created by charge exchange between helium ions and neutral atoms over a wide energy range from 0.5 keV/nuc up to 1 MeV/nuc. We included binary interactions between various combinations of hydrogen and helium ions and atoms. We also included the signal from the vicinity of the heliosphere produced via the secondary ENA mechanism, which is most likely the source for the observed IBEX Ribbon. The mean free path against ionization of He ENA in the local interstellar medium reaches about 8000 AU for atoms with an energy of a few keV. This is about 10 times more than the mean free path against ionization for hydrogen atoms at the same energy. Thus emission of helium ENA from hypothetic extraheliospheric sources could be detectable from larger distances than the hydrogen atoms. This could provide a novel method of sounding the sources of suprathermal ions that might operate in the surrounding of the heliosphere. The He ENA produced by charge-exchange could

  19. Atomic and Molecular Data for Interstellar Studies: A Status Report

    NASA Technical Reports Server (NTRS)

    Federman, Steven R.; Cardelli, Jason A.

    1996-01-01

    Most interstellar species have a large fraction of their electronic transitions at far ultraviolet wavelengths. Observations at these wavelengths reveal spectra rich in absorption lines seen against the continuum of a background source, such as a hot star in our Galaxy, a supernova in a nearby galaxy, or even a bright nucleus in an active galaxy. Most of the observations continue to be made with space-borne instruments, but recent work includes measurements of extragalactic material at large redshifts obtained at high resolution with large ground-based telescopes (e.g., the Keck Telescope). The combination of precise experimental oscillator strengths, large-scale computations, and astronomical spectra with high signal-to-noise ratios are yielding a set of self-consistent-values that span a range in strength in excess of 100 for more and more species. The large range is important for studies involving the different environments probed by the various background sources. This review highlights recent work on the atomic species. Si II, S I, and Fe II, and on the molecules, CO and C2.

  20. NASA atomic hydrogen standards program: An update

    NASA Technical Reports Server (NTRS)

    Reinhardt, V. S.; Kaufmann, D. C.; Adams, W. A.; Deluca, J. J.; Soucy, J. L.

    1976-01-01

    Comparisons are made between the NP series and the NX series of hydrogen masers. A field operable hydrogen maser (NR series) is also described. Atomic hydrogen primary frequency standards are in development stages. Standards are being developed for a hydrogen beam frequency standard and for a concertina hydrogen maser.

  1. The Atomic to Molecular Transition in the Interstellar Medium

    NASA Technical Reports Server (NTRS)

    Goldsmith, Paul F.

    2012-01-01

    Study of H2 in UV and IR continues to surprise us with complexity of excitation state, OPR, and role in astrochemistry. Atomic H in molecular clouds is a very powerful tool suggesting that they are not "young" but that it takes millions of years to convert primarily atomic hydrogen clouds to 99.9% molecular form. Laboratory data suggests that H2 formation is efficient over broader range of temperatures than thought to be the case a few years ago, but range is still limited. Issues of complex grain morphology and surface structure make this a very difficult field in which to obtain definitively meaningful results. Ongoing and future observations of CI and CII will improve our understanding of the structure of clouds, their total mass, and how they have evolved and will continue to do so.

  2. Atomic-scale simulations of atomic and molecular mobility in models of interstellar ice

    NASA Astrophysics Data System (ADS)

    Andersson, Stefan

    The mobility of atoms and molecular radicals at ice-covered dust particles controls the surprisingly rich chemistry of circumstellar and interstellar environments, where a large number of different organic molecules have been observed. Both thermal and non-thermal processes, for instance caused by UV radiation, have been inferred to play important roles in this chemistry. A growing number of experimental studies support previously suggested mechanisms and add to the understanding of possible astrochemical processes. Simulations, of both experiments and astrophysical environments, aid in interpreting experiments and suggesting important mechanisms. Still, the exact mechanisms behind the mobility of species in interstellar ice are far from fully understood. We have performed calculations at the molecular level on the mobility of H atoms and OH radicals at water ice surfaces of varying morphology. Calculations of binding energies and diffusion barriers of H atoms at crystalline and amorphous ice surfaces show that the experimentally observed slower diffusion at amorphous ice is due to considerably stronger binding energies and higher diffusion barriers than at crystalline ice. These results are in excellent agreement with recent experiments. It was also found that quantum tunneling is important for H atom mobility below 10 K. The binding energies and diffusion barriers of OH radicals at crystalline ice have been studied using the ONIOM(QM:AMOEBA) approach. Results indicate that OH diffusion over crystalline ice, contrary to the case of H atoms, might be slower at crystalline ice than at amorphous ice, due to a higher surface density of stronger binding sites at crystalline ice. We have also performed molecular dynamics simulations of the photoexcitation of vapor-deposited water at a range of surface temperatures. These results support that the experimentally observed desorption of H atoms following UV excitation is best explained by release of H atoms from

  3. Hydrogen-Atom Transfer Reactions.

    PubMed

    Wang, Liang; Xiao, Jian

    2016-04-01

    The cascade [1,n]-hydrogen transfer/cyclization, recognized as the tert-amino effect one century ago, has received considerable interest in recent decades, and great achievements have been made. With the aid of this strategy, the inert C(sp(3))-H bonds can be directly functionalized into C-C, C-N, C-O bonds under catalysis of Lewis acids, Brønsted acids, as well as organocatalysts, and even merely under thermal conditions. Hydrogen can be transferred intramolecularly from hydrogen donor to acceptor in the form of hydride, or proton, followed by cyclization to furnish the cyclic products in processes featuring high atom economy. Methylene/methine adjacent to heteroatoms, e.g., nitrogen, oxygen, sulfur, can be exploited as hydride donor as well as methylene/methine without heteroatom assistance. Miscellaneous electrophilic subunits or intermediates, e.g., alkylidene malonate, carbophilic metal activated alkyne or allene, α,β-unsaturated aldehydes/ketone, saturated aldehydes/iminium, ketenimine/carbodiimide, metal carbenoid, electron-withdrawing groups activated allene/alkyne, in situ generated carbocation, can serve as hydride acceptors. This methodology has shown preeminent power to construct 5-, 6-, or 7-membered heterocyclic as well as carbon rings. In this chapter, various hydrogen donors and acceptors are adequately discussed. PMID:27573142

  4. Interaction of the solar wind with interstellar neutral hydrogen - Three-fluid model

    NASA Technical Reports Server (NTRS)

    Isenberg, P. A.

    1986-01-01

    It is commonly assumed in models of the solar wind-interstellar neutral hydrogen interaction that the ionized interstellar particles are quickly assimilated into the solar wind proton population and 'become indistinguishable' from the original solar wind. This assumption leads to the prediction that the solar wind proton temperature should increase with radius in the outer heliosphere. This temperature increase has not been observed. It is pointed out that assimilation of the interstellar particles to the point of indistinguishability takes place on the very long Coulomb collision time scale, and is not expected to occur within the heliosphere. Results are presented of a three-fluid model of the solar wind which consists of comoving thermal populations of protons of solar origin, protons produced by ionization of interstellar hydrogen, and electrons. The steady-state results yield a solar wind with a 'core' proton distribution which cools adiabatically, and a 'halo' of interstellar pickup protons which is maintained near 10 to the 7th K by the energy input of continued ionization and pickup. Such a distribution will not be observed to manifest the temperature increase at large heliocentric distances which is predicted from a one-fluid analysis. Further time-dependent calculations show a strong correlation between the densities of the solar wind and the interstellar pickup protons. It is suggested that the interstellar pickup population may be observable by the Voyager plasma instruments in low resolution mode during periods of high solar wind density and low solar wind temperature.

  5. Absorption Reveals and Hydrogen Addition Explains New Interstellar Aldehydes: Propenal and Propanal

    NASA Technical Reports Server (NTRS)

    Hollis, J. M.; Jewell, P. R.; Lovas, F. J.; Remijan, A.; Mollendal, H.

    2004-01-01

    New interstellar molecules propenal (CH2CHCHO) and propanal (CH3CH2CHO) have been detected largely in absorption toward the star-forming region Sagittarius B2(N) by means of rotational transitions observed with the 100-m Green Bank Telescope (GBT) operating in the range of 18 GHz (lambda approximately 1.7 cm) to 26 GHz (lambda approximately 1.2 cm). The GBT was also used to observe the previously reported interstellar aldehyde propynal (HC2CHO) in Sagittarius B2(N) which is known for large molecules believed to form on interstellar grains. The presence of these three interstellar aldehydes toward Sagittarius B2(N) strongly suggests that simple hydrogen addition on interstellar grains accounts for successively larger molecular species: from propynal to propenal and from propenal to propanal. Energy sources within Sagittarius B2(N) likely permit the hydrogen addition reactions on grain surfaces to proceed. This work demonstrates that successive hydrogen addition is probably an important chemistry route in the formation of a number of complex interstellar molecules. We also searched for but did not detect the three-carbon sugar glyceraldehyde (CH2OHCHOHCHO).

  6. Experiments with trapped hydrogen atoms and neutrons

    NASA Astrophysics Data System (ADS)

    Ramsey, Norman F.

    1995-01-01

    The earliest trapped atom coherent resonance experiments were with material traps or bottles. In the atomic hydrogen maser the atoms are trapped inside a teflon-coated quartz bulb for about a second. Neutrons have been trapped for hundreds of seconds in suitably coated bottles or in superconducting magnetic traps. Results from experiments with trapped atoms and neutrons are given.

  7. Experiments with trapped hydrogen atoms and neutrons

    NASA Astrophysics Data System (ADS)

    Ramsey, Norman F.

    1993-03-01

    The earliest trapped atom coherent resonance experiments were with material traps or bottles. In the atomic hydrogen maser, the atoms are trapped inside a teflon-coated quartz bulb for about a second. Neutrons have been trapped for hundreds of seconds in suitably coated bottles or in superconducting magnetic traps. Results from experiments with trapped atoms and neutrons are reported.

  8. Physical state of interstellar atoms. [from Copernicus satellite UV data

    NASA Technical Reports Server (NTRS)

    York, D. G.

    1974-01-01

    Brief survey of the physical conditions along the lines of sight to reddened and unreddened stars, as determined from Copernicus observation of interstellar lines between 95 and 300 nm. Differences in ionization structure and density between clouds and the local intercloud medium are discussed. Some new data for beta Centauri is used to supplement the previously available data.

  9. H ATOM IRRADIATION OF CARBON GRAINS UNDER SIMULATED DENSE INTERSTELLAR MEDIUM CONDITIONS: THE EVOLUTION OF ORGANICS FROM DIFFUSE INTERSTELLAR CLOUDS TO THE SOLAR SYSTEM

    SciTech Connect

    Mennella, Vito

    2010-08-01

    We present the results of experiments aimed at studying the interaction of hydrogen atoms at 80 K with carbon grains covered with a water ice layer at 12 K. The effects of H processing have been analyzed, using IR spectroscopy, as a function of the water ice layer. The results confirm that exposure of the samples to H atoms induces the activation of the band at 3.47 {mu}m with no evidence for the formation of aromatic and aliphatic C-H bonds in the CH{sub 2} and CH{sub 3} functional groups. The formation cross section of the 3.47 {mu}m band has been estimated from the increase of its integrated optical depth as a function of the H atom fluence. The cross section decreases with increasing thickness of the water ice layer, indicating an increase of adsorption of H atoms in the water ice layer. A penetration depth of 100 nm has been estimated for H atoms in the porous water ice covering carbon grains. Sample warm-up at room temperature causes the activation of the IR features due to the vibrations of the CH{sub 2} and CH{sub 3} aliphatic functional groups. The evolution of the 3.47 {mu}m band carrier has been evaluated for dense and diffuse interstellar clouds, using the estimated formation cross section and assuming that the destruction cross section by energetic processing is the same as that derived for the 3.4 {mu}m band. In both environments, the presence of the 3.47 {mu}m band carrier is compatible with the evolutionary timescale limit imposed by fast cycling of materials between dense and diffuse regions of the interstellar medium. In diffuse regions the formation of the CH{sub 2} and CH{sub 3} aliphatic bands, inhibited in dense regions, takes place, masking the 3.47 {mu}m band. The activation of the CH{sub 2} and CH{sub 3} aliphatic vibrational modes at the end of H processing after sample warm-up represents the first experimental evidence supporting an evolutionary connection between the interstellar carbon grain population, which is responsible for the 3

  10. AN ESTIMATE OF THE NEARBY INTERSTELLAR MAGNETIC FIELD USING NEUTRAL ATOMS

    SciTech Connect

    Heerikhuisen, J.; Pogorelov, N. V.

    2011-09-01

    The strength and orientation of the magnetic field in the nearby interstellar medium have remained elusive, despite continual improvements in observations and models. Data from NASA's Voyager mission and the Solar Wind ANisotropies (SWAN) experiment on board Solar and Heliospheric Observatory (SOHO) have placed observational constraints on the magnetic field, and the more recent Interstellar Boundary Explorer (IBEX) data appear to also bear an imprint of the interstellar magnetic field (ISMF). In this paper, we combine computational models of the heliosphere with data from Voyager, SOHO/SWAN, and IBEX to estimate both the strength and direction of the nearby ISMF. On the basis of our simulations, we find that a field strength of 2-3 {mu}G pointing from ecliptic coordinates (220-224, 39-44), combined with an interstellar hydrogen density of {approx}0.15 cm{sup -3}, produces results most consistent with observations.

  11. COMPETING MECHANISMS OF MOLECULAR HYDROGEN FORMATION IN CONDITIONS RELEVANT TO THE INTERSTELLAR MEDIUM

    SciTech Connect

    Lemaire, J. L.; Vidali, G.; Baouche, S.; Chehrouri, M.; Chaabouni, H.; Mokrane, H.

    2010-12-20

    The most efficient mechanism of the formation of molecular hydrogen in the current universe is by association of hydrogen atoms on the surface of interstellar dust grains. The details of the processes of its formation and release from the grain are of great importance in the physical and chemical evolution of the space environments where it takes place. The main puzzle is still the fate of the 4.5 eV released in H{sub 2} formation and whether it goes into internal energy (rovibrational excitation), translational kinetic energy, or heating of the grain. The modality of the release of this energy affects the dynamics of the ISM and its evolution toward star formation. We present results of the detection of the rovibrational states of the just-formed H{sub 2} as it leaves the surface of a silicate. We find that rovibrationally excited molecules are ejected into the gas phase immediately after formation over a much wider range of grain temperatures than anticipated. Our results can be explained by the presence of two mechanisms of molecule formation that operate in partially overlapping ranges of grain temperature. A preliminary analysis of the relative importance of these two mechanisms is given. These unexpected findings, which will be complemented with experiments on the influence of factors such as silicate morphology, should be of great interest to the astrophysics and astrochemistry communities.

  12. Photometric Observations of Interstellar Hydrogen by HDAC: In-flight Calibration

    NASA Astrophysics Data System (ADS)

    Keller, Horst Uwe; Skorov, Yuri; Reulke, Ralf; Glaßmeier, Karl-Heinz; Reshetnyk, Volodymyr

    2014-05-01

    HDAC is part of the ultraviolet imaging spectrometer (UVIS) onboard the Cassini spacecraft. The instrument scans the Lyman-α emission lines of hydrogen and deuterium atoms. In the photometer mode only the CEM detector is used to register the signals within a 3 degree field of view (FOV). HDAC has been switched on in photometer mode most of the time producing a unique continuous data set for more than a decade. An analysis of the Lyman-α background data serves two purposes: determination of the parameters of the interstellar/interplanetary hydrogen and determination of the properties of the solar wind. The exhaustive pre-flight laboratory calibrations included evaluation of the absolute sensitivity of the instrument; evaluation of the instrument spectral sensitivity; evaluation of the off-axis response. During the mission these characteristics may change over time due to continuous time degradation of electronics and/or abrupt events. We have systematically analyzed photometric observations of the star SPICA in order to perform in-flight calibrations. All three aspects listed above were explored. We find that the instrument is still in good condition. The current sensitivity of 12 count/s/Rayleigh is sufficient to provide good signal to noise data. Off-axis responsivity is non-uniform and visibly differs from pre-flight determinations. At the same time the shape of the spatial sensitivity response is constant and can be used for all observations. Because of the rather wide FOV and spectral sensitivity of HDAC stellar contributions are always in the data. This leads to considerable disturbances in the measured signal during observations. In order to clean the data, we use the TD1 Catalog of Stellar Ultraviolet Fluxes. That allows us to estimate flux values around 120 nm for many bright UV stars. The developed software detects secondary local peaks and cleans the measurements visibly. HDAC is part of the Cassini UVIS instrument and is operated independently but

  13. Dependence of interstellar depletion on hydrogen column density - Possibilities and implications

    NASA Technical Reports Server (NTRS)

    Tarafdar, S. P.; Prasad, S. S.; Huntress, W. T., Jr.

    1983-01-01

    A reexamination of the observed column densities of various elements in diffuse clouds suggests that almost all elements including oxygen, nitrogen, sulfur, and argon may be depleted with respect to hydrogen in interstellar clouds with large hydrogen column density. The amount of depletion varies from element to element and increases with increasing column density of hydrogen nuclei. This result is in qualitative agreement with the depletion of oxygen and sulfur independently inferred from the gas phase chemistry of sulfur in dense clouds. The rate of increase of depletion with hydrogen column density implied by the present study is large. It is possible that observational selection effects may have amplified the real dependence on N(H). A broad spectrum of C/O ratios ranging from values greater than unity to values less than unity appears possible for interstellar clouds, which would have the effect of a large variation in chemical composition from cloud to cloud.

  14. Effects of hydrogen atom spin exchange collisions on atomic hydrogen maser oscillation frequency

    NASA Technical Reports Server (NTRS)

    Crampton, S. B.

    1979-01-01

    Frequency shifts due to collisions between hydrogen atoms in an atomic hydrogen maser frequency standard are studied. Investigations of frequency shifts proportional to the spin exchange frequency shift cross section and those proportional to the duration of exchange collisions are discussed. The feasibility of operating a hydrogen frequency standard at liquid helium temperatures is examined.

  15. Atomic hydrogen as a launch vehicle propellant

    NASA Technical Reports Server (NTRS)

    Palaszewski, Bryan A.

    1990-01-01

    An analysis of several atomic hydrogen launch vehicles was conducted. A discussion of the facilities and the technologies that would be needed for these vehicles is also presented. The Gross Liftoff Weights (GLOW) for two systems were estimated; their specific impulses (I sub sp) were 750 and 1500 lb (sub f)/s/lb(sub m). The atomic hydrogen launch vehicles were also compared to the currently planned Advanced Launch System design concepts. Very significant GLOW reductions of 52 to 58 percent are possible over the Advanced Launch System designs. Applying atomic hydrogen propellants to upper stages was also considered. Very high I(sub sp) (greater than 750 1b(sub f)/s/lb(sub m) is needed to enable a mass savings over advanced oxygen/hydrogen propulsion. Associated with the potential benefits of high I(sub sp) atomic hydrogen are several challenging problems. Very high magnetic fields are required to maintain the atomic hydrogen in a solid kilogauss (3 Tesla). Also the storage temperature of the propellant is 4 K. This very low temperature will require a large refrigeration facility for the launch vehicle. The design considerations for a very high recombination rate for the propellant are also discussed. A recombination rate of 210 cm/s is predicted for atomic hydrogen. This high recombination rate can produce very high acceleration for the launch vehicle. Unique insulation or segmentation to inhibit the propellant may be needed to reduce its recombination rate.

  16. Atoms in carbon cages as a source of interstellar diffuse lines

    NASA Technical Reports Server (NTRS)

    Ballester, J. L.; Antoniewicz, P. R.; Smoluchowski, R.

    1990-01-01

    A model to describe the resonance absorption lines of various atoms trapped in closed carbon cages is presented. These systems may be responsible for some of the as yet unexplained diffuse interstellar bands. Model potentials for possible atom-C60 systems are obtained and used to calculate the resonance lines. The trapped atoms considered are O, N, Si, Mg, Al, Na, and S, and in all cases the resonance lines are shifted toward the red as compared to the isolated atoms. The calculated wavelengths are compared to the range of wavelengths observed for the diffuse interstellar bands, and good agreement is found for Mg and Si resonance lines. Other lines may be caused by other than resonance transitions or by trapped molecules. The oscillator strengths and the abundances are evaluated and compared with observation. Mechanisms to explain the observed band width of the lines and the existence of certain correlated pairs of lines are discussed.

  17. OBSERVATIONS OF THE INTERPLANETARY HYDROGEN DURING SOLAR CYCLES 23 AND 24. WHAT CAN WE DEDUCE ABOUT THE LOCAL INTERSTELLAR MEDIUM?

    SciTech Connect

    Vincent, Frédéric E.; Quémerais, Eric; Koutroumpa, Dimitra; Ben-Jaffel, Lotfi; Harris, Walter M.; Clarke, John

    2014-06-20

    Observations of interstellar helium atoms by the Interstellar Boundary Explorer (IBEX) spacecraft in 2009 reported a local interstellar medium (LISM) velocity vector different from the results of the Ulysses spacecraft between 1991 and 2002. The interplanetary hydrogen (IPH), a population of neutrals that fills the space between planets inside the heliosphere, carries the signatures of the LISM and its interaction with the solar wind. More than 40 yr of space-based studies of the backscattered solar Lyα emission from the IPH provided limited access to the velocity distribution, with the first temporal evolution map of the IPH line-shift during solar cycle 23. This work presents the results of the latest IPH observations made by the Hubble Space Telescope's Space Telescope Imaging Spectrograph during solar cycle 24. These results have been compiled with previous measurements, including data from the Solar Wind Anisotropies instrument on the Solar and Heliospheric Observatory. The whole set has been compared to physically realistic models to test both sets of LISM physical parameters as measured by Ulysses and IBEX, respectively. This comparison shows that the LISM velocity vector has not changed significantly since Ulysses measurements.

  18. From trihydrogen interstellar ion to hydrogen-oxygen reaction networks in terrestrial middle atmosphere

    NASA Astrophysics Data System (ADS)

    Varandas, A. J. C.

    After a brief overview on the generalized Born-Oppenheimer approximation and global modelling of electronic manifolds, we focus on two case histories. In the first, we report an accurate double-sheet potential energy surface1 and ro-vibrational calculations1,2 for the H3+(3A') ion which is of relevance in interstellar and plasma chemistries. In the second, we examine odd-hydrogen systems with up to five oxygen atoms which play a crucial role in the chemistry of the middle atmosphere. The premise will then be that all processes occur adiabatically on the relevant ground state potential energy surface, with the emphasis being on our recent observation that highly vibrationally excited spaecies such as O2(v) and OH (v) can hardly thermalize at such altitudes3, thus offering4 within this situation of local thermodynamic disequilibrium a possible clue for know mesospheric mysteries such as the ``ozone deficit problem'' and ``HOx dilemma''. We conclude with some remarks on continuing challenges and planned work.

  19. The galactic distribution (in radius and Z) of interstellar molecular hydrogen

    NASA Technical Reports Server (NTRS)

    Scoville, N. Z.; Solomon, P. M.; Sanders, D. B.

    1976-01-01

    Observations of the galactic longitude and latitude distributions of gamma = 2.6 mm CO emission are presented. Analysis of this spectral line data yields the large scale distribution of molecular clouds in the galactic disk and their z-distribution out of the disk. Strong maxima in the number of molecular clouds occur in the galactic nucleus and at galactic radii 4-8 kpc. The peak at 4-8 kpc correlates well with a region of enhanced 100 Mev gamma ray emissivity. This correlation strongly supports the conclusion that the gamma rays are produced as a result of cosmic ray interactions in molecular H2 clouds rather than HI. One important implication of this is that the interstellar magnetic field lines to which cosmic rays are confined must therefore not be excluded from these dense clouds. The width of the cloud layer perpendicular to galactic plane between half density points is 105 + or - 15 pc near the 5.5 kpc peak. The total mass of molecular gas in the interior of the galaxy exceeds that of atomic hydrogen.

  20. The Hydrogen Atom: The Rutherford Model

    NASA Astrophysics Data System (ADS)

    Tilton, Homer Benjamin

    1996-06-01

    Early this century Ernest Rutherford established the nuclear model of the hydrogen atom, presently taught as representing the best visual model after modification by Niels Bohr and Arnold Sommerfeld. It replaced the so-called "plum pudding" model of J. J. Thomson which held sway previously. While the Rutherford model represented a large step forward in our understanding of the hydrogen atom, questions remained, and still do.

  1. Laboratory Experiments on the Reactions of PAH Cations with Molecules and Atoms of Interstellar Interest

    NASA Technical Reports Server (NTRS)

    LePage, V.; Lee, H. S.; Bierbaum, V. M.; Snow, T. P.

    1996-01-01

    The C10H8(+) cation and its dehydrogenated derivatives, C10H7(+) and C10H6(+), have been studied using a selected ion flow tube (SIFT). Reactions with molecules and atoms of interstellar interest show that C10H8(+) reacts with N md O to give neutral products HCN and CO, respectively. C10H6(+) and C10H6(+) are moderately reactive and reactions proceed through association with molecules. The implications of these results for the depletion of C10H(n)(+) in the interstellar medium are briefly discussed.

  2. Energy storage possibilities of atomic hydrogen

    NASA Technical Reports Server (NTRS)

    Etters, R. D.; Dugan, J. V., Jr.; Palmer, R.

    1976-01-01

    Several recent experiments designed to produce and store macroscopic quantities of atomic hydrogen are discussed. The bulk, ground state properties of atomic hydrogen, deuterium, and tritium systems are calculated assuming that all pair interactions occur via the atomic triplet potential. The conditions required to obtain this system, including inhibition of recombination through the energetically favorable singlet interaction, are discussed. The internal energy, pressure, and compressibility are calculated applying the Monte Carlo technique with a quantum mechanical variational wavefunction. The system studied consisted of 32 atoms in a box with periodic boundary conditions. Results show that atomic triplet hydrogen and deuterium remain gaseous at 0 K; i.e., the internal energy is positive at all molar volumes considered.

  3. Solid Hydrogen Formed for Atomic Propellants

    NASA Technical Reports Server (NTRS)

    Palaszewski, Bryan A.

    2000-01-01

    Several experiments on the formation of solid hydrogen particles in liquid helium were recently conducted at the NASA Glenn Research Center at Lewis Field. The solid hydrogen experiments are the first step toward seeing these particles and determining their shape and size. The particles will ultimately store atoms of boron, carbon, or hydrogen, forming an atomic propellant. Atomic propellants will allow rocket vehicles to carry payloads many times heavier than possible with existing rockets or allow them to be much smaller and lighter. Solid hydrogen particles are preferred for storing atoms. Hydrogen is generally an excellent fuel with a low molecular weight. Very low temperature hydrogen particles (T < 4 K) can prevent the atoms from recombining, making it possible for their lifetime to be controlled. Also, particles that are less than 1 mm in diameter are preferred because they can flow easily into a pipe when suspended in liquid helium. The particles and atoms must remain at this low temperature until the fuel is introduced into the engine combustion (or recombination) chamber. Experiments were, therefore, planned to look at the particles and observe their formation and any changes while in liquid helium.

  4. Hydrogen as an atomic beam standard

    NASA Technical Reports Server (NTRS)

    Peters, H. E.

    1972-01-01

    After a preliminary discussion of feasibility, new experimental work with a hydrogen beam is described. A space focused magnetic resonance technique with separated oscillatory fields is used with a monochromatic beam of cold hydrogen atoms which are selected from a higher temperature source. The first resonance curves and other experimental results are presented. These results are interpreted from the point of view of accuracy potential and frequency stability, and are compared with hydrogen maser and cesium beam capabilities.

  5. The distribution of neutral hydrogen in the interstellar medium. 1: The data

    NASA Technical Reports Server (NTRS)

    Fruscione, Antonella; Hawkins, Isabel; Jelinsky, Patrick; Wiercigroch, Alexandria

    1994-01-01

    We compile, from the existing literature, the largest sample to date (842 data points) of hydrogen column density measurements, N(H I), of the gas in the interstellar medium. We include only results obtained from absorption measurements toward individual stars (594 in our sample) in an effort to construct a three-dimensional picture of the interstellar gas. We derive hydrogen column densities toward a fraction of the stars in the sample from published column density measurements of metal ions. A three-dimensional physical model derived from this data set will be presented in a companion paper. The observed stars span distances from a few parsecs to a few thousand parsecs, and more than half of the sample serves to describe the local interstellar medium within a few hundred parsecs of the Sun. Hydrogen column densities range from 10(exp 17) to 10(exp 22)/sq cm. We describe here the various observational methods used to estimate the hydrogen column densities and present the table with the stellar and hydrogen column density data. The provided table is intended as a global reference work, not to introduce new results.

  6. The heating of interstellar clouds by vibrationally excited molecular hydrogen

    NASA Technical Reports Server (NTRS)

    Stecher, T. P.; Williams, D. A.

    1972-01-01

    The possibility that vibrationally excited H2 may be collisionally de-excited, so providing a heating mechanism for interstellar clouds which operates by coupling the stellar radiation to the gas, is discussed. The majority of excitations in the Lyman and Werner bands of H2 return the molecules to the ground electronic state in a vibrationally excited level, the most favored level being 7. The heating rate obtained in this way is compared with other mechanisms which have been postulated, and the results of calculations of temperature as a function of depth into clouds of different densities are presented. It appears that this mechanism is a significant one, which should be taken into account in detailed models of dense clouds.

  7. Atomic hydrogen interaction with Ru(1010).

    PubMed

    Vesselli, E; Comelli, G; Rosei, R

    2004-05-01

    The interaction of atomic hydrogen with clean and deuterium precovered Ru(1010) was studied by means of temperature-programmed desorption (TPD) spectroscopy. Compared to molecular hydrogen experiments, after exposure of the clean surface to gas-phase atomic hydrogen at 90 K, two additional peaks grow in the desorption spectra at 115 and 150 K. The surface saturation coverage, determined by equilibrium between abstraction and adsorption reactions, is 2.5 monolayers. Preadsorbed deuterium abstraction experiments with gas-phase atomic hydrogen show that a pure Eley-Rideal mechanism is not involved in the process, while a hot atom (HA) kinetics describes well the reaction. By least-squares fitting of the experimental data, a simplified HA kinetic model yields an abstraction cross section value of 0.5 +/- 0.2 angstroms2. The atomic hydrogen interaction with an oxygen precovered surface was also studied by means of both TPD and x-ray photoelectron spectroscopy: oxygen hydrogenation and water production take place already at very low temperature (90 K).

  8. Atomic hydrogen as a launch vehicle propellant

    NASA Technical Reports Server (NTRS)

    Palaszewski, Bryan A.

    1990-01-01

    An analysis of several atomic hydrogen launch vehicles was conducted. A discussion of the facilities and the technologies that would be needed for these vehicles is also presented. The Gross Liftoff Weights (GLOW) for two systems were estimated; their specific impulses (I sub sp) were 750 and 1500 lb(sub f)/s/lb(sub m). The atomic hydrogen launch vehicles were also compared to the currently planned Advanced Launch System design concepts. Very significant GLOW reductions of 52 to 58 percent are possible over the Advanced Launch System designs. Applying atomic hydrogen propellants to upper stages was also considered. Very high I(sub sp) (greater than 750 lb(sub f)/s/lb(sub m)) is needed to enable a mass savings over advanced oxygen/hydrogen propulsion. Associated with the potential benefits of high I(sub sp) atomic hydrogen are several challenging problems. Very high magnetic fields are required to maintain the atomic hydrogen in a solid hydrogen matrix. The magnetic field strength was estimated to be 30 kilogauss (3 Tesla). Also the storage temperature of the propellant is 4 K. This very low temperature will require a large refrigeration facility for the launch vehicle. The design considerations for a very high recombination rate for the propellant are also discussed. A recombination rate of 210 cm/s is predicted for atomic hydrogen. This high recombination rate can produce very high acceleration for the launch vehicle. Unique insulation or segmentation to inhibit the propellant may be needed to reduce its recombination rate.

  9. Atomic hydrogen as a launch vehicle propellant

    SciTech Connect

    Palaszewski, B.A.

    1990-01-01

    An analysis of several atomic hydrogen launch vehicles was conducted. A discussion of the facilities and the technologies that would be needed for these vehicles is also presented. The Gross Liftoff Weights (GLOW) for two systems were estimated; their specific impulses (I{sub sp}) were 750 and 1500 lb{sub f}/s/lb{sub m}. The atomic hydrogen launch vehicles were also compared to the currently planned Advanced Launch System design concepts. Very significant GLOW reductions of 52 to 58 percent are possible over the Advanced Launch System designs. Applying atomic hydrogen propellants to upper stages was also considered. Very high I{sub sp} (greater than 750 lb{sub f}/s/lb{sub m}) is needed to enable a mass savings over advanced oxygen/hydrogen propulsion. Associated with the potential benefits of high I(sub sp) atomic hydrogen are several challenging problems. Very high magnetic fields are required to maintain the atomic hydrogen in a solid hydrogen matrix. The magnetic field strength was estimated to be 30 kilogauss (3 Tesla). Also the storage temperature of the propellant is 4 K. This very low temperature will require a large refrigeration facility for the launch vehicle. The design considerations for a very high recombination rate for the propellant are also discussed. A recombination rate of 210 cm/s is predicted for atomic hydrogen. This high recombination rate can produce very high acceleration for the launch vehicle. Unique insulation or segmentation to inhibit the propellant may be needed to reduce its recombination rate.

  10. Interstellar CH, CH+ and abundance of atomic species

    NASA Astrophysics Data System (ADS)

    Gnacinski, P.; Krogulec, M.; Krelowski, J.

    2007-12-01

    The CH molecule is the only one molecule from the visual spectral range observed in two ionisation stages. The production of CH+ is commonly assigned to shock fronts, since the reaction C+ + H2 -> CH+ + H is endothermic. Moreover a velocity difference between the CH and CH+ spectral lines is often observed. We compare the CH/CH+ column densities with that of neutral and ionised atoms. The CH column density correlates better with neutral atoms, while column density of CH+ correlates better with ionised ones.

  11. Carbonaceous dust in interstellar shock waves: hydrogenated amorphous carbon (a-C:H) vs. graphite

    NASA Astrophysics Data System (ADS)

    Serra Díaz-Cano, L.; Jones, A. P.

    2008-12-01

    Context: Observations of regions of the interstellar medium affected by shock waves indicate gas phase abundances of carbon that are close to solar. In quiescent regions less than half of the carbon is in the gas phase. Aims: We propose that hydrogenated amorphous carbon (a-C:H), in its many guises, is the most probable form of carbonaceous grain material in the interstellar medium and study its erosion in shock waves. Methods: We have used the physical properties typical of a-C:H materials, rather than graphite/amorphous carbon, to study a-C:H erosion during ion irradiation and fragmentation in grain-grain collisions. Using SRIM we study material-, surface- and size-dependent sputtering effects and introduce these effects into a shock model. Results: We find significantly greater destruction for a-C:H, than for graphite, a result that brings the models into better agreement with existing observations of shocked regions of the ISM. Carbon grain erosion in shock waves therefore appears to be much more efficient than predicted by existing models. Conclusions: Interstellar hydrogenated amorphous carbon dust is, apparently, rather easily destroyed in shocks and must therefore be more rapidly re-cycled and re-formed during its journey through the interstellar medium than previously-thought.

  12. Diffuse interstellar bands versus known atomic and molecular species in the interstellar medium of M82 toward SN 2014J

    SciTech Connect

    Welty, Daniel E.; York, Donald G.; Ritchey, Adam M.; Dahlstrom, Julie A.

    2014-09-10

    We discuss the absorption due to various constituents of the interstellar medium (ISM) of M82 seen in moderately high-resolution, high signal-to-noise ratio optical spectra of SN 2014J. Complex absorption from M82 is seen, at velocities 45 ≲ v {sub LSR} ≲ 260 km s{sup –1}, for Na I, K I, Ca I, Ca II, CH, CH{sup +}, and CN; many of the diffuse interstellar bands (DIBs) are also detected. Comparisons of the column densities of the atomic and molecular species and the equivalent widths of the DIBs reveal both similarities and differences in relative abundances, compared to trends seen in the ISM of our Galaxy and the Magellanic Clouds. Of the 10 relatively strong DIBs considered here, 6 (including λ5780.5) have strengths within ±20% of the mean values seen in the local Galactic ISM, for comparable N(K I); 2 are weaker by 20%-45% and 2 (including λ5797.1) are stronger by 25%-40%. Weaker than 'expected' DIBs (relative to N(K I), N(Na I), and E(B – V)) in some Galactic sight lines and toward several other extragalactic supernovae appear to be associated with strong CN absorption and/or significant molecular fractions. While the N(CH)/N(K I) and N(CN)/N(CH) ratios seen toward SN 2014J are similar to those found in the local Galactic ISM, the combination of high N(CH{sup +})/N(CH) and high W(5797.1)/W(5780.5) ratios has not been seen elsewhere. The centroids of many of the M82 DIBs are shifted relative to the envelope of the K I profile—likely due to component-to-component variations in W(DIB)/N(K I) that may reflect the molecular content of the individual components. We compare estimates for the host galaxy reddening E(B – V) and visual extinction A {sub V} derived from the various interstellar species with the values estimated from optical and near-IR photometry of SN 2014J.

  13. Ubiquitous argonium (ArH+) in the diffuse interstellar medium: A molecular tracer of almost purely atomic gas

    NASA Astrophysics Data System (ADS)

    Schilke, P.; Neufeld, D. A.; Müller, H. S. P.; Comito, C.; Bergin, E. A.; Lis, D. C.; Gerin, M.; Black, J. H.; Wolfire, M.; Indriolo, N.; Pearson, J. C.; Menten, K. M.; Winkel, B.; Sánchez-Monge, Á.; Möller, T.; Godard, B.; Falgarone, E.

    2014-06-01

    Aims: We describe the assignment of a previously unidentified interstellar absorption line to ArH+ and discuss its relevance in the context of hydride absorption in diffuse gas with a low H2 fraction. The confidence of the assignment to ArH+ is discussed, and the column densities are determined toward several lines of sight. The results are then discussed in the framework of chemical models, with the aim of explaining the observed column densities. Methods: We fitted the spectral lines with multiple velocity components, and determined column densities from the line-to-continuum ratio. The column densities of ArH+ were compared to those of other species, tracing interstellar medium (ISM) components with different H2 abundances. We constructed chemical models that take UV radiation and cosmic ray ionization into account. Results: Thanks to the detection of two isotopologues, 36ArH+ and 38ArH+, we are confident about the carrier assignment to ArH+. NeH+ is not detected with a limit of [NeH+]/[ArH+] ≤ 0.1. The derived column densities agree well with the predictions of chemical models. ArH+ is a unique tracer of gas with a fractional H2 abundance of 10-4 - 10-3 and shows little correlation to H2O+, which traces gas with a fractional H2 abundance of ≈0.1. Conclusions: A careful analysis of variations in the ArH+, OH+, H2O+, and HF column densities promises to be a faithful tracer of the distribution of the H2 fractional abundance by providing unique information on a poorly known phase in the cycle of interstellar matter and on its transition from atomic diffuse gas to dense molecular gas traced by CO emission. Abundances of these species put strong observational constraints upon magnetohydrodynamical (MHD)simulations of the interstellar medium, and potentially could evolve into a tool characterizing the ISM. Paradoxically, the ArH+ molecule is a better tracer of almost purely atomic hydrogen gas than Hi itself, since Hi can also be present in gas with a significant

  14. Location of hydrogen atoms in hydronium jarosite

    NASA Astrophysics Data System (ADS)

    Spratt, Henry J.; Avdeev, Maxim; Pfrunder, Michael C.; McMurtrie, John; Rintoul, Llew; Martens, Wayde N.

    2014-07-01

    Various models for the crystal structure of hydronium jarosite were determined from Rietveld refinements against neutron powder diffraction patterns collected at ambient temperature and also single-crystal X-ray diffraction data. The possibility of a lower symmetry space group for hydronium jarosite that has been suggested by the literature was investigated. It was found the space group is best described as , the same for other jarosite minerals. The hydronium oxygen atom was found to occupy the site (3a Wyckoff site). Inadequately refined hydronium bond angles and bond distances without the use of restraints are due to thermal motion and disorder of the hydronium hydrogen atoms across numerous orientations. However, the acquired data do not permit a precise determination of these orientations; the main feature up/down disorder of hydronium is clear. Thus, the highest symmetry model with the least disorder necessary to explain all data was chosen: The hydronium hydrogen atoms were modeled to occupy an m (18 h Wyckoff site) with 50 % fractional occupancy, leading to disorder across two orientations. A rigid body description of the hydronium ion rotated by 60° with H-O-H bond angles of 112° and O-H distances of 0.96 Å was optimal. This rigid body refinement suggests that hydrogen bonds between hydronium hydrogen atoms and basal sulfate oxygen atoms are not predominant. Instead, hydrogen bonds are formed between hydronium hydrogen atoms and hydroxyl oxygen atoms. The structure of hydronium alunite is expected to be similar given that alunite supergroup minerals are isostructural.

  15. IUE observations of hydrogen and deuterium in the local interstellar medium

    NASA Technical Reports Server (NTRS)

    Murthy, J.; Henry, R. C.; Moos, H. W.; Landsman, W. B.; Linsky, J. L.

    1987-01-01

    High-resolution Ly-alpha spectra of the late-type stars Epsilon Eri, Procyon, Altair, Capella, and HR 1099 taken with the short-wavelength camera on IUE are presented. The density, velocity dispersion, and bulk velocity of the interstellar H I toward each of the stars is derived from the spectra. Lower limits on the deuterium-to-hydrogen ratio toward these stars are obtained.

  16. Interstellar molecules and dense clouds.

    NASA Technical Reports Server (NTRS)

    Rank, D. M.; Townes, C. H.; Welch, W. J.

    1971-01-01

    Current knowledge of the interstellar medium is discussed on the basis of recent published studies. The subjects considered include optical identification of interstellar molecules, radio molecular lines, interstellar clouds, isotopic abundances, formation and disappearance of interstellar molecules, and interstellar probing techniques. Diagrams are plotted for the distribution of galactic sources exhibiting molecular lines, for hydrogen molecule, hydrogen atom and electron abundances due to ionization, for the densities, velocities and temperature of NH3 in the direction of Sagitarius B2, for the lower rotational energy levels of H2CO, and for temporal spectral variations in masing H2O clouds of the radio source W49. Future applications of the maser and of molecular microscopy in this field are visualized.

  17. UV irradiated hydrogenated amorphous carbon (HAC) materials as a carrier candidate of the interstellar UV bump at 217.5 nm

    NASA Astrophysics Data System (ADS)

    Gadallah, K. A. K.; Mutschke, H.; Jäger, C.

    2011-04-01

    Context. Hydrogenated amorphous carbon (HAC) materials have been considered as a laboratory analog of cosmic carbonaceous nanoparticles in the interstellar medium (ISM). In the diffuse ISM, UV radiation can modify the electronic and atomic structure of HAC materials. Aims: Studying structural and optical properties of HAC materials in correlation with UV processing is very important to understand more clearly the effect of the UV radiation on carbonaceous dust grains in the diffuse ISM. This scenario can explain some astronomical spectral features such as the interstellar UV bump at 4.6 μm-1. Methods: Laser ablation has been used to produce nano-sized HAC materials which are subsequently irradiated by strong UV doses in a high vacuum. Transmission electron microscope images and spectroscopic analyses show the evolution of the internal structure of the material with the UV irradiation. Results: It is found that hydrogen content and the sp3/sp2 hybridization ratio decrease with the UV irradiation. The graphene layers become longer in processed materials. Also, graphitic fibers are observed in modified materials. The variation in the internal structure leads to dramatic changes in the spectral properties in the FUV-VIS range. The UV irradiation of HAC materials, coresponding to 21-33% of the average dose of the UV radiation in diffuse ISM, has produced a new band centered at 4.6 μm-1 (217.5 nm). Conclusions: Consequently, these results confirm for the first time the suggestion by Mennella et al. (1996) that irradiated HAC materials might be considered the carrier of the interstellar UV bump at 4.6 μm-1. However, so far the amount of carbon needed to produce the interstellar 4.6 μm-1 band is higher than that available for interstellar carbon dust grains. So the ideal structure of irradiated HAC materials that would produce a band of sufficient strength is not yet clear for the interstellar dust.

  18. Ionization of polarized hydrogen atoms

    SciTech Connect

    Alessi, J.G.

    1983-01-01

    Methods are discussed for the production of polarized H/sup -/ ions from polarized atoms produced in ground state atomic beam sources. Present day sources use ionizers of two basic types - electron ionizers for H/sup +/ Vector production followed by double charge exchange in a vapor, or direct H/sup -/ Vector production by charge exchange of H/sup 0/ with Cs/sup 0/. Both methods have ionization efficiencies of less than 0.5%. Ionization efficiencies in excess of 10% may be obtained in the future by the use of a plasma ionizer plus charge exchange in Cs or Sr vapor, or ionization by resonant charge exchange with a self-extracted D/sup -/ beam from a ring magnetron or HCD source. 36 references, 4 figures.

  19. The Violent Interstellar Medium in Dwarf Galaxies: Atomic Gas

    NASA Astrophysics Data System (ADS)

    Brinks, E.; Walter, F.

    1998-12-01

    We review the morphology of the warm, neutral ISM as observed in the 21 cm line of neutral hydrogen (H I) of several nearby, gas-rich (dIrr) galaxies. The H I emission is dominated by shell-like structures, most likely superbubbles produced by the combined effects of strong stellar winds followed by supernova explosions of stars more massive than M > 8 M-sun within a region of massive star formation, an OB association. Somewhat counter-intuitively, H I superbubbles grow to larger dimensions in dwarf galaxies than in large spiral galaxies like our own or M 31. This can be explained as follows. In dwarf galaxies, the gravitational potential is lower than in spirals. Hence, for similar H I velocity dispersions, the scaleheight of the H I layer will be larger. Then, for comparable H I surface densities, the volume density will be lower. Both effects facilitate the growth to large dimensions of shells in dwarf galaxies and explains why such shells are much less likely to break through the H I layer into the halo. Moreover, dwarf galaxies lack density waves and tend to be dominated by solid-body rotation. As a result, shells will persist much longer than in spirals. A comparison with other galaxies shows that the energies needed to create H I supershells are the same for all types of galaxies, the energy output of a typical star-forming region therefore not being related to its galactic environment, at least to first order. The overall statistical properties of the H I holes and shells in galaxies show clear trends with Hubble type (or rather mass), such as in their diameter distribution, expansion velocities and ages.

  20. Efficient surface formation route of interstellar hydroxylamine through NO hydrogenation. II. The multilayer regime in interstellar relevant ices

    NASA Astrophysics Data System (ADS)

    Fedoseev, G.; Ioppolo, S.; Lamberts, T.; Zhen, J. F.; Cuppen, H. M.; Linnartz, H.

    2012-08-01

    Hydroxylamine (NH2OH) is one of the potential precursors of complex pre-biotic species in space. Here, we present a detailed experimental study of hydroxylamine formation through nitric oxide (NO) surface hydrogenation for astronomically relevant conditions. The aim of this work is to investigate hydroxylamine formation efficiencies in polar (water-rich) and non-polar (carbon monoxide-rich) interstellar ice analogues. A complex reaction network involving both final (N2O, NH2OH) and intermediate (HNO, NH2O., etc.) products is discussed. The main conclusion is that hydroxyl-amine formation takes place via a fast and barrierless mechanism and it is found to be even more abundantly formed in a water-rich environment at lower temperatures. In parallel, we experimentally verify the non-formation of hydroxylamine upon UV photolysis of NO ice at cryogenic temperatures as well as the non-detection of NC- and NCO-bond bearing species after UV processing of NO in carbon monoxide-rich ices. Our results are implemented into an astrochemical reaction model, which shows that NH2OH is abundant in the solid phase under dark molecular cloud conditions. Once NH2OH desorbs from the ice grains, it becomes available to form more complex species (e.g., glycine and β-alanine) in gas phase reaction schemes.

  1. Moller Polarimetry with Atomic Hydrogen Targets

    SciTech Connect

    Eugene Chudakov; Vladimir Luppov

    2003-10-19

    A novel proposal of using polarized atomic hydrogen gas, stored in an ultra-cold magnetic trap, as the target for electron beam polarimetry based on Moller scattering is discussed. Such a target of practically 100% polarized electrons could provide a superb systematic accuracy of about 0.5% for beam polarization measurements. The feasibility studies for the CEBAF electron beam have been performed.

  2. Compact microwave cavity for hydrogen atomic clock

    NASA Technical Reports Server (NTRS)

    Zhang, Dejun; Zhang, Yan; Fu, Yigen; Zhang, Yanjun

    1992-01-01

    A summary is presented that introduces the compact microwave cavity used in the hydrogen atomic clock. Special emphasis is placed on derivation of theoretical calculating equations of main parameters of the microwave cavity. A brief description is given of several methods for discriminating the oscillating modes. Experimental data and respective calculated values are also presented.

  3. Interstellar Pickup Hydrogen Observations from the Pioneer 10 and 11 Plasma Analyzers

    NASA Technical Reports Server (NTRS)

    Mihalov, J. D.; Gazis, P. R.

    1995-01-01

    The Pioneer 10 and 11 Ames plasma analyzers included off-angle integrating counters used for the first exploration of magnetospheric plasmas at Jupiter and Saturn. When summed over multi-day intervals during interplanetary cruise, at times of relatively constant solar wind speed during 1972 to 1977, the resulting count rates show a dependence on acceptance energies of the plasma analyzer deflection plates. The count rates could be produced by energetic charged particles, solar wind protons moving at a large angle to the bulk flow, and interstellar pickup ions. We interpret the more energetic of two peaks that are sometimes observed as the signature of interstellar pickup hydrogen. This peak is located at just below twice the solar wind speed (V(sub SW)), when near 3 AU heliocentric distance, decreasing to just above V(sub SW) as the heliocentric distance increases. Also, in the 8 to 12 AU range of heliocentric distances, we identify the pickup hydrogen signature as a shelf that ends at an edge located below 2V(sub SW). During these observations, the spacecraft longitude relative to the upstream interstellar flow changes roughly from 25 deg, to 155 deg at the larger heliocentric distance. The peak at the smaller heliocentric distances is most consistent with a velocity distribution that is a shell in phase space, with limited thickening as the pickup ions are assimilated into the solar wind flow.

  4. Optical Polarization From Aligned Atoms As A Diagnostic Of Interstellar And Circumstellar Magnetic Fields

    NASA Astrophysics Data System (ADS)

    Yan, H.; Lazarian, A.

    2005-12-01

    Population among sublevels of the ground state of an atom is affected by radiative transitions induced by anisotropic radiation flux. Such aligned atoms precess in the external magnetic field and this affects properties of polarized radiation arising from both scattering and absorption by atoms. As the result the degree of light polarization depends on the direction of the magnetic field. This provides a perspective tool for studies of astrophysical magnetic fields using optical and UV polarimetry. We discuss the process of alignment that can be used to study magnetic fields in interplanetary medium, interstellar medium, circumstellar regions and quasars. To exemplify what atomic alignment can provide to the observers we consider synthetic data obtained with MHD simulations of comet wake.

  5. Changes in interstellar atomic abundances from the galactic plane to the halo

    NASA Technical Reports Server (NTRS)

    Jenkins, E. B.

    1982-01-01

    A few, specially selected interstellar absorption lines were measured in the high resolution, far ultraviolet spectra of 200 O and B type stars observed by the International Ultraviolet Explorer (IUE). For lines of sight extending beyond about 500 pc from the galactic plane, the abundance of singly ionized iron atoms increases relative to singly ionized sulfur. However, the relative abundances of singly ionized sulfur, silicon and aluminum do not seem to change appreciably. An explanation for the apparent increase of iron is the partial sputtering of material off the surfaces of dust grains by interstellar shocks. Another possibility might be that the ejecta from type I supernovae enrich the low density medium in the halo with iron.

  6. Hydrogenation of interstellar molecules: a survey for methylenimine (CH2NH).

    PubMed

    Dickens, J E; Irvine, W M; DeVries, C H; Ohishi, M

    1997-04-10

    Methylenimine (CH2NH) has been convincingly detected for the first time outside the Galactic center as part of a study of the hydrogenation of interstellar molecules. We have observed transitions from energy levels up to about 100 K above the ground state in the giant molecular clouds W51, Orion KL and G34.3 + 0.15. In addition, CH2NH was found at the " radical-ion peak" on the quiescent ridge of material in the Orion molecular cloud. The abundance ratio CH2NH/HCN at the radical-ion peak agrees with the predictions of recent gas-phase chemical models. This ratio is an order of magnitude higher in the warmer cloud cores, suggesting additional production pathways for CH2NH, probably on interstellar grains.

  7. Hydrogenation of interstellar molecules: a survey for methylenimine (CH2NH)

    NASA Technical Reports Server (NTRS)

    Dickens, J. E.; Irvine, W. M.; DeVries, C. H.; Ohishi, M.

    1997-01-01

    Methylenimine (CH2NH) has been convincingly detected for the first time outside the Galactic center as part of a study of the hydrogenation of interstellar molecules. We have observed transitions from energy levels up to about 100 K above the ground state in the giant molecular clouds W51, Orion KL and G34.3 + 0.15. In addition, CH2NH was found at the " radical-ion peak" on the quiescent ridge of material in the Orion molecular cloud. The abundance ratio CH2NH/HCN at the radical-ion peak agrees with the predictions of recent gas-phase chemical models. This ratio is an order of magnitude higher in the warmer cloud cores, suggesting additional production pathways for CH2NH, probably on interstellar grains.

  8. Lyman-alpha observations of the interplanetary hydrogen: support of a NASA sounding rocket program and study of the local interstellar medium

    NASA Astrophysics Data System (ADS)

    Vincent, Frederic

    2013-10-01

    Our proposal is to use the Hubble Space Telescope Imaging Spectrograph {HST /STIS} over a single orbit to make Lyman-alpha observations of the interplanetary hydrogen {IPH} during the April period of this year {2014}.These measurements will provide wavelength and flux calibration, in order to support the HYPE instrument {Hydrogen Polarimetric Explorer} that is planned to make spectro-polarimetric observations in April during a suborbital flight of a NASA sounding rocket {grant NNX08AI98G}. Cross-calibration will also be made with the SWAN instrument {Solar Wind Anisotropies} on the SOHO satellite {Solar and Heliospheric Observatory}. SWAN can provide flux calibration but without any spectral information, so only HST/STIS can provide the wavelength calibration.Moreover the scientific controversy on the physical properties of the local interstellar medium {LISM} is still going on. The recent observations of interstellar helium atoms by IBEX {Interstellar Boundaries Explorer} suggest that the LISM velocity vector may vary over time. Such a change should impact the bulk velocity of interplanetary hydrogen and should be detected by HST /STIS.

  9. Atomic line emission analyzer for hydrogen isotopes

    DOEpatents

    Kronberg, J.W.

    1993-03-30

    Apparatus for isotopic analysis of hydrogen comprises a low pressure chamber into which a sample of hydrogen is introduced and then exposed to an electrical discharge to excite the electrons of the hydrogen atoms to higher energy states and thereby cause the emission of light on the return to lower energy states, a Fresnel prism made at least in part of a material anomalously dispersive to the wavelengths of interest for dispersing the emitted light, and a photodiode array for receiving the dispersed light. The light emitted by the sample is filtered to pass only the desired wavelengths, such as one of the lines of the Balmer series for hydrogen, the wavelengths of which differ slightly from one isotope to another. The output of the photodiode array is processed to determine the relative amounts of each isotope present in the sample. Additionally, the sample itself may be recovered using a metal hydride.

  10. Atomic line emission analyzer for hydrogen isotopes

    DOEpatents

    Kronberg, James W.

    1993-01-01

    Apparatus for isotopic analysis of hydrogen comprises a low pressure chamber into which a sample of hydrogen is introduced and then exposed to an electrical discharge to excite the electrons of the hydrogen atoms to higher energy states and thereby cause the emission of light on the return to lower energy states, a Fresnel prism made at least in part of a material anomalously dispersive to the wavelengths of interest for dispersing the emitted light, and a photodiode array for receiving the dispersed light. The light emitted by the sample is filtered to pass only the desired wavelengths, such as one of the lines of the Balmer series for hydrogen, the wavelengths of which differ slightly from one isotope to another. The output of the photodiode array is processed to determine the relative amounts of each isotope present in the sample. Additionally, the sample itself may be recovered using a metal hydride.

  11. Atomic line emission analyzer for hydrogen isotopes

    DOEpatents

    Kronberg, J.W.

    1991-05-08

    Apparatus for isotopic analysis of hydrogen comprises a low pressure chamber into which a sample of hydrogen is introduced and then exposed to an electrical discharge to excite the electrons of the hydrogen atoms to higher energy states and thereby cause the emission of light on the return to lower energy states, a Fresnel prism made at least in part of a material anomalously dispersive to the wavelengths of interest for dispersing the emitted light, and a photodiode array for receiving the dispersed light. The light emitted by the sample is filtered to pass only the desired wavelengths, such as one of the lines of the Balmer series for hydrogen, the wavelengths of which differ slightly from one isotope to another. The output of the photodiode array is processed to determine the relative amounts of each isotope present in the sample. Additionally, the sample itself may be recovered using, a metal hydride.

  12. Quantum dynamics of the Eley-Rideal hydrogen formation reaction on graphite at typical interstellar cloud conditions.

    PubMed

    Casolo, Simone; Martinazzo, Rocco; Bonfanti, Matteo; Tantardini, Gian Franco

    2009-12-31

    Eley-Rideal formation of hydrogen molecules on graphite, as well as competing collision induced processes, are investigated quantum dynamically at typical interstellar cloud conditions, focusing in particular on gas-phase temperatures below 100 K, where much of the chemistry of the so-called diffuse clouds takes place on the surface of bare carbonaceous dust grains. Collisions of gas-phase hydrogen atoms with both chemisorbed and physisorbed species are considered using available potential energy surfaces (Sha et al., J. Chem. Phys.2002 116, 7158), and state-to-state, energy-resolved cross sections are computed for a number of initial vibrational states of the hydrogen atoms bound to the surface. Results show that (i) product molecules are internally hot in both cases, with vibrational distributions sharply peaked around few (one or two) vibrational levels, and (ii) cross sections for chemisorbed species are 2-3x smaller than those for physisorbed ones. In particular, we find that H(2) formation cross sections out of chemically bound species decrease steadily when the temperature drops below approximately 1000 K, and this is likely due to a quantum reflection phenomenon. This suggests that such Eley-Rideal reaction is all but efficient in the relevant gas-phase temperature range, even when gas-phase H atoms happen to chemisorb barrierless to the surface as observed, e.g., for forming so-called para dimers. Comparison with results from classical trajectory calculations highlights the need of a quantum description of the dynamics in the astrophysically relevant energy range, whereas preliminary results of an extensive first-principles investigation of the reaction energetics reveal the importance of the adopted substrate model.

  13. Hybrid simulations of the effects of interstellar pickup hydrogen on the solar wind termination shock

    NASA Technical Reports Server (NTRS)

    Liewer, P. C.; Goldstein, B. E.; Omidi, N.

    1993-01-01

    Hybrid (kinetic ions/fluid electrons) plasma simulations are used to study the effects of a population of energetic interstellar pickup hydrogen ions on the solar wind termination shock. The pickup hydrogen is treated as a second ion species in the simulations, and thus the effects of the pick-ups on the shock, as well as the effects of the shock on the pickups, are treated in a fully self-consistent manner. For quasi-perpendicular shocks with 10-20 percent pickup hydrogen the pickup ions manifest themselves in a small foot ahead of the shock ramp caused by pickup ion reflection. For oblique shocks with smaller angles between the field and the shock normal, a large fraction of the pickup ions are reflected and move back upstream where they excite large amplitude magnetosonic waves which steepen into shocklets. These backstreaming pickup ions may provide advance warning of a spacecraft encounter with the termination shock.

  14. Interstellar Hydrogen in Galaxies: Radio observations of neutral hydrogen yield valuable information on the properties of galaxies.

    PubMed

    Roberts, M S

    1974-02-01

    Measurement of the 21-cm line radiation originating from the interstellar neutral hydrogen in a galaxy yields information on the total mass and total hydrogen content of the galaxy. The ratio of these two quantities is correlated with structural type in the sense that the later type galaxies contain a higher fraction of their total mass in the form of interstellar hydrogen This ratio is one of the few physical parameters known to correlate with structural type. It need not, however, reflect an evolutionary sequence, such as more hydrogen implying a younger galaxy. Efficiency of conversion of hydrogen to stars can just as easily explain the correlation. Except for the very latest systems, the total mass of a spiral does not appear to be correlated with type. Red shifts of galaxies measured at optical wavelengths and at 21 cm are in excellent agreement. The form of the Doppler expression has been shown to hold over a wavelength range of 5 x 105. All spirals earlier than type Ir which have been studied with adequate resolution show a central minimum in their hydrogen distribution. The region of maximum projected HI surface density occurs at some distance from the center. In the earlier type spirals the optical arms are located in the region of this maximum surface density. In the later type spirals the maximum HI density and prominent optical arms are less well correlated and, at times, are anticorrelated. Detailed studies of the HI distribution and motions within a galaxy require the high relative resolution of beam synthesis arrays. We may expect significant new information from such studies, which are now in progress. Filled-aperture telescopes will supply the necessary observations at zero spacing and vital statistical information on large numbers of galaxies, peculiar systems and groups and clusters of galaxies. The two types of telescope systems will complement one another. In the near future we should have a much better description of spiral galaxies and, we

  15. Interstellar Antifreeze: Ethylene Glycol

    NASA Technical Reports Server (NTRS)

    Hollis, J. M.; Lovas, F. J.; Jewell, P. R.; Coudert, L. H.

    2002-01-01

    Interstellar ethylene glycol (HOCH2CH2,OH) has been detected in emission toward the Galactic center source Sagittarius B2(N-LMH) by means of several millimeter-wave rotational torsional transitions of its lowest energy conformer. The types and kinds of molecules found to date in interstellar clouds suggest a chemistry that favors aldehydes and their corresponding reduced alcohols-e.g., formaldehyde (H2CO)/methanol (CH3OH), acetaldehyde (CH3CHO)/ethanol (CH3CH2OH). Similarly, ethylene glycol is the reduced alcohol of glycolaldehyde (CH2OHCHO), which has also been detected toward Sgr B2(N-LMH). While there is no consensus as to how any such large complex molecules are formed in the interstellar clouds, atomic hydrogen (H) and carbon monoxide (CO) could form formaldehyde on grain surfaces, but such surface chemistry beyond that point is uncertain. However, laboratory experiments have shown that the gas-phase reaction of atomic hydrogen (H) and solid-phase CO at 10-20 K can produce formaldehyde and methanol and that alcohols and other complex molecules can be synthesized from cometary ice analogs when subject to ionizing radiation at 15 K. Thus, the presence of aldehyde/ reduced alcohol pairs in interstellar clouds implies that such molecules are a product of a low-temperature chemistry on grain surfaces or in grain ice mantles. This work suggests that aldehydes and their corresponding reduced alcohols provide unique observational constraints on the formation of complex interstellar molecules.

  16. Infrared emission from hydrogenated amorphous carbon and amorphous carbon grains in the interstellar medium

    NASA Technical Reports Server (NTRS)

    Duley, W. W.; Jones, A. P.; Taylor, S. D.; Williams, D. A.

    1993-01-01

    The correlations deduced by Boulanger et al. (1990) from IRAS maps of the Chamaeleon, Taurus and Ursa Major molecular cloud complexes are interpreted in terms of the evolutionary hydrogenated amorphous carbon model of interstellar dust. In particular, regions of relatively strong 12-micron emission may be regions where recently accreted carbon is being converted by ambient UV to small PAHs in situ. Regions of weak 12-micron emission are probably quiescent regions where carbon has been annealed to amorphous carbon. Observational consequences of these inferences are briefly described.

  17. Cosmic-ray source and local interstellar spectra deduced from the isotopes of hydrogen and helium.

    NASA Technical Reports Server (NTRS)

    Comstock, G. M.; Hsieh, K. C.; Simpson, J. A.

    1972-01-01

    A self-consistent model for cosmic-ray hydrogen and helium propagation from the sources in the Galaxy to the orbit of earth is obtained, taking into account experimental information now available on the isotopes H-1, H-2, He-3, and He-4. The only adjustable parameters include the shape of the energy spectra of H-1 and He-4 at the time of source injection, the distribution of particle path lengths in interstellar space, and the solar modulation parameters. It is found that the allowed form of the source differential spectra of the H-1 and He-4 nuclei is dominated by a power law in total energy.

  18. Energetic neutral atom and interstellar flow observations with IBEX: Implications for the global heliosphere

    NASA Astrophysics Data System (ADS)

    Schwadron, N. A.; McComas, D. J.; Christian, E. R.; Desai, M. I.; Funsten, H. O.; Fuselier, S. A.; Moebius, E.; Reno, M.; Scherrer, J.; Zirnstein, E.

    2016-03-01

    Since launch in Oct. 2008, IBEX, with its two energetic neutral atom (ENA) cameras, has provided humankind with the first-ever global images of the complex boundary separating the heliosphere from the local interstellar medium (LISM). IBEX's energy-resolved all-sky maps, collected every six months, are yielding remarkable new insights into the heliospheres structure as it is shaped by the combined forces of the local interstellar flow, the local interstellar magnetic field (LISMF), and the evolving solar wind. IBEX has also acquired the first images of ENAs backscattered from the surface of the moon as well as global images of the magnetospheric response to solar wind disturbances. IBEX thus addresses all three Heliophysics science objectives set forth in the 2014 Science Plan for NASAs Science Mission Directorate (SMD) as well as the goals in the recent Solar and Space Physics Decadal Survey (NRC 2012). In addition, with the information it provides on the properties of the LISM and the LISMF, IBEX represents a unique bridge between heliophysics and astrophysics, and fills in critical knowledge for understanding the habitability of exoplanetary systems and the future habitability of Earth and the solar system. Because of the few-year time lag due to solar wind and ENA transport, IBEX observed the solar wind/ LISM interaction characteristic of declining phase/solar minimum conditions. In the continuing mission, IBEX captures the response of the interstellar boundaries to the changing structure of the solar wind in its transition toward the "mini" solar maximum and possibly the decline into the next solar minimum. The continuing IBEX mission affords never-to-be-repeated opportunities to coordinate global imaging of the heliospheric boundary with in-situ measurements by the Voyagers as they pass beyond the heliopause and start to directly sample the LISM.

  19. Beam transport of low temperature atomic hydrogen

    NASA Astrophysics Data System (ADS)

    Kaufman, W. A.

    1993-12-01

    Analytic calculations and particle tracking simulations are presented for a polarized atomic hydrogen beam produced by extraction from an ultra-cold (T=300 mK) helium film coated cell in a large solenoidal magnetic field (12 T). Initial focusing of states 1 and 2 by the solenoidal field and subsequent focusing by a sextupole are examined within the constraints imposed by the requirements of the polarized jet for the experiments NEPTUN and NEPTUN-A at UNK.

  20. Solid Hydrogen Experiments for Atomic Propellants

    NASA Technical Reports Server (NTRS)

    Palaszewski, Bryan

    2001-01-01

    This paper illustrates experiments that were conducted on the formation of solid hydrogen particles in liquid helium. Solid particles of hydrogen were frozen in liquid helium, and observed with a video camera. The solid hydrogen particle sizes, their molecular structure transitions, and their agglomeration times were estimated. article sizes of 1.8 to 4.6 mm (0.07 to 0. 18 in.) were measured. The particle agglomeration times were 0.5 to 11 min, depending on the loading of particles in the dewar. These experiments are the first step toward visually characterizing these particles, and allow designers to understand what issues must be addressed in atomic propellant feed system designs for future aerospace vehicles.

  1. Efficient surface formation route of interstellar hydroxylamine through NO hydrogenation. I. The submonolayer regime on interstellar relevant substrates.

    PubMed

    Congiu, E; Chaabouni, H; Laffon, C; Parent, P; Baouche, S; Dulieu, F

    2012-08-01

    Dust grains in the interstellar medium are known to serve as the first chemical laboratory where the rich inventory of interstellar molecules are synthesized. Here we present a study of the formation of hydroxylamine--NH(2)OH--via the non-energetic route NO + H (D) on crystalline H(2)O and amorphous silicate under conditions relevant to interstellar dense clouds. Formation of nitrous oxide (N(2)O) and water (H(2)O, D(2)O) is also observed and the reaction network is discussed. Hydroxylamine and water results are detected in temperature-programmed desorption (TPD) experiments, while N(2)O is detected by both reflection-absorption IR spectroscopy and TPD techniques. The solid state NO + H reaction channel proves to be a very efficient pathway to NH(2)OH formation in space and may be a potential starting point for prebiotic species in dark interstellar clouds. The present findings are an important step forward in understanding the inclusion of interstellar nitrogen into a non-volatile aminated species since NH(2)OH provides a solid state nitrogen reservoir along the whole evolutionary process of interstellar ices from dark clouds to planetary systems.

  2. Electron impact ionization rates for interstellar neutral H and He atoms near interplanetary shocks: Ulysses observations

    NASA Technical Reports Server (NTRS)

    Feldman, W. C.; Phillips, J. L.; Gosling, J. T.; Isenberg, P. A.

    1995-01-01

    During average solar wind flow conditions at 1 AU, ionization rates of interstellar neutrals that penetrate into the inner heliosphere are dominated by charge exchange with solar wind protons for H atoms, and by photoionization for He atoms. During occurrences of strong, coronal mass ejection (CME)-driven interplanetary shock waves near 1 AU, electron impact ionization can make substantial, if not dominating, contributions to interstellar neutral ionization rates in the regions downstream of the shocks. However, electron impact ionization is expected to be relatively less important with increasing heliocentric distance because of the decrease in electron temperature. Ulysses encountered many CME-driven shocks during its journey to and beyond Jupiter, and in addition, encountered a number of strong corotating interaction region (CIR) shocks. These shocks generally occur only beyond approximately 2 AU. Many of the CIR shocks were very strong rivalling the Earth's bow shock in electron heating. We have compared electron impact ionization rates calculated from electron velocity distributions measured downstream from CIR shocks using the Ulysses SWOOPS experiment to charge-exchange rates calculated from measured proton number fluxes and the photoionization rate estimated from an assumed solar photon spectrum typical of solar maximum conditions. We find that, although normally the ratio of electron-impact ionization rates to charge-exchange (for H) and to photoionization (for He) rates amounts to only about one and a few tens of percent, respectively, downstream of some of the stronger CIR shocks they amount to more than 10% and greater than 100%, respectively.

  3. The interstellar wind - Mariner 10 measurements of hydrogen /1216 A/ and helium /584 A/ interplanetary emission

    NASA Technical Reports Server (NTRS)

    Broadfoot, A. L.; Kumar, S.

    1978-01-01

    A set of unique observations of interplanetary emission at 1216 A and 584 A is presented which were made from Mariner 10 when that spacecraft was in interplanetary space on its way to Venus. The data provide simultaneous mapping of 1216-A hydrogen emission and 584-A helium emission, which allows a direct cross-correlation of these two aspects of the interstellar wind. The data are examined photometrically and compared with the principles of a simple model which provides a first-order understanding of the expected intensity variation over the celestial sphere. Hydrogen and helium sky maps are given which indicate the minima and maxima in emission intensity, a helium-focusing region in excess of 50 to 60 deg, and asymmetries in both emission profiles.

  4. The interaction of hydrogen with the {010} surfaces of Mg and Fe olivine as models for interstellar dust grains: a density functional theory study.

    PubMed

    Downing, C A; Ahmady, B; Catlow, C R A; de Leeuw, N H

    2013-07-13

    There is no consensus as yet to account for the significant presence of water on the terrestrial planets, but suggested sources include direct hydrogen adsorption from the parent molecular cloud after the planets' formation, and delivery of hydrous material via comets or asteroids external to the zone of the terrestrial planets. Alternatively, a more recent idea is that water may have directly adsorbed onto the interstellar dust grains involved in planetary formation. In this work, we use electronic structure calculations based on the density functional theory to investigate and compare the bulk and {010} surface structures of the magnesium and iron end-members of the silicate mineral olivine, namely forsterite and fayalite, respectively. We also report our results on the adsorption of atomic hydrogen at the mineral surfaces, where our calculations show that there is no activation barrier to the adsorption of atomic hydrogen at these surfaces. Furthermore, different surface sites activate the atom to form either adsorbed hydride or proton species in the form of hydroxy groups on the same surface, which indicates that these mineral surfaces may have acted as catalytic sites in the immobilization and reaction of hydrogen atoms to form dihydrogen gas or water molecules. PMID:23734054

  5. The interaction of hydrogen with the {010} surfaces of Mg and Fe olivine as models for interstellar dust grains: a density functional theory study

    PubMed Central

    Downing, C. A.; Ahmady, B.; Catlow, C. R. A.; de Leeuw, N. H.

    2013-01-01

    There is no consensus as yet to account for the significant presence of water on the terrestrial planets, but suggested sources include direct hydrogen adsorption from the parent molecular cloud after the planets’ formation, and delivery of hydrous material via comets or asteroids external to the zone of the terrestrial planets. Alternatively, a more recent idea is that water may have directly adsorbed onto the interstellar dust grains involved in planetary formation. In this work, we use electronic structure calculations based on the density functional theory to investigate and compare the bulk and {010} surface structures of the magnesium and iron end-members of the silicate mineral olivine, namely forsterite and fayalite, respectively. We also report our results on the adsorption of atomic hydrogen at the mineral surfaces, where our calculations show that there is no activation barrier to the adsorption of atomic hydrogen at these surfaces. Furthermore, different surface sites activate the atom to form either adsorbed hydride or proton species in the form of hydroxy groups on the same surface, which indicates that these mineral surfaces may have acted as catalytic sites in the immobilization and reaction of hydrogen atoms to form dihydrogen gas or water molecules. PMID:23734054

  6. Fourteen Years of Atomic Hydrogen from SABER

    NASA Astrophysics Data System (ADS)

    Hunt, L. A.; Mlynczak, M. G.

    2015-12-01

    We present results for atomic hydrogen in the mesopause region (80-100 km) derived from measurements made by the Sounding of the Atmosphere using Broadband Emission Radiometry (SABER) instrument on the TIMED satellite. SABER has been measuring the vertical distribution of infrared radiation emitted by various atmospheric gases for nearly 14 years, providing important information about chemical species, including atomic oxygen, atomic hydrogen, ozone and hydroxyl; temperature; and the radiation budget in the upper atmosphere. The methodology for the derivation of daytime and nighttime concentrations and volume mixing ratios will be presented. Zonal mean and global average daytime and nighttime concentrations of H, which demonstrate excellent agreement between 87 and 95 km, have been calculated and the results are compared with observations from the Solar Mesosphere Explorer (SME) satellite made nearly 30 years ago. Variability over the course of the SABER mission will be shown, including the apparent inverse dependence on the solar cycle, which stems from the temperature dependence of various reaction rate coefficients for H photochemistry. Results for H near solar max will be compared for Solar Cycles 23 and 24.

  7. Transition Probabilities for Hydrogen-Like Atoms

    NASA Astrophysics Data System (ADS)

    Jitrik, Oliverio; Bunge, Carlos F.

    2004-12-01

    E1, M1, E2, M2, E3, and M3 transition probabilities for hydrogen-like atoms are calculated with point-nucleus Dirac eigenfunctions for Z=1-118 and up to large quantum numbers l=25 and n=26, increasing existing data more than a thousandfold. A critical evaluation of the accuracy shows a higher reliability with respect to previous works. Tables for hydrogen containing a subset of the results are given explicitly, listing the states involved in each transition, wavelength, term energies, statistical weights, transition probabilities, oscillator strengths, and line strengths. The complete results, including 1 863 574 distinct transition probabilities, lifetimes, and branching fractions are available at http://www.fisica.unam.mx/research/tables/spectra/1el

  8. SEPARATION OF THE INTERSTELLAR BOUNDARY EXPLORER RIBBON FROM GLOBALLY DISTRIBUTED ENERGETIC NEUTRAL ATOM FLUX

    SciTech Connect

    Schwadron, N. A.; Kucharek, H.; Moebius, E. E-mail: harald.kucharek@unh.edu

    2011-04-10

    The Interstellar Boundary Explorer (IBEX) observes a remarkable feature, the IBEX ribbon, which has energetic neutral atom (ENA) flux over a narrow region {approx}20{sup 0} wide, a factor of 2-3 higher than the more globally distributed ENA flux. Here, we separate ENA emissions in the ribbon from the distributed flux by applying a transparency mask over the ribbon and regions of high emissions, and then solve for the distributed flux using an interpolation scheme. Our analysis shows that the energy spectrum and spatial distribution of the ribbon are distinct from the surrounding globally distributed flux. The ribbon energy spectrum shows a knee between {approx}1 and 4 keV, and the angular distribution is approximately independent of energy. In contrast, the distributed flux does not show a clear knee and more closely conforms to a power law over much of the sky. Consistent with previous analyses, the slope of the power law steepens from the nose to tail, suggesting a weaker termination shock toward the tail as compared to the nose. The knee in the energy spectrum of the ribbon suggests that its source plasma population is generated via a distinct physical process. Both the slope in the energy distribution of the distributed flux and the knee in the energy distribution of the ribbon are ordered by latitude. The heliotail may be identified in maps of globally distributed flux as a broad region of low flux centered {approx}44{sup 0}W of the interstellar downwind direction, suggesting heliotail deflection by the interstellar magnetic field.

  9. Positron impact ionization of atomic hydrogen

    SciTech Connect

    Acacia, P.; Campeanu, R.I.; Horbatsch, M.

    1993-05-01

    We will present integrated cross sections for ionization of atomic hydrogen by positrons. These have been calculated in a distorted-wave approximation using energy-dependent effective charges in the final channel as well as static and polarization potentials in the initial channel. We present two models for calculating the energy-dependent effective charges both of which produce results in good agreement with the recent experimental measurements of Spicher et al. This is in contrast to previous distorted-wave calculations which used fixed effective charges as well as classical trajectory calculations. Both of these latter methods produced results which were substantially below ours and the experimental data.

  10. ATOMIC HYDROGEN IN A GALACTIC CENTER OUTFLOW

    SciTech Connect

    McClure-Griffiths, N. M.; Green, J. A.; Hill, A. S.; Lockman, F. J.; Dickey, J. M.; Gaensler, B. M.; Green, A. J.

    2013-06-10

    We describe a population of small, high-velocity, atomic hydrogen clouds, loops, and filaments found above and below the disk near the Galactic center. The objects have a mean radius of 15 pc, velocity widths of {approx}14 km s{sup -1}, and are observed at |z| heights up to 700 pc. The velocity distribution of the clouds shows no signature of Galactic rotation. We propose a scenario where the clouds are associated with an outflow from a central star-forming region at the Galactic center. We discuss the clouds as entrained material traveling at {approx}200 km s{sup -1} in a Galactic wind.

  11. Functionalization of Carbon Nanotubes using Atomic Hydrogen

    NASA Technical Reports Server (NTRS)

    Khare, Bishun N.; Cassell, Alan M.; Nguyen, Cattien V.; Meyyappan, M.; Han, Jie; Arnold, Jim (Technical Monitor)

    2001-01-01

    We have investigated the irradiation of multi walled and single walled carbon nanotubes (SWNTs) with atomic hydrogen. After irradiating the SWNT sample, a band at 2940/cm (3.4 microns) that is characteristic of the C-H stretching mode is observed using Fourier transform infrared (FTIR) spectroscopy. Additional confirmation of SWNT functionalization is tested by irradiating with atomic deuterium. A weak band in the region 1940/cm (5.2 micron) to 2450/cm (4.1 micron) corresponding to C-D stretching mode is also observed in the FTIR spectrum. This technique provides a clean gas phase process for the functionalization of SWNTs, which could lead to further chemical manipulation and/or the tuning of the electronic properties of SWNTs for nanodevice applications.

  12. Isotope effects of hydrogen and atom tunnelling

    NASA Astrophysics Data System (ADS)

    Buchachenko, A. L.; Pliss, E. M.

    2016-06-01

    The abnormally high mass-dependent isotope effects in liquid-phase hydrogen (deuterium) atom transfer reactions, which are customarily regarded as quantum effects, are actually the products of two classical effects, namely, kinetic and thermodynamic ones. The former is determined by the rate constants for atom transfer and the latter is caused by nonbonded (or noncovalent) isotope effects in the solvation of protiated and deuterated reacting molecules. This product can mimic the large isotope effects that are usually attributed to tunnelling. In enzymatic reactions, tunnelling is of particular interest; its existence characterizes an enzyme as a rigid molecular machine in which the residence time of reactants on the reaction coordinate exceeds the waiting time for the tunnelling event. The magnitude of isotope effect becomes a characteristic parameter of the internal dynamics of the enzyme catalytic site. The bibliography includes 61 references.

  13. AGB circumstellar environments probed through the 21 cm atomic hydrogen line emission. A programme for the SKA?

    NASA Astrophysics Data System (ADS)

    Gerard, E.; Le Bertre, T.

    2006-06-01

    Red giant stars are responsible for 70% of the recycling of stellar matter in the local interstellar medium (ISM) through mass loss, mainly along the AGB sequence. Most of the matter in circumstellar shells is hydrogen in atomic (or molecular form). However, up to now, atomic hydrogen has remained largely undetected due to the weakness of its emission, the merging of circumstellar matter with the ambient ISM and the confusion from foreground and background interstellar hydrogen along the same line of sight. With the upgraded Nancay Radiotelescope, we have started a new search for HI at 21 cm towards AGB stars and post-AGBs, including PNs. We illustrate our results on one case, EP~Aqr, which shows that the contamination by interstellar emission must be treated with great care and discuss the prospects with the SKA. In order to sort out the genuine circumstellar HI emission from the interstellar one, it is necessary to map large areas of the sky (at all angular scales from sub-arcsec to degrees) with high spectral resolution, high sensitivity and a large dynamical range.

  14. The interstellar oxygen crisis, or where have all the oxygen atoms gone?

    NASA Astrophysics Data System (ADS)

    Wang, Shu; Li, Aigen; Jiang, B. W.

    2015-11-01

    The interstellar medium (ISM) seems to have a significant surplus of oxygen which was dubbed as the `O crisis': independent of the adopted interstellar reference abundance, the total number of O atoms depleted from the gas phase far exceeds that tied up in solids by as much as ˜160 ppm of O/H. Recently, it has been hypothesized that the missing O could be hidden in μm-sized H2O ice grains. We examine this hypothesis by comparing the infrared (IR) extinction and far-IR emission arising from these grains with that observed in the Galactic diffuse ISM. We find that it is possible for the diffuse ISM to accommodate ˜160 ppm of O/H in μm-sized H2O ice grains without violating the observational constraints including the absence of the 3.1 μm O-H absorption feature. More specifically, H2O ice grains of radii ˜4 μm and O/H = 160 ppm are capable of accounting for the observed flat extinction at ˜3-8 μm and produce no excessive emission in the far-IR. These grains could be present in the diffuse ISM through rapid exchange of material between dense molecular clouds where they form and diffuse clouds where they are destroyed by photosputtering.

  15. CIRCULARITY OF THE INTERSTELLAR BOUNDARY EXPLORER RIBBON OF ENHANCED ENERGETIC NEUTRAL ATOM (ENA) FLUX

    SciTech Connect

    Funsten, H. O.; Higdon, D. M.; Larsen, B. A.; Möbius, E. E-mail: dhigdon@lanl.gov; and others

    2013-10-10

    As a sharp feature in the sky, the ribbon of enhanced energetic neutral atom (ENA) flux observed by the Interstellar Boundary Explorer (IBEX) mission is a key signature for understanding the interaction of the heliosphere and the interstellar medium through which we are moving. Over five nominal IBEX energy passbands (0.7, 1.1, 1.7, 2.7, and 4.3 keV), the ribbon is extraordinarily circular, with a peak location centered at ecliptic (λ{sub RC}, β{sub RC}) = (219.°2 ± 1.°3, 39.°9 ± 2.°3) and a half cone angle of φ{sub C} = 74.°5 ± 2.°0. A slight elongation of the ribbon, generally perpendicular to the ribbon center-heliospheric nose vector and with eccentricity ∼0.3, is observed over all energies. At 4.3 keV, the ribbon is slightly larger and displaced relative to lower energies. For all ENA energies, a slice of the ribbon flux peak perpendicular to the circular arc is asymmetric and systematically skewed toward the ribbon center. We derive a spatial coherence parameter δ{sub C} ≤ 0.014 that characterizes the spatial uniformity of the ribbon over its extent in the sky and is a key constraint for understanding the underlying processes and structure governing the ribbon ENA emission.

  16. Energetic neutral atoms measured by the interstellar boundary explorer (IBEX): Evidence for multiple heliosheath populations

    SciTech Connect

    Desai, M. I.; Allegrini, F. A.; Dayeh, M. A.; Fuselier, S. A.; McComas, D. J.; Bzowski, M.; Kubiak, M. A.; Sokół, J. M.; Funsten, H.; Heerikhuisen, J.; Pogorelov, N. V.; Zank, G. P.; Zirnstein, E. J.; Schwadron, N. A.

    2014-01-01

    Energetic neutral atoms (ENAs) observed by the Interstellar Boundary Explorer (IBEX) provide powerful diagnostics about the origin of the progenitor ion populations and the physical mechanisms responsible for their production. In this paper, we extend the work of Desai et al. and Fuselier et al. and combine and compare ENA spectra from the first 3 yr of observations by the IBEX-Hi and -Lo ENA imagers along the lines-of-sight (LOSs) from the inner heliosphere through to the locations of Voyager 1 and 2 with results from an updated physics-based model of the three-dimensional heliosphere and its constituent ion populations. Our results show that (1) IBEX ENA fluxes and spectra above ∼0.7 keV measured along the LOSs of the Voyagers are consistent with several models in which the parent pickup ion (PUI) populations originate in the inner heliosheath, and (2) a significant fraction of lower energy ENAs between ∼0.1-0.5 keV may originate from interstellar neutral gas charge-exchanging with a non-thermalized (hot) population of PUIs in the outer heliosheath beyond the heliopause. We discuss the implications of ENAs observed by IBEX originating from distinct parent populations as well as from two distinct locations in the heliospheric interface. These results indicate that ENA spectral measurements at various energies can be used to remotely probe distinct physical processes operating in vastly different regions of the distant heliosphere.

  17. DIFFUSE ATOMIC AND MOLECULAR GAS IN THE INTERSTELLAR MEDIUM OF M82 TOWARD SN 2014J

    SciTech Connect

    Ritchey, Adam M.; Welty, Daniel E.; York, Donald G.; Dahlstrom, Julie A.

    2015-02-01

    We present a comprehensive analysis of interstellar absorption lines seen in moderately high resolution, high signal-to-noise ratio optical spectra of SN 2014J in M82. Our observations were acquired over the course of six nights, covering the period from ∼6 days before to ∼30 days after the supernova reached its maximum B-band brightness. We examine complex absorption from Na I, Ca II, K I, Ca I, CH{sup +}, CH, and CN, arising primarily from diffuse gas in the interstellar medium (ISM) of M82. We detect Li I absorption over a range in velocity consistent with that exhibited by the strongest Na I and K I components associated with M82; this is the first detection of interstellar Li in a galaxy outside of the Local Group. There are no significant temporal variations in the absorption-line profiles over the 37 days sampled by our observations. The relative abundances of the various interstellar species detected reveal that the ISM of M82 probed by SN 2014J consists of a mixture of diffuse atomic and molecular clouds characterized by a wide range of physical/environmental conditions. Decreasing N(Na I)/N(Ca II) ratios and increasing N(Ca I)/N(K I) ratios with increasing velocity are indicative of reduced depletion in the higher-velocity material. Significant component-to-component scatter in the N(Na I)/N(Ca II) and N(Ca I)/N(Ca II) ratios may be due to variations in the local ionization conditions. An apparent anti-correlation between the N(CH{sup +})/N(CH) and N(Ca I)/N(Ca II) ratios can be understood in terms of an opposite dependence on gas density and radiation field strength, while the overall high CH{sup +} abundance may be indicative of enhanced turbulence in the ISM of M82. The Li abundance also seems to be enhanced in M82, which supports the conclusions of recent gamma-ray emission studies that the cosmic-ray acceleration processes are greatly enhanced in this starburst galaxy.

  18. Reactions of Azine Anions with Nitrogen and Oxygen Atoms: Implications for Titan's Upper Atmosphere and Interstellar Chemistry.

    PubMed

    Wang, Zhe-Chen; Cole, Callie A; Demarais, Nicholas J; Snow, Theodore P; Bierbaum, Veronica M

    2015-08-26

    Azines are important in many extraterrestrial environments, from the atmosphere of Titan to the interstellar medium. They have been implicated as possible carriers of the diffuse interstellar bands in astronomy, indicating their persistence in interstellar space. Most importantly, they constitute the basic building blocks of DNA and RNA, so their chemical reactivity in these environments has significant astrobiological implications. In addition, N and O atoms are widely observed in the ISM and in the ionospheres of planets and moons. However, the chemical reactions of molecular anions with abundant interstellar and atmospheric atomic species are largely unexplored. In this paper, gas-phase reactions of deprotonated anions of benzene, pyridine, pyridazine, pyrimidine, pyrazine, and s-triazine with N and O atoms are studied both experimentally and computationally. In all cases, the major reaction channel is associative electron detachment; these reactions are particularly important since they control the balance between negative ions and free electron densities. The reactions of the azine anions with N atoms exhibit larger rate constants than reactions of corresponding chain anions. The reactions of azine anions with O atoms are even more rapid, with complex product patterns for different reactants. The mechanisms are studied theoretically by employing density functional theory; spin conversion is found to be important in determining some product distributions. The rich gas-phase chemistry observed in this work provides a better understanding of ion-atom reactions and their contributions to ionospheric chemistry as well as the chemical processing that occurs in the boundary layers between diffuse and dense interstellar clouds.

  19. Reactions of Azine Anions with Nitrogen and Oxygen Atoms: Implications for Titan's Upper Atmosphere and Interstellar Chemistry.

    PubMed

    Wang, Zhe-Chen; Cole, Callie A; Demarais, Nicholas J; Snow, Theodore P; Bierbaum, Veronica M

    2015-08-26

    Azines are important in many extraterrestrial environments, from the atmosphere of Titan to the interstellar medium. They have been implicated as possible carriers of the diffuse interstellar bands in astronomy, indicating their persistence in interstellar space. Most importantly, they constitute the basic building blocks of DNA and RNA, so their chemical reactivity in these environments has significant astrobiological implications. In addition, N and O atoms are widely observed in the ISM and in the ionospheres of planets and moons. However, the chemical reactions of molecular anions with abundant interstellar and atmospheric atomic species are largely unexplored. In this paper, gas-phase reactions of deprotonated anions of benzene, pyridine, pyridazine, pyrimidine, pyrazine, and s-triazine with N and O atoms are studied both experimentally and computationally. In all cases, the major reaction channel is associative electron detachment; these reactions are particularly important since they control the balance between negative ions and free electron densities. The reactions of the azine anions with N atoms exhibit larger rate constants than reactions of corresponding chain anions. The reactions of azine anions with O atoms are even more rapid, with complex product patterns for different reactants. The mechanisms are studied theoretically by employing density functional theory; spin conversion is found to be important in determining some product distributions. The rich gas-phase chemistry observed in this work provides a better understanding of ion-atom reactions and their contributions to ionospheric chemistry as well as the chemical processing that occurs in the boundary layers between diffuse and dense interstellar clouds. PMID:26281019

  20. Activation of extended red emission photoluminescence in carbon solids by exposure to atomic hydrogen and UV radiation

    NASA Technical Reports Server (NTRS)

    Furton, Douglas G.; Witt, Adolf N.

    1993-01-01

    We report on new laboratory results which relate directly to the observation of strongly enhanced extended red emission (ERE) by interstellar dust in H2 photodissociation zones. The ERE has been attributed to photoluminescence by hydrogenated amorphous carbon (HAC). We are demonstrating that exposure to thermally dissociated atomic hydrogen will restore the photoluminescence efficiency of previously annealed HAC. Also, pure amorphous carbon (AC), not previously photoluminescent, can be induced to photoluminesce by exposure to atomic hydrogen. This conversion of AC into HAC is greatly enhanced by the presence of UV irradiation. The presence of dense, warm atomic hydrogen and a strong UV radiation field are characteristic environmental properties of H2 dissociation zones. Our results lend strong support to the HAC photoluminescence explanation for ERE.

  1. Hydrogen atom in a laser-plasma

    NASA Astrophysics Data System (ADS)

    Falaye, Babatunde J.; Sun, Guo-Hua; Liman, Muhammed S.; Oyewumi, K. J.; Dong, Shi-Hai

    2016-11-01

    We scrutinize the behaviour of the eigenvalues of a hydrogen atom in a quantum plasma as it interacts with an electric field directed along θ  =  π and is exposed to linearly polarized intense laser field radiation. We refer to the interaction of the plasma with the laser light as laser-plasma. Using the Kramers–Henneberger (KH) unitary transformation, which is the semiclassical counterpart of the Block–Nordsieck transformation in the quantized field formalism, the squared vector potential that appears in the equation of motion is eliminated and the resultant equation is expressed in the KH frame. Within this frame, the resulting potential and the corresponding wavefunction have been expanded in Fourier series, and using Ehlotzky’s approximation we obtain a laser-dressed potential to simulate an intense laser field. By fitting the exponential-cosine-screened Coulomb potential into the laser-dressed potential, and then expanding it in Taylor series up to O≤ft({{r}4},α 09\\right) , we obtain the eigensolution (eigenvalues and wavefunction) of the hydrogen atom in laser-plasma encircled by an electric field, within the framework of perturbation theory formalism. Our numerical results show that for a weak external electric field and a very large Debye screening parameter length, the system is strongly repulsive, in contrast with the case for a strong external electric field and a small Debye screening parameter length, when the system is very attractive. This work has potential applications in the areas of atomic and molecular processes in external fields, including interactions with strong fields and short pulses.

  2. Reaction of O/sup +/, CO/sup +/, and CH/sup +/ ions with atomic hydrogen

    SciTech Connect

    Federer, W.; Villinger, H.; Howorka, F.; Lindinger, W.; Tosis, P.; Bassi, D.; Ferguson, E.

    1984-06-04

    Rate coefficients for reactions of the ions O/sup +/, CO/sup +/, and CH/sup +/ with atomic hydrogen have been measured for the first time at 300 K. This provides basic data for the ion chemistry of planetary atmospheres, cometary atmospheres, and interstellar molecular clouds. The O/sup +/+H measurement supports quantal calculations of this reaction. The CO/sup +/+H reaction provides an example of partial spin nonconservation in a charge-transfer reaction occurring in a deep potential well. Reactions of the same ions with H/sub 2/ that have been measured elsewhere are also reported.

  3. Atomic hydrogen propellants: Historical perspectives and future possibilities

    NASA Astrophysics Data System (ADS)

    Palaszewski, Bryan

    1993-02-01

    Atomic hydrogen, a very high density free-radical propellant, is anticipated to generate a specific impulse of 600-1500 lb-f sec/lb-mass performance; this may facilitate the development of unique launch vehicles. A development status evaluation is presently given for atomic hydrogen investigations. It is noted that breakthroughs are required in the production, storage, and transfer of atomic hydrogen, before this fuel can become a viable rocket propellant.

  4. Atomic hydrogen propellants: Historical perspectives and future possibilities

    NASA Technical Reports Server (NTRS)

    Palaszewski, Bryan

    1993-01-01

    Atomic hydrogen, a very high density free-radical propellant, is anticipated to generate a specific impulse of 600-1500 lb-f sec/lb-mass performance; this may facilitate the development of unique launch vehicles. A development status evaluation is presently given for atomic hydrogen investigations. It is noted that breakthroughs are required in the production, storage, and transfer of atomic hydrogen, before this fuel can become a viable rocket propellant.

  5. Thermal Reactions of Oxygen Atoms with Alkenes at Low Temperatures on Interstellar Dust

    NASA Astrophysics Data System (ADS)

    Ward, Michael D.; Price, Stephen D.

    2011-11-01

    Laboratory experiments show that the thermal heterogeneous reactions of oxygen atoms may contribute to the synthesis of epoxides in interstellar clouds. The data set also indicates that the contribution of these pathways to epoxide formation, in comparison to non-thermal routes, is likely to be strongly temperature dependent. Our results indicate that an increased abundance of epoxides, relative to the corresponding aldehydes, could be an observational signature of a significant contribution to molecular oxidation via thermal O atom reactions with alkenes. Specifically surface science experiments show that both C2H4O and C3H6O are readily formed from reactions of ethene and propene molecules with thermalized oxygen atoms at temperatures in the range of 12-90 K. It is clear from our experiments that these reactions, on a graphite surface, proceed with significantly reduced reaction barriers compared with those operating in the gas phase. For both the C2H4 + O and the C3H6 + O reactions, the surface reaction barriers we determine are reduced by approximately an order of magnitude compared with the barriers in the gas phase. The modeling of our experimental results, which determines these reaction barriers, also extracts desorption energies and rate coefficients for the title reactions. Our results clearly show that the major product from the O + C2H4 reaction is ethylene oxide, an epoxide.

  6. THERMAL REACTIONS OF OXYGEN ATOMS WITH ALKENES AT LOW TEMPERATURES ON INTERSTELLAR DUST

    SciTech Connect

    Ward, Michael D.; Price, Stephen D. E-mail: s.d.price@ucl.ac.uk

    2011-11-10

    Laboratory experiments show that the thermal heterogeneous reactions of oxygen atoms may contribute to the synthesis of epoxides in interstellar clouds. The data set also indicates that the contribution of these pathways to epoxide formation, in comparison to non-thermal routes, is likely to be strongly temperature dependent. Our results indicate that an increased abundance of epoxides, relative to the corresponding aldehydes, could be an observational signature of a significant contribution to molecular oxidation via thermal O atom reactions with alkenes. Specifically surface science experiments show that both C{sub 2}H{sub 4}O and C{sub 3}H{sub 6}O are readily formed from reactions of ethene and propene molecules with thermalized oxygen atoms at temperatures in the range of 12-90 K. It is clear from our experiments that these reactions, on a graphite surface, proceed with significantly reduced reaction barriers compared with those operating in the gas phase. For both the C{sub 2}H{sub 4} + O and the C{sub 3}H{sub 6} + O reactions, the surface reaction barriers we determine are reduced by approximately an order of magnitude compared with the barriers in the gas phase. The modeling of our experimental results, which determines these reaction barriers, also extracts desorption energies and rate coefficients for the title reactions. Our results clearly show that the major product from the O + C{sub 2}H{sub 4} reaction is ethylene oxide, an epoxide.

  7. In-Vacuum Dissociator for Atomic-Hydrogen Masers

    NASA Technical Reports Server (NTRS)

    Vessot, R. F.

    1987-01-01

    Thermal control and vacuum sealing achieved while contamination avoided. Simple, relatively inexpensive molecular-hydrogen dissociator for atomic-hydrogen masers used on Earth or in vacuum of space. No air cooling required, and absence of elastomeric O-ring seals prevents contamination. In-vacuum dissociator for atomic hydrogen masers, hydrogen gas in glass dissociator dissociated by radio-frequency signal transmitted from surrounding 3-turn coil. Heat in glass conducted away by contacting metal surfaces.

  8. The gravitational analogue to the hydrogen atom

    NASA Astrophysics Data System (ADS)

    Kober, Martin; Koch, Ben; Bleicher, Marcus

    2007-05-01

    This paper reports on a student summer project performed in 2006 at the University of Frankfurt. It is addressed to undergraduate students familiar with the basic principles of relativistic quantum mechanics and general relativity. The aim of the project was to study the Dirac equation in curved spacetime. To obtain the general relativistic Dirac equation we use the formulation of gravity as a gauge theory in the first part. After these general considerations we restrict the further discussion to the special case of the Schwarzschild metric. This setting corresponds to the hydrogen atom, with the electromagnetic field replaced by gravity. Although there is a singularity at the event horizon it turns out that a regular solution of the time-independent Dirac equation exists. Finally the Dirac equation is solved numerically using suitable boundary conditions. A summer study at the borders of quantum mechanics and general relativity.

  9. Strong absorption by interstellar hydrogen fluoride: Herschel/HIFI observations of the sight-line to G10.6-0.4 (W31C)

    NASA Astrophysics Data System (ADS)

    Neufeld, D. A.; Sonnentrucker, P.; Phillips, T. G.; Lis, D. C.; de Luca, M.; Goicoechea, J. R.; Black, J. H.; Gerin, M.; Bell, T.; Boulanger, F.; Cernicharo, J.; Coutens, A.; Dartois, E.; Kazmierczak, M.; Encrenaz, P.; Falgarone, E.; Geballe, T. R.; Giesen, T.; Godard, B.; Goldsmith, P. F.; Gry, C.; Gupta, H.; Hennebelle, P.; Herbst, E.; Hily-Blant, P.; Joblin, C.; Kołos, R.; Krełowski, J.; Martín-Pintado, J.; Menten, K. M.; Monje, R.; Mookerjea, B.; Pearson, J.; Perault, M.; Persson, C.; Plume, R.; Salez, M.; Schlemmer, S.; Schmidt, M.; Stutzki, J.; Teyssier, D.; Vastel, C.; Yu, S.; Cais, P.; Caux, E.; Liseau, R.; Morris, P.; Planesas, P.

    2010-07-01

    We report the detection of strong absorption by interstellar hydrogen fluoride along the sight-line to the submillimeter continuum source G10.6-0.4 (W31C). We have used Herschel's HIFI instrument, in dual beam switch mode, to observe the 1232.4763 GHz J = 1-0 HF transition in the upper sideband of the Band 5a receiver. The resultant spectrum shows weak HF emission from G10.6-0.4 at LSR velocities in the range -10 to -3 km s-1, accompanied by strong absorption by foreground material at LSR velocities in the range 15 to 50 km s-1. The spectrum is similar to that of the 1113.3430 GHz 111-000 transition of para-water, although at some frequencies the HF (hydrogen fluoride) optical depth clearly exceeds that of para-H2O. The optically-thick HF absorption that we have observed places a conservative lower limit of 1.6×1014 cm-2 on the HF column density along the sight-line to G10.6-0.4. Our lower limit on the HF abundance, 6×10-9 relative to hydrogen nuclei, implies that hydrogen fluoride accounts for between ~30% and 100% of the fluorine nuclei in the gas phase along this sight-line. This observation corroborates theoretical predictions that - because the unique thermochemistry of fluorine permits the exothermic reaction of F atoms with molecular hydrogen - HF will be the dominant reservoir of interstellar fluorine under a wide range of conditions. Herschel is an ESA space observatory with science instruments provided by European-led Principal Investigator consortia and with important participation from NASA.

  10. The interplanetary hydrogen and helium glow and the inferred interstellar gas properties

    NASA Technical Reports Server (NTRS)

    Judge, D. L.

    1983-01-01

    Observations of the interplanetary hydrogen and helium glow have been obtained by a number of spacecraft and rocket experiments during the past fifteen years. Important results have been established on the temperature, density, velocity, spatial dependence, and hydrogen to helium ratio. However, only four spacecraft launched to date are investigating the outer solar system and of these four the Pioneer 10 spacecraft is the farthest out at 28 A.U. Observations from this spacecraft at great distances have permitted an improved analysis of the effects which are only evident at large distances from the Sun. Perhaps the most significant result in this regard is the clear evidence of the importance of multiple scattering of solar Ly-alpha; an effect which has not been observed in earlier work. Ignoring this effect can lead to a gross overestimate of the local galactic glow. Current best estimates of the galactic glow and the local interstellar wind parameters obtained by the Pioneer 10 photometer at great distances are presented, in addition to complementary experimental observations of particular interest.

  11. ON THE APPARENT ASSOCIATIONS BETWEEN INTERSTELLAR NEUTRAL HYDROGEN STRUCTURE AND (WMAP) HIGH-FREQUENCY CONTINUUM EMISSION

    SciTech Connect

    Verschuur, Gerrit L.

    2010-03-10

    Galactic neutral hydrogen (H I) within a few hundred parsecs of the Sun contains structure with an angular distribution that is similar to small-scale structure observed by the Wilkinson Microwave Anisotropy Probe (WMAP). A total of 108 associated pairs of associated H I and WMAP features have now been cataloged using H I data mapped in 2 km s{sup -1} intervals and these pairs show a typical offset of 0.{sup 0}8. A large-scale statistical test for a direct association is carried out that casts little additional light on whether the these small offsets are merely coincidental or carry information. To pursue the issue further, the nature of several of the features within the foreground H I most closely associated with WMAP structure is examined in detail and it is shown that the cross-correlation coefficient for well-matched pairs of structures is of order unity. It is shown that free-free emission from electrons in unresolved density enhancements in interstellar space could theoretically produce high-frequency radio continuum radiation at the levels observed by WMAP and that such emission will appear nearly flat across the WMAP frequency range. Evidence for such structure in the interstellar medium already exists in the literature. Until higher angular resolution observations of the high-frequency continuum emission structure as well as the apparently associated H I structure become available, it may be difficult to rule out the possibility that some if not all the small-scale structure usually attributed to the cosmic microwave background may have a galactic origin.

  12. Atomic-scale control of graphene magnetism by using hydrogen atoms.

    PubMed

    González-Herrero, Héctor; Gómez-Rodríguez, José M; Mallet, Pierre; Moaied, Mohamed; Palacios, Juan José; Salgado, Carlos; Ugeda, Miguel M; Veuillen, Jean-Yves; Yndurain, Félix; Brihuega, Iván

    2016-04-22

    Isolated hydrogen atoms absorbed on graphene are predicted to induce magnetic moments. Here we demonstrate that the adsorption of a single hydrogen atom on graphene induces a magnetic moment characterized by a ~20-millielectron volt spin-split state at the Fermi energy. Our scanning tunneling microscopy (STM) experiments, complemented by first-principles calculations, show that such a spin-polarized state is essentially localized on the carbon sublattice opposite to the one where the hydrogen atom is chemisorbed. This atomically modulated spin texture, which extends several nanometers away from the hydrogen atom, drives the direct coupling between the magnetic moments at unusually long distances. By using the STM tip to manipulate hydrogen atoms with atomic precision, it is possible to tailor the magnetism of selected graphene regions.

  13. Reactions of substituted benzene anions with N and O atoms: Chemistry in Titan's upper atmosphere and the interstellar medium

    NASA Astrophysics Data System (ADS)

    Wang, Zhe-Chen; Bierbaum, Veronica M.

    2016-06-01

    The likely existence of aromatic anions in many important extraterrestrial environments, from the atmosphere of Titan to the interstellar medium (ISM), is attracting increasing attention. Nitrogen and oxygen atoms are also widely observed in the ISM and in the ionospheres of planets and moons. In the current work, we extend previous studies to explore the reactivity of prototypical aromatic anions (deprotonated toluene, aniline, and phenol) with N and O atoms both experimentally and computationally. The benzyl and anilinide anions both exhibit slow associative electron detachment (AED) processes with N atom, and moderate reactivity with O atom in which AED dominates but ionic products are also formed. The reactivity of phenoxide is dramatically different; there is no measurable reaction with N atom, and the moderate reactivity with O atom produces almost exclusively ionic products. The reaction mechanisms are studied theoretically by employing density functional theory calculations, and spin conversion is found to be critical for understanding some product distributions. This work provides insight into the rich gas-phase chemistry of aromatic ion-atom reactions and their relevance to ionospheric and interstellar chemistry.

  14. Reactions of substituted benzene anions with N and O atoms: Chemistry in Titan's upper atmosphere and the interstellar medium.

    PubMed

    Wang, Zhe-Chen; Bierbaum, Veronica M

    2016-06-01

    The likely existence of aromatic anions in many important extraterrestrial environments, from the atmosphere of Titan to the interstellar medium (ISM), is attracting increasing attention. Nitrogen and oxygen atoms are also widely observed in the ISM and in the ionospheres of planets and moons. In the current work, we extend previous studies to explore the reactivity of prototypical aromatic anions (deprotonated toluene, aniline, and phenol) with N and O atoms both experimentally and computationally. The benzyl and anilinide anions both exhibit slow associative electron detachment (AED) processes with N atom, and moderate reactivity with O atom in which AED dominates but ionic products are also formed. The reactivity of phenoxide is dramatically different; there is no measurable reaction with N atom, and the moderate reactivity with O atom produces almost exclusively ionic products. The reaction mechanisms are studied theoretically by employing density functional theory calculations, and spin conversion is found to be critical for understanding some product distributions. This work provides insight into the rich gas-phase chemistry of aromatic ion-atom reactions and their relevance to ionospheric and interstellar chemistry. PMID:27276954

  15. The ratio of deuterium to hydrogen in interstellar space. III - The lines of sight to Zeta Puppis and Gamma Cassiopeiae

    NASA Technical Reports Server (NTRS)

    Vidal-Madjar, A.; Laurent, C.; Bonnet, R. M.; York, D. G.

    1977-01-01

    An extensive set of measurements of the ratio of deuterium to hydrogen in the interstellar medium has been undertaken. The general observing program is described along with the data reduction techniques used to separate the complex deuterium and hydrogen profiles, and the results of the measurements for two stars, Zeta Pup and Gamma Cas. For Gamma Cas, log N(D)/N(H) is found to be approximately -4.8, in agreement with previous measurements. For Zeta Pup, a complicated structure of absorbing clouds in the interstellar medium is inferred. The best value of log N(D)/N(H) is about -4.6 for each of two components. One component is probably more complex than can be demonstrated directly at the resolution employed, and log N(D)N(H) could be -4.0 or larger in this component.

  16. Hirshfeld atom refinement for modelling strong hydrogen bonds.

    PubMed

    Woińska, Magdalena; Jayatilaka, Dylan; Spackman, Mark A; Edwards, Alison J; Dominiak, Paulina M; Woźniak, Krzysztof; Nishibori, Eiji; Sugimoto, Kunihisa; Grabowsky, Simon

    2014-09-01

    High-resolution low-temperature synchrotron X-ray diffraction data of the salt L-phenylalaninium hydrogen maleate are used to test the new automated iterative Hirshfeld atom refinement (HAR) procedure for the modelling of strong hydrogen bonds. The HAR models used present the first examples of Z' > 1 treatments in the framework of wavefunction-based refinement methods. L-Phenylalaninium hydrogen maleate exhibits several hydrogen bonds in its crystal structure, of which the shortest and the most challenging to model is the O-H...O intramolecular hydrogen bond present in the hydrogen maleate anion (O...O distance is about 2.41 Å). In particular, the reconstruction of the electron density in the hydrogen maleate moiety and the determination of hydrogen-atom properties [positions, bond distances and anisotropic displacement parameters (ADPs)] are the focus of the study. For comparison to the HAR results, different spherical (independent atom model, IAM) and aspherical (free multipole model, MM; transferable aspherical atom model, TAAM) X-ray refinement techniques as well as results from a low-temperature neutron-diffraction experiment are employed. Hydrogen-atom ADPs are furthermore compared to those derived from a TLS/rigid-body (SHADE) treatment of the X-ray structures. The reference neutron-diffraction experiment reveals a truly symmetric hydrogen bond in the hydrogen maleate anion. Only with HAR is it possible to freely refine hydrogen-atom positions and ADPs from the X-ray data, which leads to the best electron-density model and the closest agreement with the structural parameters derived from the neutron-diffraction experiment, e.g. the symmetric hydrogen position can be reproduced. The multipole-based refinement techniques (MM and TAAM) yield slightly asymmetric positions, whereas the IAM yields a significantly asymmetric position.

  17. Use of Hilbert Curves in Parallelized CUDA code: Interaction of Interstellar Atoms with the Heliosphere

    NASA Astrophysics Data System (ADS)

    Destefano, Anthony; Heerikhuisen, Jacob

    2015-04-01

    Fully 3D particle simulations can be a computationally and memory expensive task, especially when high resolution grid cells are required. The problem becomes further complicated when parallelization is needed. In this work we focus on computational methods to solve these difficulties. Hilbert curves are used to map the 3D particle space to the 1D contiguous memory space. This method of organization allows for minimized cache misses on the GPU as well as a sorted structure that is equivalent to an octal tree data structure. This type of sorted structure is attractive for uses in adaptive mesh implementations due to the logarithm search time. Implementations using the Message Passing Interface (MPI) library and NVIDIA's parallel computing platform CUDA will be compared, as MPI is commonly used on server nodes with many CPU's. We will also compare static grid structures with those of adaptive mesh structures. The physical test bed will be simulating heavy interstellar atoms interacting with a background plasma, the heliosphere, simulated from fully consistent coupled MHD/kinetic particle code. It is known that charge exchange is an important factor in space plasmas, specifically it modifies the structure of the heliosphere itself. We would like to thank the Alabama Supercomputer Authority for the use of their computational resources.

  18. Observations of absorption lines from highly ionized atoms. [of interstellar medium

    NASA Technical Reports Server (NTRS)

    Jenkins, Edward B.

    1987-01-01

    In the ultraviolet spectra of hot stars, absorption lines can be seen from highly ionized species in the interstellar medium. Observations of these features which have been very influential in revising the perception of the medium's various physical states, are discussed. The pervasiveness of O 6 absorption lines, coupled with complementary observations of a diffuse background in soft X-rays and EUV radiation, shows that there is an extensive network of low density gas (n approx. few x 0.001/cu cm) existing at coronal temperatures log T = 5.3 or 6.3. Shocks created by supernova explosions or mass loss from early-type stars can propagate freely through space and eventually transfer a large amount of energy to the medium. To create the coronal temperatures, the shocks must have velocities in excess of 150 km/sec; shocks at somewhat lower velocity (v = 100 km/sec) can be directly observed in the lines of Si3. Observations of other lines in the ultraviolet, such as Si 4V and C 5, may highlight the widespread presence of energetic UV radiation from very hot, dwarf stars. More advanced techniques in visible and X-ray astronomical spectroscopy may open up for inspection selected lines from atoms in much higher stages of ionization.

  19. Quantum Sticking of Atomic Hydrogen to Graphene

    NASA Astrophysics Data System (ADS)

    Zhang, Yanting; Doherty, Adam; Geragotelis, Andrew; Clougherty, Dennis

    2013-03-01

    We consider the low-energy behavior of the sticking probability of atomic hydrogen to suspended graphene. For energy transfer through the flexural modes of graphene, we find that the inelastic coupling falls in the subOhmic regime. Thus the effects of low-frequency fluctuations of the graphene sheet are crucially important for quantum sticking. We analytically solve for the low-energy asymptotic behavior of the sticking coefficient using a variational mean-field method [D.P. Clougherty and Y. Zhang, Phys. Rev. Lett. 109, 120401 (2012)]. We find that as a result of strong coupling to the low-frequency flexural modes of graphene, a new scaling law results. For suspended graphene at finite temperature, we find that at a critical incident energy, the sticking probability drops discontinuously; below this critical energy, the sticking probability is suppressed by the orthogonality catastrophe. We compare our nonperturbative variational results to those obtained by using Fermi's golden rule. We gratefully acknowledge support by the National Science Foundation under DMR-1062966.

  20. The one-dimensional hydrogen atom revisited

    NASA Astrophysics Data System (ADS)

    Palma, G.; Raff, U.

    2006-09-01

    The one-dimensional Schrodinger hydrogen atom is an interesting mathematical and physical problem for the study of bound states, eigenfunctions, and quantum-degeneracy issues. This one-dimensional physical system has given rise to some intriguing controversy for more than four decades. Presently, still no definite consensus seems to have been reached. We reanalyzed this apparently controversial problem, approaching it from a Fourier-transform representation method combined with some fundamental (basic) ideas found in self-adjoint extensions of symmetric operators. In disagreement with some previous claims, we found that the complete Balmer energy spectrum is obtained together with an odd-parity set of eigenfunctions. Closed-form solutions in both coordinate and momentum spaces were obtained. No twofold degeneracy was observed as predicted by the degeneracy theorem in one dimension, though it does not necessarily have to hold for potentials with singularities. No ground state with infinite energy exists since the corresponding eigenfunction does not satisfy the Schrodinger equation at the origin.

  1. Hydrogenation and dehydrogenation of interstellar PAHs: Spectral characteristics and H2 formation

    NASA Astrophysics Data System (ADS)

    Andrews, H.; Candian, A.; Tielens, A. G. G. M.

    2016-10-01

    Context. We have modelled the abundance distribution and IR emission of the first 3 members of the coronene family in the north-west photodissociation region of the well-studied reflection nebulae NGC 7023. Aims: Our aim was 3-fold: i) analyze the distribution of abundances; (ii) examine the spectral footprints from the hydrogenation state of polycyclic aromatic hydrocarbons (PAHs); and (iii) assess the role of PAHs in the formation of H2 in photodissociation regions. Methods: To model the physical conditions inside the cloud, we used the Meudon PDR Code, and we gave this as input to our kinetic model. We used specific molecular properties for each PAH, based on the latest data available at the present time. We considered the loss of an H atom or an H2 molecule as multiphoton processes, and we worked under the premise that PAHs with extra H atoms can form H2 through an Eley-Rideal abstraction mechanism. Results: In terms of abundances, we can distinguish clear differences with PAH size. The smallest PAH, coronene (C24H12), is found to be easily destroyed down to the complete loss of all of its H atoms. The largest species circumcircumcoronene (C96H24), is found in its normal hydrogenated state. The intermediate size molecule, circumcoronene (C54H18), shows an intermediate behaviour with respect to the other two, where partial dehydrogenation is observed inside the cloud. Regarding spectral variations, we find that the emission spectra in NGC 7023 are dominated by the variation in the ionization of the dominant hydrogenation state of each species at each point inside the cloud. It is difficult to "catch" the effect of dehydrogenation in the emitted PAH spectra since, for any conditions, only PAHs within a narrow size range will be susceptible to dehydrogenation, being quickly stripped off of all H atoms (and may isomerize to cages or fullerenes). The 3 μm region is the most sensitive one towards the hydrogenation level of PAHs. Conclusions: Based on our results, we

  2. Effects of hydrogen atoms on surface conductivity of diamond film

    SciTech Connect

    Liu, Fengbin Cui, Yan; Qu, Min; Di, Jiejian

    2015-04-15

    To investigate the effects of surface chemisorbed hydrogen atoms and hydrogen atoms in the subsurface region of diamond on surface conductivity, models of hydrogen atoms chemisorbed on diamond with (100) orientation and various concentrations of hydrogen atoms in the subsurface layer of the diamond were built. By using the first-principles method based on density functional theory, the equilibrium geometries and densities of states of the models were studied. The results showed that the surface chemisorbed hydrogen alone could not induce high surface conductivity. In addition, isolated hydrogen atoms in the subsurface layer of the diamond prefer to exist at the bond centre site of the C-C bond. However, such a structure would induce deep localized states, which could not improve the surface conductivity. When the hydrogen concentration increases, the C-H-C-H structure and C-3H{sub bc}-C structure in the subsurface region are more stable than other configurations. The former is not beneficial to the increase of the surface conductivity. However, the latter would induce strong surface states near the Fermi level, which would give rise to high surface conductivity. Thus, a high concentration of subsurface hydrogen atoms in diamond would make significant contributions to surface conductivity.

  3. A new and simple approach to determine the abundance of hydrogen molecules on interstellar ice mantles

    NASA Astrophysics Data System (ADS)

    Hincelin, U.; Chang, Q.; Herbst, E.

    2015-02-01

    Context. Water is usually the main component of ice mantles, which cover the cores of dust grains in cold portions of dense interstellar clouds. When molecular hydrogen is adsorbed onto an icy mantle through physisorption, a common assumption in gas-grain rate-equation models is to use an adsorption energy for molecular hydrogen on a pure water substrate. However, at high density and low temperature, when H2 is efficiently adsorbed onto the mantle, its surface abundance can be strongly overestimated if this assumption is still used. Unfortunately, the more detailed microscopic Monte Carlo treatment cannot be used to study the abundance of H2 in ice mantles if a full gas-grain network is utilized. Aims: We present a numerical method adapted for rate-equation models that takes into account the possibility that an H2 molecule can, while diffusing on the surface, find itself bound to another hydrogen molecule, with a far weaker bond than the H2-water bond, which can lead to more efficient desorption. We label the ensuing desorption "encounter desorption". Methods: The method is implemented first in a simple system consisting only of hydrogen molecules at steady state between gas and dust using the rate-equation approach and comparing the results with the results of a microscopic Monte Carlo calculation. We then discuss the use of the rate-equation approach with encounter desorption embedded in a complete gas-grain chemical network. Results: For the simple system, the rate-equation model with encounter desorption reproduces the H2 granular coverage computed by the microscopic Monte Carlo model at 10 K for a gas density from 104 to 1012 cm-3, and yields up to a factor 4 difference above 1012 cm-3. The H2 granular coverage is also reproduced by a complete gas-grain network. We use the rate-equation approach to study the gas-grain chemistry of cold dense regions with and without the encounter desorption mechanism. We find that the grain surface and gas phase species can be

  4. Surface characterization of silica glass substrates treated by atomic hydrogen

    SciTech Connect

    Inoue, Hiroyuki; Masuno, Atsunobu; Ishibashi, Keiji; Tawarayama, Hiromasa; Zhang, Yingjiu; Utsuno, Futoshi; Koya, Kazuo; Fujinoki, Akira; Kawazoe, Hiroshi

    2013-12-15

    Silica glass substrates with very flat surfaces were exposed to atomic hydrogen at different temperatures and durations. An atomic force microscope was used to measure root-mean-square (RMS) roughness and two-dimensional power spectral density (PSD). In the treatment with atomic hydrogen up to 900 °C, there was no significant change in the surface. By the treatment at 1000 °C, the changes in the RMS roughness and the PSD curves were observed. It was suggested that these changes were caused by etching due to reactions of atomic hydrogen with surface silica. By analysis based on the k-correlation model, it was found that the spatial frequency of the asperities became higher with an increase of the treatment time. Furthermore, the data showed that atomic hydrogen can flatten silica glass surfaces by controlling heat-treatment conditions. - Highlights: • Silica glass surface was treated by atomic hydrogen at various temperatures. • Surface roughness was measured by an atomic force microscope. • Roughness data were analyzed by two-dimensional power spectral density. • Atomic hydrogen can flatten silica glass surfaces.

  5. Atomic hydrogen adsorption on lithium-doped graphite surfaces

    SciTech Connect

    Allouche, Alain

    2012-01-01

    The effects of lithium doping of pristine and defective graphite surfaces on hydrogen adsorption are studied by the first-principles Plane-Wave Density Functional Theory. The surface defects are simulated by a single atomic vacancy. The DFT calculation is corrected for long-range effects through semi-empirical London terms for each constituent of the system. The lithium doping of the graphite surfaces notably reinforces hydrogen atom binding. Qualitative comparison with experimental results is given using the lithium 1s energy level shifts induced by the atomic vacancy and/or hydrogen trapping.

  6. VARIATIONS IN THE HELIOSPHERIC POLAR ENERGETIC NEUTRAL ATOM FLUX OBSERVED BY THE INTERSTELLAR BOUNDARY EXPLORER

    SciTech Connect

    Reisenfeld, D. B.; Janzen, P. H.; Allegrini, F.; McComas, D. J. E-mail: paul.janzen@umontana.edu E-mail: dmccomas@swri.org; and others

    2012-03-10

    The ecliptic poles are observed continuously by the Interstellar Boundary Explorer (IBEX); thus, it is possible to discern temporal variations in the energetic neutral atoms (ENAs) from the outer heliosphere on timescales much shorter than the time it takes for IBEX to generate a full sky map (six months). Observations indicate that the ENA flux from the polar directions incident at Earth has been steadily decreasing for the two-year period from 2008 December through 2011 February. Over the IBEX-Hi energy range, the decrease in flux is energy dependent, varying at the south ecliptic pole from no drop at 0.71 keV, to 70% at 1.1 keV. At higher energies the drop ranges between 10% and 50%. The decline observed at the north ecliptic pole is as high as 48%, also at 1.1 keV. The trend correlates with the steady decline in solar wind dynamic pressure observed at 1 AU between 2005 and 2009, the likely period when solar wind protons that provide the source for ENAs observed by IBEX would have been outbound from the Sun. We propose a method by which the correlation between the 1 AU solar wind dynamic pressure and the ENA-derived pressure within the inner heliosheath (IHS) can be used to estimate the distance to the termination shock and the thickness of the IHS in the direction of the ecliptic poles. Our new analysis based on IBEX data shows the TS distances to be 110 AU and 134 AU at the south and north poles, respectively, and the corresponding IHS thicknesses to be 55 AU and 82 AU. Our analysis is consistent with the notion that the observed ENA fluxes originate in the IHS and their variations are driven by the solar wind as it evolves through the solar cycle.

  7. Latitudinal and Energy Dependence of Energetic Neutral Atom Spectral Indices Measured by the Interstellar Boundary Explorer

    NASA Astrophysics Data System (ADS)

    Desai, M. I.; Allegrini, F.; Dayeh, M. A.; Funsten, H.; Heerikhuisen, J.; McComas, D. J.; Fuselier, S. A.; Pogorelov, N.; Schwadron, N. A.; Zank, G. P.; Zirnstein, E. J.

    2015-04-01

    We investigate the latitudinal and energy dependence of the globally distributed 0.5-6 keV energetic neutral atom (ENA) spectra measured by the Interstellar Boundary Explorer (IBEX) during the first 3 yrs of the mission. Our results are: (1) the ENA spectral indices at the two lowest energies (0.89 and 1.47 keV) exhibit no clear trend with ecliptic latitude θ, while those at ˜2.29 and ˜3.41 keV exhibit a clear latitudinal pattern; flatter spectra occur above 60° latitude and steeper spectra occur ±30° of the equator. (2) The latitudinal dependence of the spectral indices at different energies can be represented by the cosine function γ ={{a}0}+{{a}1}cos ({{a}2}θ ) with unique offsets, amplitudes, and phase angles; the higher energy ENA indices transition to successively larger amplitudes within ±45° of the equator. Our results confirm the previously reported latitudinal organization of the ENA spectra and their remarkable similarity to that of the solar wind (SW) speed observed by Ulysses in the inner heliosphere. While earlier studies showed that the ˜0.5-6 keV globally distributed ENA spectral indices could be represented as single power laws over much of the sky, our new results indicate that this is an over-simplification because the spectral indices have an energy and latitude dependence. This dependence is an important factor that must be taken into consideration by models and simulations that seek to map the IBEX ENA observations back to the latitudinal profile of the SW speed structure observed in the inner heliosphere.

  8. Atomic hydrogen and nitrogen distributions from atmosphere explorer measurements

    NASA Technical Reports Server (NTRS)

    Breig, Edward L.

    1992-01-01

    We were selective as to our approach to research activities, and devoted primary attention to two investigations concerning the global behavior of atomic hydrogen in the Earth's upper atmosphere. We derive the thermospheric concentration of H by applying the condition of charge-exchange equilibrium between hydrogen and oxygen atoms and ions to in-situ measurements of F-region composition and temperature from the series of Atmosphere Explorer (AE) aeronomy satellites. Progress and accomplishments on these chosen research projects are summarized.

  9. Muon transfer from hot muonic hydrogen atoms to neon

    SciTech Connect

    Jacot-Guillarmod, R. . Inst. de Physique); Bailey, J.M. ); Beer, G.A.; Knowles, P.E.; Mason, G.R.; Olin, A. ); Beveridge, J.L.; Marshall, G.M.; Brewer, J.H.; Forster, B.M. ); Huber, T.M. ); Kammel, P.; Zmeskal, J.

    1992-01-01

    A negative muon beam has been directed on adjacent solid layers of hydrogen and neon. Three targets differing by their deuterium concentration were investigated. Muonic hydrogen atoms can drift to the neon layer where the muon is immediately transferred. The time structure of the muonic neon X-rays follows the exponential law with a disappearance rate corresponding to the one of [mu][sup [minus]p] atoms in each target. The rates [lambda][sub pp[mu

  10. Ultra-cold methods for polarized atomic hydrogen

    SciTech Connect

    Luppov, V. G.; Arnold, J. D.; Blinov, B. B.; Gladycheva, S. E.; Krisch, A. D.; Lin, A. M. T.; Raymond, R. S.; Bychkov, M. A.; Fimushkin, V. V.; Mochalov, V. V.; Semenov, P. A.

    1998-01-20

    Using the ultra-cold electron-spin-polarized atomic hydrogen technique, one can produce a slow monochromatic beam for use as a polarized jet target. We will first review the development of the ultra-cold technique and then discuss the recent progress on Michigan's Mark-II ultra-cold proton-spin-polarized hydrogen jet target.

  11. Topics in atomic hydrogen standard research and applications

    NASA Technical Reports Server (NTRS)

    Peters, H. E.

    1971-01-01

    Hydrogen maser based frequency and time standards have been in continuous use at NASA tracking stations since February 1970, while laboratory work at Goddard has continued in the further development and improvement of hydrogen masers. Concurrently, experimental work has been in progress with a new frequency standard based upon the hydrogen atom using the molecular beam magnetic resonance method. Much of the hydrogen maser technology is directly applicable to the new hydrogen beam standard, and calculations based upon realistic data indicate that the accuracy potential of the hydrogen atomic beam exceeds that of either the cesium beam tube or the hydrogen maser, possibly by several orders of magnitude. In addition, with successful development, the hydrogen beam standard will have several other performance advantages over other devices, particularly exceptional stability and long continuous operating life. Experimental work with a new laboratory hydrogen beam device has recently resulted in the first resonance transition curves, measurements of relative state populations, beam intensities, etc. The most important aspects of both the hydrogen maser and the hydrogen beam work are covered.

  12. Absolute frequency of an atomic hydrogen maser clock

    NASA Technical Reports Server (NTRS)

    Peters, H. E.; Hall, R. G.; Percival, D. B.

    1972-01-01

    An accurate determination was made of the unperturbed atomic hydrogen ground state hyperfine transition frequency (F=1,m=0 - F=0,m=0) in reference to present world wide realizations of internationally defined time interval. In relation to the international atomic time system, the composite value is 1,420,405,751.7755 plus or minus 0.0031 HZ.

  13. Concerted hydrogen atom exchange between three HF molecules

    NASA Technical Reports Server (NTRS)

    Komornicki, Andrew; Dixon, David A.; Taylor, Peter R.

    1992-01-01

    The termolecular reaction involving concerted hydrogen-atom exchange between three HF molecules was investigated with particular attention given to the effects of correlation at the various stationary points along the reaction. Using large segmented Gaussian basis sets to locate the (HF)3 stationary points at the SCF level, the geometries of the stable hydrogen-bonded trimer, which is of C(3h) symmetry, were located, together with the transition state for hydrogen exchange, which is of D(3h) symmetry. Then, using a large atomic natural orbital basis and correlating all valence electrons, the energetics of the exchange reaction were evaluated at the correlated level.

  14. Characterization of an atomic hydrogen source for charge exchange experiments

    NASA Astrophysics Data System (ADS)

    Leutenegger, M. A.; Beiersdorfer, P.; Betancourt-Martinez, G. L.; Brown, G. V.; Hell, N.; Kelley, R. L.; Kilbourne, C. A.; Magee, E. W.; Porter, F. S.

    2016-11-01

    We characterized the dissociation fraction of a thermal dissociation atomic hydrogen source by injecting the mixed atomic and molecular output of the source into an electron beam ion trap containing highly charged ions and recording the x-ray spectrum generated by charge exchange using a high-resolution x-ray calorimeter spectrometer. We exploit the fact that the charge exchange state-selective capture cross sections are very different for atomic and molecular hydrogen incident on the same ions, enabling a clear spectroscopic diagnostic of the neutral species.

  15. Precision Spectroscopy of Atomic Hydrogen and the Proton Size Puzzle

    NASA Astrophysics Data System (ADS)

    Udem, Thomas

    2016-05-01

    Precise determination of transition frequencies of simple atomic systems are required for a number of fundamental applications such as tests of quantum electrodynamics (QED), the determination of fundamental constants and nuclear charge radii. The sharpest transition in atomic hydrogen occurs between the metastable 2S state and the 1S ground state. Its transition frequency has now been measured with almost 15 digits accuracy using an optical frequency comb and a cesium atomic clock as a reference. A recent measurement of the Lamb shift in muonic hydrogen is in significant contradiction to the hydrogen data if QED calculations are assumed to be correct. We hope to contribute to the resolution of this so called `proton size puzzle' by providing additional experimental input from the hydrogen side.

  16. Boussard Interstellar Ramjet Engine

    NASA Technical Reports Server (NTRS)

    2004-01-01

    The Boussard Interstellar Ramjet engine concept uses interstellar hydrogen scooped up from its environment as the spacecraft passes by to provide propellant mass. The hydrogen is then ionized and then collected by an electromagentic field. In this image, an onboard laser is uded to heat the plasma, and the laser or electron beam is used to trigger fusion pulses thereby creating propulsion.

  17. Cold atomic hydrogen in the inner galaxy

    NASA Technical Reports Server (NTRS)

    Dickey, J. M.; Garwood, R. W.

    1986-01-01

    The VLA is used to measure 21 cm absorption in directions with the absolute value of b less than 1 deg., the absolute value of 1 less than 25 deg. to probe the cool atomic gas in the inner galaxy. Abundant H I absorption is detected; typical lines are deep and narrow, sometimes blending in velocity with adjacent features. Unlike 21 cm emission not all allowed velocities are covered: large portions of the l-v diagram are optically thin. Although not similar to H I emission, the absorption shows a striking correspondence with CO emission in the inner galaxy: essentially every strong feature detected in one survey is seen in the other. The provisional conclusion is that in the inner galaxy most cool atomic gas is associated with molecular cloud complexes. There are few or no cold atomic clouds devoid of molecules in the inner galaxy, although these are common in the outer galaxy.

  18. Thermochemical nonequilibrium in atomic hydrogen at elevated temperatures

    NASA Technical Reports Server (NTRS)

    Scott, R. K.

    1972-01-01

    A numerical study of the nonequilibrium flow of atomic hydrogen in a cascade arc was performed to obtain insight into the physics of the hydrogen cascade arc. A rigorous mathematical model of the flow problem was formulated, incorporating the important nonequilibrium transport phenomena and atomic processes which occur in atomic hydrogen. Realistic boundary conditions, including consideration of the wall electrostatic sheath phenomenon, were included in the model. The governing equations of the asymptotic region of the cascade arc were obtained by writing conservation of mass and energy equations for the electron subgas, an energy conservation equation for heavy particles and an equation of state. Finite-difference operators for variable grid spacing were applied to the governing equations and the resulting system of strongly coupled, stiff equations were solved numerically by the Newton-Raphson method.

  19. Atomic hydrogen on Mars - Measurements at solar minimum

    NASA Technical Reports Server (NTRS)

    Levine, J. S.; Mcdougal, D. S.; Anderson, D. E., Jr.; Barker, E. S.

    1978-01-01

    The Copernicus Orbiting Astronomical Observatory was used to obtain measurements of Mars Lyman-alpha (1215.671-angstrom) emission at the solar minimum, which has resulted in the first information on atomic hydrogen concentrations in the upper atmosphere of Mars at the solar minimum. The Copernicus measurements, coupled with the Viking in situ measurements of the temperature (170 plus or minus 30 K) of the upper atmosphere of Mars, indicate that the atomic hydrogen number density at the exobase of Mars (250 kilometers) is about 60 times greater than that deduced from Mariner 6 and 7 Lyman-alpha measurements obtained during a period of high solar activity. The Copernicus results are consistent with Hunten's hypothesis of the diffusion-limited escape of atomic hydrogen from Mars.

  20. Sensor for measuring the atomic fraction in highly dissociated hydrogen

    SciTech Connect

    Gardner, W.L.

    1994-12-31

    Atomic hydrogen is a very important constituent for processes ranging from cleaning oxide from GaAs and annealing amorphous silicon to the deposition of diamond. Because the usual techniques for measuring atomic fraction are either expensive and cumbersome to use, or unsuitable for application to highly dissociated hydrogen, a specially designed sensor was developed. Sensor design is based on a diffusion tube with noncatalytic walls, having one end open to the atom source and a catalytic closure at the other end. The sensor is simple and inexpensive to fabricate, and determining atom density is straightforward. Sensor design also inhibits thermal runaway, which occurs when atom density is high enough to impart enough recombination energy to the non-catalytic surface to substantially raise its temperature. While recombination coefficients for such surfaces are very low near room temperature, they increase nearly exponentially with temperature unless actively cooled. With the use of a straightforward calibration scheme to determine the variation in species fraction along the diffusion tube, the atomic fraction at the tube opening is determined. Design strategy, implementation considerations, and calibration method are presented. In addition, data obtained from an atomic hydrogen source are compared to relevant published data.

  1. Proton form factor effects in hydrogenic atoms

    SciTech Connect

    Daza, F. Garcia; Kelkar, N. G.; Nowakowski, M.

    2011-10-21

    The proton structure corrections to the hyperfine splittings in electronic and muonic hydrogen are evaluated using the Breit potential with electromagnetic form factors. In contrast to other methods, the Breit equation with q{sup 2} dependent form factors is just an extension of the standard Breit equation which gives the hyperfine splitting Hamiltonian. Precise QED corrections are comparable to the structure corrections which therefore need to be evaluated ab initio.

  2. Atomic hydrogen distribution. [in Titan atmospheric model

    NASA Technical Reports Server (NTRS)

    Tabarie, N.

    1974-01-01

    Several possible H2 vertical distributions in Titan's atmosphere are considered with the constraint of 5 km-A a total quantity. Approximative calculations show that hydrogen distribution is quite sensitive to two other parameters of Titan's atmosphere: the temperature and the presence of other constituents. The escape fluxes of H and H2 are also estimated as well as the consequent distributions trapped in the Saturnian system.

  3. Ultra-cold methods for polarized atomic hydrogen

    SciTech Connect

    Luppov, V.G.; Arnold, J.D.; Blinov, B.B.; Bychkov, M.A.; Gladycheva, S.E.; Krisch, A.D.; Lin, A.M.; Raymond, R.S.; Fimushkin, V.V.; Bychkov, M.A.; Mochalov, V.V.; Semenov, P.A.

    1998-01-01

    Using the ultra-cold electron-spin-polarized atomic hydrogen technique, one can produce a slow monochromatic beam for use as a polarized jet target. We will first review the development of the ultra-cold technique and then discuss the recent progress on Michigan{close_quote}s Mark-II ultra-cold proton-spin-polarized hydrogen jet target. {copyright} {ital 1998 American Institute of Physics.}

  4. Interstellar Hydrogen Fluxes Measured by IBEX-Lo in 2009: Numerical Modeling and Comparison with the Data

    NASA Astrophysics Data System (ADS)

    Katushkina, O. A.; Izmodenov, V. V.; Alexashov, D. B.; Schwadron, N. A.; McComas, D. J.

    2015-10-01

    In this paper, we perform numerical modeling of the interstellar hydrogen fluxes measured by IBEX-Lo during orbit 23 (spring 2009) using a state-of-the-art kinetic model of the interstellar neutral hydrogen distribution in the heliosphere. This model takes into account the temporal and heliolatitudinal variations of the solar parameters as well as the non-Maxwellian kinetic properties of the hydrogen distribution due to charge exchange in the heliospheric interface. We found that there is a qualitative difference between the IBEX-Lo data and the modeling results obtained with the three-dimensional, time-dependent model. Namely, the model predicts a larger count rate in energy bin 2 (20-41 eV) than in energy bin 1 (11-21 eV), while the data shows the opposite case. We perform study of the model parameter effects on the IBEX-Lo fluxes and the ratio of fluxes in two energy channels. We show that the most important parameter, which has a major influence on the ratio of the fluxes in the two energy bins, is the solar radiation pressure. The parameter fitting procedure shows that the best agreement between the model result and the data occurs when the ratio of the solar radiation pressure to the solar gravitation, μ0, is {1.26}-0.076+0.06, and the total ionization rate of hydrogen at 1 AU is {β }E,0={3.7}-0.35+0.39× {10}-7 s-1. We have found that the value of μ0 is much larger than μ0 = 0.89, which is the value derived from the integrated solar Lyα flux data for the period of time studied. We discuss possible reasons for the differences.

  5. Muon transfer from hot muonic hydrogen atoms to neon

    SciTech Connect

    Jacot-Guillarmod, R.; Bailey, J.M.; Beer, G.A.; Knowles, P.E.; Mason, G.R.; Olin, A.; Beveridge, J.L.; Marshall, G.M.; Brewer, J.H.; Forster, B.M.; Huber, T.M.; Kammel, P.; Zmeskal, J.; Kunselman, A.R.; Petitjean, C.

    1992-12-31

    A negative muon beam has been directed on adjacent solid layers of hydrogen and neon. Three targets differing by their deuterium concentration were investigated. Muonic hydrogen atoms can drift to the neon layer where the muon is immediately transferred. The time structure of the muonic neon X-rays follows the exponential law with a disappearance rate corresponding to the one of {mu}{sup {minus}p} atoms in each target. The rates {lambda}{sub pp{mu}} and {lambda}{sub pd} can be extracted.

  6. Michigan ultra-cold polarized atomic hydrogen jet target

    NASA Astrophysics Data System (ADS)

    Blinov, B. B.; Gladycheva, S. E.; Kageya, T.; Kantsyrev, D. Yu.; Krisch, A. D.; Luppov, V. G.; Morozov, V. S.; Murray, J. R.; Raymond, R. S.; Borisov, N. S.; Fimushkin, V. V.; Grishin, V. N.; Mysnik, A. I.; Kleppner, D.

    2001-06-01

    To study spin effects in high energy collisions, we are developing an ultra-cold high-density jet target of proton-spin-polarized hydrogen atoms. The target uses a 12 Tesla magnetic field and a 0.3 K separation cell coated with superfluid helium-4 to produce a slow monochromatic electron-spin-polarized atomic hydrogen beam, which is then focused by a superconducting sextupole into the interaction region. In recent tests, we studied a polarized beam of hydrogen atoms focused by the superconducting sextupole into a compression tube detector, which measured the polarized atoms' intensity. The Jet produced, at the detector, a spin-polarized atomic hydrogen beam with a measured intensity of about 2.8.1015 H s-1 and a FWHM area of less than 0.13 cm2. This intensity corresponds to a free jet density of about 1.1012 H cm-3 with a proton polarization of about 50%. When the transition RF unit is installed, we expect a proton polarization higher than 90%. .

  7. Slow metastable atomic hydrogen beam by optical pumping

    NASA Astrophysics Data System (ADS)

    Harvey, K. C.

    1982-05-01

    A beam source of atomic hydrogen is described which produces metastable atoms in the 2S1/2 state by optical pumping. A beam flux of 1016 atoms/s is generated in the ground state. The atoms in the beam pass in front of a lamp producing Lyman-β (1026 Å) radiation, where some of them are excited to the 3P level and cascade with a branching ratio of 12% to the 2S1/2 state. The number of metastable atoms produced is measured by quenching them with an electric field and detecting the emitted Lyman-α (1216 Å) radiation. Beams of 106 metastable atoms/s were obtained. Using the Bethe-Lamb theory for the quenching process, a metastable beam effective temperature of 100 K was measured.

  8. Probing the heliosphere with energetic hydrogen atoms

    NASA Technical Reports Server (NTRS)

    Hsieh, K. C.; Shih, K. L.; Jokipii, J. R.; Grzedzielski, S.

    1992-01-01

    The idea of using energetic neutral atoms (ENAs), produced by charge exchange between energetic ions and ambient neutral atoms, as a diagnostic tool to investigate planetary magnetospheres from a distance has been extended to the investigation of the heliosphere. The paper explores what one can reasonably expect of the heliospheric ENA (HSENA) and what criteria would be imposed on HSENA instruments by concentrating on 10-10 exp 3 keV protons in quiet-time interplanetary space, solar-flare events, corotating interaction regions, and populations have distinctive signatures and that the detection of these particles can reveal energy spatial and propagation of ions in 3D interplanetary space, including the solar-wind termination shock. Such breadth of information could not be gained by in situ means.

  9. Hydrogen atom temperature measured with wavelength-modulated laser absorption spectroscopy in large scale filament arc negative hydrogen ion source

    SciTech Connect

    Nakano, H. Goto, M.; Tsumori, K.; Kisaki, M.; Ikeda, K.; Nagaoka, K.; Osakabe, M.; Takeiri, Y.; Kaneko, O.; Nishiyama, S.; Sasaki, K.

    2015-04-08

    The velocity distribution function of hydrogen atoms is one of the useful parameters to understand particle dynamics from negative hydrogen production to extraction in a negative hydrogen ion source. Hydrogen atom temperature is one of the indicators of the velocity distribution function. To find a feasibility of hydrogen atom temperature measurement in large scale filament arc negative hydrogen ion source for fusion, a model calculation of wavelength-modulated laser absorption spectroscopy of the hydrogen Balmer alpha line was performed. By utilizing a wide range tunable diode laser, we successfully obtained the hydrogen atom temperature of ∼3000 K in the vicinity of the plasma grid electrode. The hydrogen atom temperature increases as well as the arc power, and becomes constant after decreasing with the filling of hydrogen gas pressure.

  10. Photoionization of atoms and molecules. [of hydrogen, helium, and xenon

    NASA Technical Reports Server (NTRS)

    Samson, J. A. R.

    1976-01-01

    A literature review on the present state of knowledge in photoionization is presented. Various experimental techniques that have been developed to study photoionization, such as fluorescence and photoelectron spectroscopy, mass spectroscopy, are examined. Various atoms and molecules were chosen to illustrate these techniques, specifically helium and xenon atoms and hydrogen molecules. Specialized photoionization such as in positive and negative ions, excited states, and free radicals is also treated. Absorption cross sections and ionization potentials are also discussed.

  11. Observations of interstellar chlorine and phosphorus

    NASA Technical Reports Server (NTRS)

    Jura, M.; York, D. G.

    1978-01-01

    Copernicus observations of interstellar Cl I, Cl II, and P II UV lines toward 10 stars are reported. Column densities are estimated for each species, and upper limits are computed for HCl column densities. Derivation of the gas-phase abundances of chlorine and phosphorus indicates that the averages of both the chlorine and the phosphorus logarithmic abundances relative to hydrogen are between 5.0 and 5.1. It is suggested that interstellar chlorine may be depleted by about a factor of 3 relative to the solar abundance and that interstellar phosphorus is depleted by a factor of 2 to 3. The results are shown to support the prediction that chlorine is ionized in regions containing primarily atomic oxygen and is neutral in regions where there is a significant amount of molecular hydrogen. The photoionization rate of neutral chlorine toward 15 Mon is estimated, and it is concluded that most chlorine is contained within the gas phase.

  12. The galactic distribution (in radius and Z) of interstellar molecular hydrogen

    NASA Technical Reports Server (NTRS)

    Scoville, N. Z.; Solomon, P. M.; Sanders, D. B.

    1977-01-01

    Observations of the galactic longitude and latitude distributions of lambda = 2.6 mm CO emission are presented. Analysis of these spectral-line data yields the large-scale distribution of molecular clouds in the galactic disk and their z-distribution out of the disk. Strong maxima in the number of molecular clouds occur in the galactic nucleus and at galactic radii 4 to 8 kpc. The peak at 4 to 8 kpc correlates well with a region of enhanced 100-MeV gamma-ray emissivity. This correlation strongly supports the conclusion that the gamma-rays are produced as a result of cosmic ray interactions in molecular H2 clouds rather than in H(I). The width of the cloud layer perpendicular to the galactic plane between half-density points is 105 plus or minus 15 pc near the 5.5-kpc peak. The total mass of molecular gas in the interior of the galaxy exceeds that of atomic hydrogen and is 30 to the 9th power solar mass based on these observations.

  13. Variational Perturbation Treatment of the Confined Hydrogen Atom

    ERIC Educational Resources Information Center

    Montgomery, H. E., Jr.

    2011-01-01

    The Schrodinger equation for the ground state of a hydrogen atom confined at the centre of an impenetrable cavity is treated using variational perturbation theory. Energies calculated from variational perturbation theory are comparable in accuracy to the results from a direct numerical solution. The goal of this exercise is to introduce the…

  14. The Confined Hydrogen Atom with a Moving Nucleus

    ERIC Educational Resources Information Center

    Fernandez, Francisco M.

    2010-01-01

    We study the hydrogen atom confined to a spherical box with impenetrable walls but, unlike earlier pedagogical articles on the subject, we assume that the nucleus also moves. We obtain the ground-state energy approximately by means of first-order perturbation theory and show that it is greater than that for the case in which the nucleus is clamped…

  15. Probability of Locating the Electron in a Hydrogen Atom

    NASA Astrophysics Data System (ADS)

    Mak, Thomas C. W.; Li, Wai-Kee

    2000-04-01

    A variety of numerical problems, along with their solutions, regarding the probability of locating the electron in a hydrogen atom are given. These problems range from simple substitution exercises to graduate-level take-home questions. Comments on the physical meaning of some of the results are also provided. These problems may be easily modified by teachers to suit their purposes.

  16. Quantitative calculation of the absorption spectrum of the hydrogen atom

    NASA Astrophysics Data System (ADS)

    Ogilvie, J. F.; Fee, G. J.

    2014-03-01

    With mathematical software (Maple), we have calculated quantitatively the entire absorption spectrum of the hydrogen atom in its electronic ground state for transitions to both discrete and continuum states, within the purview of non-relativistic wave mechanics. We present plots of wave functions in both coordinate and momentum representations and the calculated spectra.

  17. Quantum-Classical Connection for Hydrogen Atom-Like Systems

    ERIC Educational Resources Information Center

    Syam, Debapriyo; Roy, Arup

    2011-01-01

    The Bohr-Sommerfeld quantum theory specifies the rules of quantization for circular and elliptical orbits for a one-electron hydrogen atom-like system. This article illustrates how a formula connecting the principal quantum number "n" and the length of the major axis of an elliptical orbit may be arrived at starting from the quantum…

  18. Solar wind/local interstellar medium interaction including charge exchange with neural hydrogen

    NASA Technical Reports Server (NTRS)

    Pauls, H. Louis; Zank, Gary P.

    1995-01-01

    We present results from a hydrodynamic model of the interaction of the solar wind with the local interstellar medium (LISM), self-consistently taking into account the effects of charge exchange between the plasma component and the interstellar neutrals. The simulation is fully time dependent, and is carried out in two or three dimensions, depending on whether the helio-latitudinal dependence of the solar wind speed and number density (both giving rise to three dimensional effects) are included. As a first approximation it is assumed that the neutral component of the flow can be described by a single, isotropic fluid. Clearly, this is not the actual situation, since charge exchange with the supersonic solar wind plasma in the region of the nose results in a 'second' neutral fluid propagating in the opposite direction as that of the LISM neutrals.

  19. Microwave plasma generation of hydrogen atoms for rocket propulsion

    NASA Technical Reports Server (NTRS)

    Chapman, R.; Filpus, J.; Morin, T.; Snellenberger, R.; Asmussen, J.; Hawley, M.; Kerber, R.

    1981-01-01

    A flow microwave plasma reaction system is used to study the conversion of hydrogen to hydrogen atoms as a function of pressure, power density, cavity tuning, cavity mode, and time in the plasma zone. Hydrogen atom concentration is measured down-stream from the plasma by NOCl titration. Extensive modeling of the plasma and recombination zones is performed with the plasma zone treated as a backmix reaction system and the recombination zone treated as a plug flow. The thermodynamics and kinetics of the recombination process are examined in detail to provide an understanding of the conversion of recombination energy to gas kinetic energy. It is found that cavity tuning, discharge stability, and optimum power coupling are critically dependent on the system pressure, but nearly independent of the flow rate.

  20. Atomic hydrogen doping in single-crystal vanadium dioxide

    NASA Astrophysics Data System (ADS)

    Ji, Heng; Hardy, Will; Wei, Jiang; Lin, Jian; Paik, Hanjong; Schlom, Darrell; Natelson, Douglas

    2014-03-01

    Vanadium dioxide is a strongly correlated material with a bulk metal-to-insulator transition (MIT) near 340 K. Previous experiments in single-crystal nanowires (J. Wei et al., Nature Nano. 7, 357-362 (2012)) have shown that catalytic doping with atomic hydrogen can stabilize the high temperature metallic state. In this experiment, we used a hot filament source to split hydrogen molecules and directly dope atomic hydrogen into VO2 material, including epitaxial films and nanowires, without any catalyst. From observations of the wire samples, we infer the relative diffusion rates of H in the monoclinic and rutile crystal structures. Transport measurements of the doped film samples show no temperature-driven transition, but rather a conducting state down to 2K. We present Hall and magnetoresistance measurements on macroscale and mesoscale devices fabricated from the doped films.

  1. Transition state geometry in radical hydrogen atom abstraction

    NASA Astrophysics Data System (ADS)

    Denisov, Evgenii T.; Shestakov, Alexander F.; Denisova, Taisa G.

    2012-12-01

    The interatomic distances in the transition states of radical hydrogen atom abstraction reactions X•+HY → XH+Y• determined by quantum chemical calculations are systematized and generalized. It is shown that depending on the reaction centre structure, these reactions can be subdivided into classes with the same X...Y interatomic distance in each class. The transition state geometries found by the methods of intersecting parabolas and intersecting Morse curves are also presented. The X...H...Y fragments are almost linear, the hydrogen atom position being determined by the reaction enthalpy. The effects of triplet repulsion, electronegativities and radii of X and Y atoms, the presence of adjoining π-bonds, and steric effects on the X...Y interatomic distances are analyzed and characterized. The bibliography includes 62 references.

  2. Atomic cobalt on nitrogen-doped graphene for hydrogen generation

    NASA Astrophysics Data System (ADS)

    Fei, Huilong; Dong, Juncai; Arellano-Jiménez, M. Josefina; Ye, Gonglan; Dong Kim, Nam; Samuel, Errol L. G.; Peng, Zhiwei; Zhu, Zhuan; Qin, Fan; Bao, Jiming; Yacaman, Miguel Jose; Ajayan, Pulickel M.; Chen, Dongliang; Tour, James M.

    2015-10-01

    Reduction of water to hydrogen through electrocatalysis holds great promise for clean energy, but its large-scale application relies on the development of inexpensive and efficient catalysts to replace precious platinum catalysts. Here we report an electrocatalyst for hydrogen generation based on very small amounts of cobalt dispersed as individual atoms on nitrogen-doped graphene. This catalyst is robust and highly active in aqueous media with very low overpotentials (30 mV). A variety of analytical techniques and electrochemical measurements suggest that the catalytically active sites are associated with the metal centres coordinated to nitrogen. This unusual atomic constitution of supported metals is suggestive of a new approach to preparing extremely efficient single-atom catalysts.

  3. Atomic hydrogen maser active oscillator cavity and bulb design optimization

    NASA Technical Reports Server (NTRS)

    Peters, H. E.; Washburn, P. J.

    1984-01-01

    The performance characteristics and reliability of the active oscillator atomic hydrogen maser depend upon oscillation parameters which characterize the interaction region of the maser, the resonant cavity and atom storage bulb assembly. With particular attention to use of the cavity frequency switching servo (1) to reduce cavity pulling, it is important to maintain high oscillation level, high atomic beam flux utilization efficiency, small spin exchange parameter and high cavity quality factor. It is also desirable to have a small and rigid cavity and bulb structure and to minimize the cavity temperature sensitivity. Curves for a novel hydrogen maser cavity configuration which is partially loaded with a quartz dielectric cylinder and show the relationships between cavity length, cavity diameter, bulb size, dielectric thickness, cavity quality factor, filling factor and cavity frequency temperature coefficient are presented. The results are discussed in terms of improvement in maser performance resulting from particular design choices.

  4. Atomic cobalt on nitrogen-doped graphene for hydrogen generation

    PubMed Central

    Fei, Huilong; Dong, Juncai; Arellano-Jiménez, M. Josefina; Ye, Gonglan; Dong Kim, Nam; Samuel, Errol L.G.; Peng, Zhiwei; Zhu, Zhuan; Qin, Fan; Bao, Jiming; Yacaman, Miguel Jose; Ajayan, Pulickel M.; Chen, Dongliang; Tour, James M.

    2015-01-01

    Reduction of water to hydrogen through electrocatalysis holds great promise for clean energy, but its large-scale application relies on the development of inexpensive and efficient catalysts to replace precious platinum catalysts. Here we report an electrocatalyst for hydrogen generation based on very small amounts of cobalt dispersed as individual atoms on nitrogen-doped graphene. This catalyst is robust and highly active in aqueous media with very low overpotentials (30 mV). A variety of analytical techniques and electrochemical measurements suggest that the catalytically active sites are associated with the metal centres coordinated to nitrogen. This unusual atomic constitution of supported metals is suggestive of a new approach to preparing extremely efficient single-atom catalysts. PMID:26487368

  5. Atomic cobalt on nitrogen-doped graphene for hydrogen generation.

    PubMed

    Fei, Huilong; Dong, Juncai; Arellano-Jiménez, M Josefina; Ye, Gonglan; Dong Kim, Nam; Samuel, Errol L G; Peng, Zhiwei; Zhu, Zhuan; Qin, Fan; Bao, Jiming; Yacaman, Miguel Jose; Ajayan, Pulickel M; Chen, Dongliang; Tour, James M

    2015-01-01

    Reduction of water to hydrogen through electrocatalysis holds great promise for clean energy, but its large-scale application relies on the development of inexpensive and efficient catalysts to replace precious platinum catalysts. Here we report an electrocatalyst for hydrogen generation based on very small amounts of cobalt dispersed as individual atoms on nitrogen-doped graphene. This catalyst is robust and highly active in aqueous media with very low overpotentials (30 mV). A variety of analytical techniques and electrochemical measurements suggest that the catalytically active sites are associated with the metal centres coordinated to nitrogen. This unusual atomic constitution of supported metals is suggestive of a new approach to preparing extremely efficient single-atom catalysts. PMID:26487368

  6. Evolution of energetic neutral atom spectra as measured by the Interstellar Boundary Explorer during its first seven years

    NASA Astrophysics Data System (ADS)

    Dayeh, Maher A.; Heerikhuisen, Jacob; McComas, David; Schwadron, Nathan; Desai, Mihir; Zirnstein, Eric J.

    2016-07-01

    The Interstellar Boundary Explorer (IBEX) mission continues to provide remote Energetic Neutral Atom (ENA) measurements produced by charge exchange between energetic protons and interstellar neutrals at the edge of our heliosphere. Using the first seven years of IBEX-Hi ENA measurements (January 2009 through December 2015), we examine the evolution of the spectral slopes in four different energy bands, namely, ˜0.7-1.1 keV, ˜1.1-1.7 keV, ˜1.7-2.7 keV, and ˜2.7-4.3 keV, across different regions of the sky. Results show that spectral slopes at each energy band are characterized with unique distribution properties (e.g., width, shape, and mode), which vary in time at different rates and in both directions (distribution modes increase or decrease). We attempt to explain these results in context of ENA source regions, solar wind temporal variations, and changes in the heliosheath thickness and its plasma properties. These results provide insights into ENA production mechanisms, properties of their plasma progenitors, and how they relate to changes in the solar wind.

  7. Reactivity and Catalytic Activity of Hydrogen Atom Chemisorbed Silver Clusters.

    PubMed

    Manzoor, Dar; Pal, Sourav

    2015-06-18

    Metal clusters of silver have attracted recent interest of researchers as a result of their potential in different catalytic applications and low cost. However, due to the completely filled d orbital and very high first ionization potential of the silver atom, the silver-based catalysts interact very weakly with the reacting molecules. In the current work, density functional theory calculations were carried out to investigate the effect of hydrogen atom chemisorption on the reactivity and catalytic properties of inert silver clusters. Our results affirm that the hydrogen atom chemisorption leads to enhancement in the binding energy of the adsorbed O2 molecule on the inert silver clusters. The increase in the binding energy is also characterized by the decrease in the Ag-O and increase in the O-O bond lengths in the case of the AgnH silver clusters. Pertinent to the increase in the O-O bond length, a significant red shift in the O-O stretching frequency is also noted in the case of the AgnH silver clusters. Moreover, the hydrogen atom chemisorbed silver clusters show low reaction barriers and high heat of formation of the final products for the environmentally important CO oxidation reaction as compared to the parent catalytically inactive clusters. The obtained results were compared with those of the corresponding gold and hydrogen atom chemisorbed gold clusters obtained at the same level of theory. It is expected the current computational study will provide key insights for future advances in the design of efficient nanosilver-based catalysts through the adsorption of a small atom or a ligand.

  8. The depletion of interstellar gaseous iron

    NASA Technical Reports Server (NTRS)

    Savage, B. D.; Bohlin, R. C.

    1979-01-01

    The Copernicus UV telescope was used to measure equivalent widths of interstellar Fe II resonance lines toward 55 early-type stars; the measurements permit the determination of Fe II column densities. The depletion of interstellar gaseous iron was obtained by combining these measurements with the results from a previous atomic and molecular hydrogen survey program; the derived depletions refer mostly to matter in H I regions. As an example, the nearly normal gaseous iron abundance in the distant high-latitude intermediate-velocity cloud toward HD 93521 is consistent with the idea that these clouds are produced by galactic supernova explosions.

  9. Electron-impact ionization of atomic hydrogen

    SciTech Connect

    Baertschy, Mark D.

    2000-02-14

    Since the invention of quantum mechanics, even the simplest example of collisional breakup in a system of charged particles, e{sup {minus}} + H {r_arrow} H{sup +} + e{sup {minus}} + e{sup {minus}}, has stood as one of the last unsolved fundamental problems in atomic physics. A complete solution requires calculating the energies and directions for a final state in which three charged particles are moving apart. Advances in the formal description of three-body breakup have yet to lead to a viable computational method. Traditional approaches, based on two-body formalisms, have been unable to produce differential cross sections for the three-body final state. Now, by using a mathematical transformation of the Schrodinger equation that makes the final state tractable, a complete solution has finally been achieved, Under this transformation, the scattering wave function can be calculated without imposing explicit scattering boundary conditions. This approach has produced the first triple differential cross sections that agree on an absolute scale with experiment as well as the first ab initio calculations of the single differential cross section.

  10. Propagation of acoustic waves in the partly ionized interstellar medium

    NASA Astrophysics Data System (ADS)

    Chalov, S. V.

    2014-07-01

    The properties of linear acoustic waves propagating in the interstellar medium, which is a mixture of electron-proton plasma and hydrogen atoms, are studied analytically. The plasma component interacts with hydrogen atoms through resonant charge exchange between the atoms and protons. To make the problem tractable, only short-wavelength disturbances are considered. Namely, the wavelength is assumed to be small as compared with the mean free path of atoms with respect to charge exchange. It is shown that short waves are damped out due to the charge exchange process, and the magnitude of decrement increases with the cross-section for charge exchange, number density of atoms and sound speed. In the first approximation, decrement does not depend on the wavelength, and acoustic waves are dispersionless. The advantage of our model is fully kinetic treatment of the interstellar atom motion.

  11. On the Formation of Interstellar Water Ice: Constraints from a Search for Hydrogen Peroxide Ice in Molecular Clouds

    NASA Technical Reports Server (NTRS)

    Smith, R. G.; Charnely, S. B.; Pendleton, Y. J.; Wright, C. M.; Maldoni, M. M.; Robinson, G.

    2011-01-01

    Recent surface chemistry experiments have shown that the hydrogenation of molecular oxygen on interstellar dust grains is a plausible formation mechanism, via hydrogen peroxide (H2O2), for the production of water (H2O) ice mantles in the dense interstellar medium. Theoretical chemistry models also predict the formation of a significant abundance of H2O2 ice in grain mantles by this route. At their upper limits, the predicted and experimental abundances are sufficiently high that H2O2 should be detectable in molecular cloud ice spectra. To investigate this further, laboratory spectra have been obtained for H2O2/H2O ice films between 2.5 and 200 micron, from 10 to 180 K, containing 3%, 30%, and 97% H2O2 ice. Integrated absorbances for all the absorption features in low-temperature H2O2 ice have been derived from these spectra. For identifying H2O2 ice, the key results are the presence of unique features near 3.5, 7.0, and 11.3 micron. Comparing the laboratory spectra with the spectra of a group of 24 protostars and field stars, all of which have strong H2O ice absorption bands, no absorption features are found that can definitely be identified with H2O2 ice. In the absence of definite H2O2 features, the H2O2 abundance is constrained by its possible contribution to the weak absorption feature near 3.47 micron found on the long-wavelength wing of the 3 micron H2O ice band. This gives an average upper limit for H2O2, as a percentage of H2O, of 9% +/- 4%. This is a strong constraint on parameters for surface chemistry experiments and dense cloud chemistry models.

  12. On the Formation of Interstellar Water Ice: Constraints from a Search for Hydrogen Peroxide Ice in Molecular Clouds

    NASA Astrophysics Data System (ADS)

    Smith, R. G.; Charnley, S. B.; Pendleton, Y. J.; Wright, C. M.; Maldoni, M. M.; Robinson, G.

    2011-12-01

    Recent surface chemistry experiments have shown that the hydrogenation of molecular oxygen on interstellar dust grains is a plausible formation mechanism, via hydrogen peroxide (H2O2), for the production of water (H2O) ice mantles in the dense interstellar medium. Theoretical chemistry models also predict the formation of a significant abundance of H2O2 ice in grain mantles by this route. At their upper limits, the predicted and experimental abundances are sufficiently high that H2O2 should be detectable in molecular cloud ice spectra. To investigate this further, laboratory spectra have been obtained for H2O2/H2O ice films between 2.5 and 200 μm, from 10 to 180 K, containing 3%, 30%, and 97% H2O2 ice. Integrated absorbances for all the absorption features in low-temperature H2O2 ice have been derived from these spectra. For identifying H2O2 ice, the key results are the presence of unique features near 3.5, 7.0, and 11.3 μm. Comparing the laboratory spectra with the spectra of a group of 24 protostars and field stars, all of which have strong H2O ice absorption bands, no absorption features are found that can definitely be identified with H2O2 ice. In the absence of definite H2O2 features, the H2O2 abundance is constrained by its possible contribution to the weak absorption feature near 3.47 μm found on the long-wavelength wing of the 3 μm H2O ice band. This gives an average upper limit for H2O2, as a percentage of H2O, of 9% ± 4%. This is a strong constraint on parameters for surface chemistry experiments and dense cloud chemistry models.

  13. Sudden perturbation of hydrogen atoms by intense ultrashort laser pulses

    SciTech Connect

    Lugovskoy, A. V.; Bray, I.

    2005-12-15

    We study theoretically how hydrogen atoms respond to intense ultrashort laser pulses of duration {tau} shorter than the inverse of the initial-state energy {epsilon}{sub i}{sup -1}. An analytical expression for the evolution operator S is derived up to the first order of the sudden perturbation approximation. This approximation treats the laser-atom interaction beyond the dipole approximation and yields S as a series in the small parameter {epsilon}{sub i}{tau}. It is shown that the effect of realistic laser pulses on atoms begins at the first order of {epsilon}{sub i}{tau}. Transitions between atomic (nlm) states of different m become possible due to the action of the pulse's magnetic field. Transitions between states of same m and arbitrary l become possible if the static Coulomb potential is taken into account during the pulse.

  14. Distinct metallization and atomization transitions in dense liquid hydrogen.

    PubMed

    Mazzola, Guglielmo; Sorella, Sandro

    2015-03-13

    We perform molecular dynamics simulations driven by accurate quantum Monte Carlo forces on dense liquid hydrogen. There is a recent report of a complete atomization transition between a mixed molecular-atomic liquid and a completely dissociated fluid in an almost unaccessible pressure range [Nat. Commun. 5, 3487 (2014)]. Here, instead, we identify a different transition between the fully molecular liquid and the mixed-atomic fluid at ∼400  GPa, i.e., in a much more interesting pressure range. We provide numerical evidence supporting the metallic behavior of this intermediate phase. Therefore, we predict that the metallization at finite temperature occurs in this partially dissociated molecular fluid, well before the complete atomization of the liquid. At high temperature this first-order transition becomes a crossover, in very good agreement with the experimental observation. Several systematic tests supporting the quality of our large scale calculations are also reported.

  15. Goddard high-resolution spectrograph observations of the local interstellar medium and the deuterium/hydrogen ratio along the line of sight toward Capella

    NASA Technical Reports Server (NTRS)

    Linsky, Jeffrey L.; Brown, Alexander; Gayley, Ken; Diplas, Athanassios; Savage, Blair D.; Ayres, Thomas R.; Landsman, Wayne; Shore, Steven N.; Heap, Sara R.

    1993-01-01

    HST Goddard High-Resolution Spectrograph observations of the 1216, 2600, and 2800 A spectral regions are analyzed for the spectroscopic binary system Capella, obtained at orbital phase 0.26 with 3.27-3.57 km/s resolution and high SNR. The column densities of H I, D I, Mg II, and Fe II for the local interstellar medium along this 12.5 pc line of sight, together with estimates of the temperature and turbulent velocity are inferred. It is inferred that the atomic deuterium/hydrogen ratio by number is 1.65(+0.07, -0.18) x 10 exp -5 for this line of sight. Galactic evolution calculations indicate that the primordial D/H ratio probably lies in the range of (1.5-3) x (D/H)LISM. If H0 = 80 km/s Mpc, as recent evidence suggests, then the baryonic density in units of the Einstein-de Sitter closure density is 0.023-0.031. Thus the universe is argued to expand forever, unless nonbaryonic matter greatly exceeds the amount of baryonic matter.

  16. Observations of molecular and atomic gas in photodissociation regions. [interstellar chemistry

    NASA Technical Reports Server (NTRS)

    Jaffe, D. T.; Howe, J. E.

    1989-01-01

    Dense gas at the ionized/neutral boundaries of molecular clouds illuminated by far-UV photons plays an important role in the appearance of the neutral interstellar medium. It also is a laboratory for the study of UV-photochemistry and of a number of heating and cooling phenomena not seen elsewhere. Fine structure lines of neutral and low ionization potential species dominate the cooling in the outer part of the photodissociation regions. Observations of these lines show that the regions are dense and highly clumped. Observations of H2 and CO show that heating by UV photons plays a significant role in the excitation of molecular lines near the H II/neutral boundary. Warm CO is more abundant in these regions than predicted by the standard theoretical models. Optical reflection nebulas provide an ideal laboratory for the study of photodissocciation region phenomena.

  17. Unparticle contribution to the hydrogen atom ground state energy

    NASA Astrophysics Data System (ADS)

    Wondrak, Michael F.; Nicolini, Piero; Bleicher, Marcus

    2016-08-01

    In the present work we study the effect of unparticle modified static potentials on the energy levels of the hydrogen atom. By using Rayleigh-Schrödinger perturbation theory, we obtain the energy shift of the ground state and compare it with experimental data. Bounds on the unparticle energy scale ΛU as a function of the scaling dimension dU and the coupling constant λ are derived. We show that there exists a parameter region where bounds on ΛU are stringent, signaling that unparticles could be tested in atomic physics experiments.

  18. Laser stripping of hydrogen atoms by direct ionization

    DOE PAGES

    Brunetti, E.; Becker, W.; Bryant, H. C.; Jaroszynski, D. A.; Chou, W.

    2015-05-08

    Direct ionization of hydrogen atoms by laser irradiation is investigated as a potential new scheme to generate proton beams without stripping foils. The time-dependent Schrödinger equation describing the atom-radiation interaction is numerically solved obtaining accurate ionization cross-sections for a broad range of laser wavelengths, durations and energies. Parameters are identified where the Doppler frequency up-shift of radiation colliding with relativistic particles can lead to efficient ionization over large volumes and broad bandwidths using currently available lasers.

  19. Semirelativistic model for ionization of atomic hydrogen by electron impact

    SciTech Connect

    Attaourti, Y.; Taj, S.; Manaut, B.

    2005-06-15

    We present a semirelativistic model for the description of the ionization process of atomic hydrogen by electron impact in the first Born approximation by using the Darwin wave function to describe the bound state of atomic hydrogen and the Sommerfeld-Maue wave function to describe the ejected electron. This model, accurate to first order in Z/c in the relativistic correction, shows that, even at low kinetic energies of the incident electron, spin effects are small but not negligible. These effects become noticeable with increasing incident electron energies. All analytical calculations are exact and our semirelativistic results are compared with the results obtained in the nonrelativistic Coulomb Born approximation both for the coplanar asymmetric and the binary coplanar geometries.

  20. Fluorescence Quenching of Benzaldehyde in Water by Hydrogen Atom Abstraction.

    PubMed

    Fletcher, Katharyn; Bunz, Uwe H F; Dreuw, Andreas

    2016-09-01

    We computed the mechanism of fluorescence quenching of benzaldehyde in water through relaxed potential energy surface scans. Time-dependent density functional theory calculations along the protonation coordinate from water to benzaldehyde reveal that photoexcitation to the bright ππ* (S3 ) state is immediately followed by ultrafast decay to the nπ* (S1 ) state. Evolving along this state, benzaldehyde (BA) abstracts a hydrogen atom, resulting in a BAH(.) and OH(.) radical pair. Benzaldehyde does not act as photobase in water, but abstracts a hydrogen atom from a nearby solvent molecule. The system finally decays back to the ground state by non-radiative decay and an electron transfers back to the OH(.) radical. Proton transfer from BAH(+) to OH(-) restores the initial situation, BA in water. PMID:27305520

  1. Quadrupole photoionization of hydrogen atoms in Debye plasmas

    SciTech Connect

    Lin, C. Y.; Ho, Y. K.

    2010-09-15

    Although a great deal of effort has been devoted to investigating dipole photoionization of plasma-embedded atoms, far less is known about the corresponding quadrupole transitions. In the present work, quadrupole photoionization processes for the ground and excited states of hydrogen atoms in Debye plasma are explored using the method of complex coordinate rotation. The plasma shielding effects on the quadrupole photoionization cross sections are reported for a variety of Debye screening lengths and compared to the dipole results accordingly. Under the perturbation of plasma screening, shape resonances and Cooper-type minima occurring in both dipole and quadrupole photoionization cross sections are presented and discussed. Comparisons are made to other theoretical calculations for the dipole photoionization with good agreement. The present quadrupole results are the first predictions for hydrogen photoionization in Debye plasmas.

  2. Analytic Solution of a Two-Dimensional Hydrogen Atom

    NASA Astrophysics Data System (ADS)

    Yang, Xiao-Li.

    1990-03-01

    The two dimensional hydrogen atom problem is solved analytically in both the relativistic and non-relativistic cases. In the nonrelativistic case, exact formulae for energy eigenvalues and eigenfunctions for both the discrete and continuous parts of the spectrum, dipole matrix elements, DC Stark effect, single- and two-photon transition rate, fine and hyperfine structures are obtained. The binding energy of the ground state is found to be reduced by a factor of four from that of a three dimensional hydrogen atom. In the relativistic case, exact analytic expressions for discrete eigen energy and normalized eigen wave function are derived. It is shown that the solution to the Dirac equation is disjoint in the spin-coordinate space (four -component spinor) in contrast to the three dimensional counterpart. This surprising result is a consequence of the planar motion of the electron.

  3. Fluorescence Quenching of Benzaldehyde in Water by Hydrogen Atom Abstraction.

    PubMed

    Fletcher, Katharyn; Bunz, Uwe H F; Dreuw, Andreas

    2016-09-01

    We computed the mechanism of fluorescence quenching of benzaldehyde in water through relaxed potential energy surface scans. Time-dependent density functional theory calculations along the protonation coordinate from water to benzaldehyde reveal that photoexcitation to the bright ππ* (S3 ) state is immediately followed by ultrafast decay to the nπ* (S1 ) state. Evolving along this state, benzaldehyde (BA) abstracts a hydrogen atom, resulting in a BAH(.) and OH(.) radical pair. Benzaldehyde does not act as photobase in water, but abstracts a hydrogen atom from a nearby solvent molecule. The system finally decays back to the ground state by non-radiative decay and an electron transfers back to the OH(.) radical. Proton transfer from BAH(+) to OH(-) restores the initial situation, BA in water.

  4. Solid Hydrogen Experiments for Atomic Propellants: Image Analyses

    NASA Technical Reports Server (NTRS)

    Palaszewski, Bryan

    2002-01-01

    This paper presents the results of detailed analyses of the images from experiments that were conducted on the formation of solid hydrogen particles in liquid helium. Solid particles of hydrogen were frozen in liquid helium, and observed with a video camera. The solid hydrogen particle sizes, their agglomerates, and the total mass of hydrogen particles were estimated. Particle sizes of 1.9 to 8 mm (0.075 to 0.315 in.) were measured. The particle agglomerate sizes and areas were measured, and the total mass of solid hydrogen was computed. A total mass of from 0.22 to 7.9 grams of hydrogen was frozen. Compaction and expansion of the agglomerate implied that the particles remain independent particles, and can be separated and controlled. These experiment image analyses are one of the first steps toward visually characterizing these particles, and allow designers to understand what issues must be addressed in atomic propellant feed system designs for future aerospace vehicles.

  5. Hydrogenated fullerenes dimer, peanut and capsule: An atomic comparison

    NASA Astrophysics Data System (ADS)

    EL-Barbary, A. A.

    2016-04-01

    Hydrogenated fullerenes are detected in the Universe in space but their identification is still unsolved task. Therefore, this paper provides useful information about hydrogenated fullerenes (dimer, peanut and capsule) using DFT method at the B3LYP/6-31G(d) level of theory. The stability, geometric structures, hydrogen adsorption energies and NMR chemical shifts are calculated. The results show that the energy of most stable isomer of C118 dimer is lower than the energies sum of C60 and C58 cages by 1.77 eV and the energy per carbon atom of C144 capsule is more stable than C60 cage by 126.98 meV. Also, endohedral Ti-doped C118 dimer and C128 peanut are found to be most stable structures than exohedral Ti-doped C118 dimer and C128 peanut by 2.19 eV/Ti and 3.52 eV/Ti, respectively. The hydrogenation process is found to be enhanced (especially at the caps) for endohedral Ti-doped C118 dimer and C128 peanut through electronic surface modifications. The most active hydrogenation sites are selected and it is found that the most stable hydrogenation sites are Houts1 and Houts3 for fullerenes and endohedral Ti-doped fullerenes, respectively.

  6. Solar Wind Charge Exchange Studies Of Highly Charged Ions On Atomic Hydrogen

    SciTech Connect

    Draganic, I. N.; Havener, C. C.; Seely, D. G.; McCammon, D.

    2011-06-01

    Accurate studies of low-energy charge exchange (CX) are critical to understanding underlying soft X-ray radiation processes in the interaction of highly charged ions from the solar wind with the neutral atoms and molecules in the heliosphere, cometary comas, planetary atmospheres, interstellar winds, etc.. Particularly important are the CX cross sections for bare, H-like, and He-like ions of C, N, O and Ne, which are the dominant charge states for these heavier elements in the solar wind. Absolute total cross sections for single electron capture by H-like ions of C, N, O and fully-stripped O ions from atomic hydrogen have been measured in an expanded range of relative collision energies (5 eV/u-20 keV/u) and compared to previous H-oven measurements. The present measurements are performed using a merged-beams technique with intense highly charged ion beams extracted from a 14.5 GHz ECR ion source installed on a high voltage platform at the Oak Ridge National Laboratory. For the collision energy range of 0.3 keV/u-3.3 keV/u, which corresponds to typical ion velocities in the solar wind, the new measurements are in good agreement with previous H-oven measurements. The experimental results are discussed in detail and compared with theoretical calculations where available.

  7. Solar Wind Charge Exchange Studies of Highly Charged Ions on Atomic Hydrogen

    SciTech Connect

    Draganic, Ilija N; Seely, D. G.; McCammon, D; Havener, Charles C

    2011-01-01

    Accurate studies of low energy charge exchange (CX) are critical to understanding underlying soft X ray radiation processes in the interaction of highly charged ions from the solar wind with the neutral atoms and molecules in the heliosphere, cometary comas, planetary atmospheres, interstellar winds, etc.. Particularly important are the CX cross sections for bare, H like, and He like ions of C, N, O and Ne, which are the dominant charge states for these heavier elements in the solar wind. Absolute total cross sections for single electron capture by H like ions of C, N, O and fully stripped O ions from atomic hydrogen have been measured in an expanded range of relative collision energies (5 eV u 20 keV u) and compared to previous H oven measurements. The present measurements are performed using a merged beams technique with intense highly charged ion beams extracted from a 14.5 GHz ECR ion source installed on a high voltage platform at the Oak Ridge National Laboratory. For the collision energy range of 0.3 keV u 3.3 keV u, which corresponds to typical ion velocities in the solar wind, the new measurements are in good agreement with previous H oven measurements. The experimental results are discussed in detail and compared with theoretical calculations where available.

  8. Effects of wall coatings and temperature on hydrogen atom surface recombination

    NASA Technical Reports Server (NTRS)

    Wong, E. L.; Baker, C. E.

    1973-01-01

    The efficiency of various surface coatings and materials toward inhibiting hydrogen atom surface recombination was investigated over a temperature range of 77 to 298 K. A flow discharge, mass spectrometer technique was used to make the experimental measurements. Hydrogen atoms were monitored directly, and these measurements were expressed as ratios of mass spectrometer peak heights for atomic and molecular hydrogen. Several of the surface coatings studied were efficient at reducing hydrogen atom surface recombination at room temperature. However, as the temperature was lowered, this efficiency was drastically reduced. Calibration of the mass spectrometer for atomic and molecular hydrogen indicated that mass spectrometer discrimination against hydrogen atoms was severe. Mass spectrometer sensitivity for hydrogen atoms was only about one-sixth of that for molecular hydrogen.

  9. Infrared atomic hydrogen line formation in luminous stars

    NASA Technical Reports Server (NTRS)

    Krolik, J. H.; Smith, H. A.

    1981-01-01

    Infrared atomic hydrogen lines observed in luminous stars, generally attributed to compact circumstellar H II regions, can also be formed in the winds likely to emanate from these stars. Implications are discussed for the class of obscured infrared point sources showing these lines, and an illustrative model is derived for the BN object in Orion. Such stellar winds should also produce weak, but detectable, radio emission.

  10. Lamb shift in the hydrogen atom: Leading logarithmic corrections

    SciTech Connect

    Karshenboim, S.G.

    1995-04-01

    The leading logarithmic correction to the difference of the Lamb shifts of the 1s{sub 1/2} and 2s{sub 1/2} levels is found. The difference {Delta}E{sub L}(1s{sub 1/2}) {minus} 8{Delta}E{sub L}(2s{sub 1/2}) for the hydrogen atom is found to be {minus}187.236(11) MHz. 13 refs., 2 figs.

  11. Continuous coherent Lyman- alpha excitation of atomic hydrogen.

    PubMed

    Eikema, K S; Walz, J; Hänsch, T W

    2001-06-18

    The 1S-2P transition in atomic hydrogen has been observed for the first time with almost natural linewidth. We employ a unique source of continuous coherent Lyman- alpha radiation based on four-wave mixing in mercury. The output of the source has been improved 40-fold to yield 20 nW. This demonstration shows that laser cooling and detection with continuous Lyman- alpha radiation has excellent prospects for future experiments with antihydrogen.

  12. Continuous Coherent Lyman-{alpha} Excitation of Atomic Hydrogen

    SciTech Connect

    Eikema, K. S. E.; Walz, J.; Hansch, T. W.

    2001-06-18

    The 1S{minus}2P transition in atomic hydrogen has been observed for the first time with almost natural linewidth. We employ a unique source of continuous coherent Lyman-{alpha} radiation based on four-wave mixing in mercury. The output of the source has been improved 40-fold to yield 20nW. This demonstration shows that laser cooling and detection with continuous Lyman-{alpha} radiation has excellent prospects for future experiments with antihydrogen.

  13. Amide-Substituted Titanocenes in Hydrogen-Atom Transfer Catalysis.

    PubMed

    Zhang, Yong-Qiang; Jakoby, Verena; Stainer, Katharina; Schmer, Alexander; Klare, Sven; Bauer, Mirko; Grimme, Stefan; Cuerva, Juan Manuel; Gansäuer, Andreas

    2016-01-22

    Two new catalytic systems for hydrogen-atom transfer (HAT) catalysis involving the N-H bonds of titanocene(III) complexes with pendant amide ligands are reported. In a monometallic system, a bifunctional catalyst for radical generation and reduction through HAT catalysis depending on the coordination of the amide ligand is employed. The pendant amide ligand is used to activate Crabtree's catalyst to yield an efficient bimetallic system for radical generation and HAT catalysis. PMID:26636435

  14. The alpha Centauri Line of Sight: D/H Ratio, Physical Properties of Local Interstellar Gas, and Measurement of Heated Hydrogen (The 'Hydrogen Wall') Near the Heliopause

    NASA Technical Reports Server (NTRS)

    Linsky, Jeffrey L.; Wood, Brian E.

    1996-01-01

    We analyze high-resolution spectra of the nearby (1.34 pc) stars alpha Cen A (G2 V) and alpha Cen B (K1 V), which were obtained with the Goddard High Resolution Spectrograph on the Hubble Space Telescope. The observations consist of echelle spectra of the Mg II 2800 A and Fe II 2599 A resonance lines and the Lyman-alpha lines of hydrogen and deuterium. The interstellar gas has a velocity (v = - 18.0 +/- 0.2 km/s) consistent with the local flow vector proposed for this line of sight by Lailement & Berlin (1992). The temperature and nonthermal velocity inferred from the Fe II, Mg II, and D I line profiles are T = 5400 +/- 500 K and xi = 1.20 +/- 0.25 km/s, respectively. However, single-component fits to the H I Lyman-alpha lines yield a Doppler parameter (b(sub HI) = 11.80 km/s) that implies a significantly warmer temperature of 8350 K, and the velocity of the H I absorption (v = - 15.8 +/- 0.2 km/s) is redshifted by about 2.2 km/s with respect to the Fe II, Mg II, and D I lines. The one-component model of the interstellar gas suggests natural logarithm N base HI = 18.03 +/- 0.01 and D/H = (5.7 +/- 0.2) x 10(exp -6) . These parameters lead to a good fit to the observed spectra, but this model does not explain the higher temperature and redshift of H I relative to the other interstellar lines. The most sensible way to resolve the discrepancy between H(I) and the other lines is to add a second absorption component to the H(I) lines. This second component is hotter (T approx. equals 30,000 K), is redshifted relative to the primary component by 2-4 km/s, and has a column density too low to be detected in the Fe(II), Mg(II), and D(I) lines. We propose that the gas responsible for this component is located near the heliopause, consisting of the heated H I gas from the interstellar medium that is compressed by the solar wind. This so-called 'hydrogen wall' is predicted by recent multifluid gasdynamical models of the interstellar gas and solar wind interaction. Our data

  15. Alkane desaturation by concerted double hydrogen atom transfer to benzyne.

    PubMed

    Niu, Dawen; Willoughby, Patrick H; Woods, Brian P; Baire, Beeraiah; Hoye, Thomas R

    2013-09-26

    The removal of two vicinal hydrogen atoms from an alkane to produce an alkene is a challenge for synthetic chemists. In nature, desaturases and acetylenases are adept at achieving this essential oxidative functionalization reaction, for example during the biosynthesis of unsaturated fatty acids, eicosanoids, gibberellins and carotenoids. Alkane-to-alkene conversion almost always involves one or more chemical intermediates in a multistep reaction pathway; these may be either isolable species (such as alcohols or alkyl halides) or reactive intermediates (such as carbocations, alkyl radicals, or σ-alkyl-metal species). Here we report a desaturation reaction of simple, unactivated alkanes that is mechanistically unique. We show that benzynes are capable of the concerted removal of two vicinal hydrogen atoms from a hydrocarbon. The discovery of this exothermic, net redox process was enabled by the simple thermal generation of reactive benzyne intermediates through the hexadehydro-Diels-Alder cycloisomerization reaction of triyne substrates. We are not aware of any single-step, bimolecular reaction in which two hydrogen atoms are simultaneously transferred from a saturated alkane. Computational studies indicate a preferred geometry with eclipsed vicinal C-H bonds in the alkane donor.

  16. Manufacture and deflagration of an atomic hydrogen propellant

    NASA Technical Reports Server (NTRS)

    Rosen, G.

    1974-01-01

    It is observed that the use of very low temperatures (in the range from 0.1 to 1.5 K) produced by advanced cryogenic apparatus and the use of very strong magnetic fields (in the range from 50 to 100 kG) produced by superconducting magnets can yield a significant improvement in the atomic hydrogen trapping effectiveness of an H2 matrix. The use of a radioactive beta-ray emiter isotope may yield H-H2 propellants (with a specific impulse of about 740 sec) by secondary electron impact dissociations of H2 in an impregnated matrix maintained below 1 K in a strong magnetic field. Another method for manufacturing an H-H2 propellant involves bombardment of supercooled solid H2 with a cyclotron-produced beam of 10-MeV hydrogen atoms. The matrix-isolated atomic hydrogen must be used directly without prior melting as a solid propellant, and an analysis of the steady deflagration is presented.

  17. An experimental limit on parity mixing in atomic hydrogen

    SciTech Connect

    Fehrenbach, C.C.W.

    1993-12-31

    An experiment was performed to detect the forbidden E1 transition between two hyperfine levels of the 2S state of atomic hydrogen. Such a transition, with {Delta}l = 0, violates parity symmetry. The technique used was to induce an interference between the forbidden transition and a parity-allowed E1 transition polarized by a DC electric field. The two induced transitions were driven coherently in a single microwave cavity. A magnetic field was used to shift the atoms into resonance with the RF radiation and to make the 2S and 2P states degenerate in energy, which would maximize any parity-violating mixing between these states. The measurements were made by passing a beam of hydrogen through the microwave cavity, and monitoring the state of the emerging atoms. To separate the parity-violating component of the transition rate from the parity-conserving part, the change in the transition rate was monitored when the handedness of the interaction region was reversed. From the transition asymmetry it was possible to extract the size of the proton-spin dependent part of a general parity-violating interaction between an electron and a proton. This can be stated in terms of a dimensionless constant C{sub 2}. The result of this experiment is C{sub 2p} = 1.5 {plus_minus} 22. The error bound represents a 95% confidence level and is an improvement of an order of magnitude over previous limits set by similar experiments in hydrogen.

  18. The hydrogen atom in plasmas with an external electric field

    SciTech Connect

    Bahar, M. K.; Soylu, A.

    2014-09-15

    We numerically solve the Schrödinger equation, using a more general exponential cosine screened Coulomb (MGECSC) potential with an electric field, in order to investigate the screening and weak external electric field effects on the hydrogen atom in plasmas. The MGECSC potential is examined for four different cases, corresponding to different screening parameters of the potential and the external electric field. The influences of the different screening parameters and the weak external electric field on the energy eigenvalues are determined by solving the corresponding equations using the asymptotic iteration method (AIM). It is found that the corresponding energy values shift when a weak external electric field is applied to the hydrogen atom in a plasma. This study shows that a more general exponential cosine screened Coulomb potential allows the influence of an applied, weak, external electric field on the hydrogen atom to be investigated in detail, for both Debye and quantum plasmas simultaneously. This suggests that such a potential would be useful in modeling similar effects in other applications of plasma physics, and that AIM is an appropriate method for solving the Schrödinger equation, the solution of which becomes more complex due to the use of the MGECSC potential with an applied external electric field.

  19. Zero-Temperature Structures of Atomic Metallic Hydrogen

    NASA Astrophysics Data System (ADS)

    McMahon, Jeffrey; Ceperley, David

    2011-03-01

    Since the first prediction of an atomic metallic phase of hydrogen by Wigner and Huntington over 75 years ago, there have been many theoretical efforts aimed at determining the crystal structures of the zero-temperature phases. We present results from ab initio random structure searching with density functional theory performed to determine the ground state structures from 500 GPa to 5 TPa. We estimate that molecular hydrogen dissociates into a monatomic body-centered tetragonal structure near 500 GPa (rs = 1.225), which then remains stable to 2.5 TPa (rs = 0.969). At higher pressures, hydrogen stabilizes in an . . . ABCABC . . . planar structure that is remarkably similar to the ground state of lithium, which compresses to the face-centered cubic lattice beyond 5 TPa (rs < 0.86). Our results provide a complete ab initio description of the atomic metallic crystal structures of hydrogen, resolving one of the most fundamental and long outstanding issues concerning the structures of the elements.

  20. The atomic hydrogen cloud in the saturnian system

    NASA Astrophysics Data System (ADS)

    Tseng, W.-L.; Johnson, R. E.; Ip, W.-H.

    2013-09-01

    The importance of Titan's H torus shaped by solar radiation pressure and of hydrogen atoms flowing out of Saturn's atmosphere in forming the broad hydrogen cloud in Saturn's magnetosphere is still debated. Since the Saturnian system also contains a water product torus which originates from the Enceladus plumes, the icy ring particles, and the inner icy satellites, as well as Titan's H2 torus, we have carried out a global investigation of the atomic hydrogen cloud taking into account all sources. We show that the velocity and angle distributions of the hot H ejected from Saturn's atmosphere following electron-impact dissociation of H2 are modified by collisions with the ambient atmospheric H2 and H. This in turn affects the morphology of the escaping hydrogen from Saturn, as does the morphology of the ionospheric electron distribution. Although an exact agreement with the Cassini observations is not obtained, our simulations show that H directly escaping from Titan is the dominant contributor in the outer magnetosphere. Of the total number of H observed by Cassini from 1 to 5RS, ∼5.7×1034, our simulations suggest ∼20% is from dissociation in the Enceladus torus, ∼5-10% is from dissociation of H2 in the atmosphere of the main rings, and ∼50% is from Titan's H torus, implying that ∼20% comes from Saturn atmosphere.

  1. Hydrocarbon analogs of cosmic dust to trace the solid carbon abundance in the interstellar medium

    NASA Astrophysics Data System (ADS)

    Gadallah, Kamel A. K.

    2015-01-01

    The spectral changes of hydrogenated amorphous carbon (HAC) could show variable distributions of solid carbon abundance in the interstellar medium (ISM). The variable optical properties of HAC analogs, produced by the laser ablation in a high vacuum, depends on the variation in its atomic and electronic structures. The fraction of hydrogen atoms in HAC increases proportionally with the laser's power. The available solid carbon tied up in the interstellar HAC, being the carrier of the interstellar 3.4 μ m and 4.6 μ m-1 bands, is indicated by the strength of these bands. Comparing the strength of these bands with those of laboratory data indicates that the amount of carbon in HAC analogs is not inherently sufficient. The lack in the solid carbon (locked solid carbon) in these analogs can be analytically estimated to facilitate the simulation of cosmic carbon dust. The results show a reduction in the locked solid carbon when the fraction of hydrogen atoms in HAC analogs increases. When this fraction becomes approximately 0.52 relative to the total number of hydrogen and carbon atoms, there is no lack of carbon in HAC analogs. The interstellar distribution of variable solid carbon abundance is attributed to the modification of cosmic HAC, which occurs as a result of the variation in its hydrogen atom fraction and the UV processing taking place in the interstellar environments. This distribution reveals more solid carbon abundances reside in the dust phase and may assist in resolving the carbon crisis.

  2. Reactions of atomic hydrogen in water : solvent and isotope effects.

    SciTech Connect

    Bartels, D. M.

    1999-06-10

    It has been known for many years that hydrogen atoms can be easily created and studied in water using radiolytic techniques [1]. The use of CW EPR detection coupled with electron radiolysis proved extremely useful in estimating many reaction rates, and revealed the interesting phenomenon of chemically induced dynamic electron polarization (CIDEP) [2]. In recent years, we have made use of pulsed EPR detection to make precision reaction rate measurements which avoid the complications of CIDEP [3]. Activation energies and H/D isotope effects measured in these studies [4-14] will be described below. An interesting aspect of the hydrogen atom reactions is the effect of hydrophobic solvation. EPR evidence--an almost gas-phase hyperfine coupling and extremely narrow linewidth--is quite convincing to show that the H atom is just a minimally perturbed gas phase atom inside a small ''bubble''. In several systems we have found that the hydrophobic free energy of solvation dominates the solvent effect on reaction rates.

  3. Reactions of butadiyne. 1: The reaction with hydrogen atoms

    NASA Technical Reports Server (NTRS)

    Schwanebeck, W.; Warnatz, J.

    1984-01-01

    The reaction of hydrogen (H) atoms with butadiene (C4H2) was studied at room temperature in a pressure range between w mbar and 10 mbar. The primary step was an addition of H to C4H2 which is in its high pressure range at p 1 mbar. Under these conditions the following addition of a second H atom lies in the transition region between low and high pressure range. Vibrationally excited C4H4 can be deactivated to form buten-(1)-yne-(3)(C4H4) or decomposes into two C2H2 molecules. The rate constant at room temperature for primary step is given. The second order rate constant for the consumption of buten-(1)-yne-(3) is an H atom excess at room temperature is given.

  4. Ultrafast effective multilevel atom method for primordial hydrogen recombination

    SciTech Connect

    Ali-Haiemoud, Yacine; Hirata, Christopher M.

    2010-09-15

    Cosmological hydrogen recombination has recently been the subject of renewed attention because of its importance for predicting the power spectrum of cosmic microwave background anisotropies. It has become clear that it is necessary to account for a large number n > or approx. 100 of energy shells of the hydrogen atom, separately following the angular momentum substates in order to obtain sufficiently accurate recombination histories. However, the multilevel atom codes that follow the populations of all these levels are computationally expensive, limiting recent analyses to only a few points in parameter space. In this paper, we present a new method for solving the multilevel atom recombination problem, which splits the problem into a computationally expensive atomic physics component that is independent of the cosmology and an ultrafast cosmological evolution component. The atomic physics component follows the network of bound-bound and bound-free transitions among excited states and computes the resulting effective transition rates for the small set of 'interface' states radiatively connected to the ground state. The cosmological evolution component only follows the populations of the interface states. By pretabulating the effective rates, we can reduce the recurring cost of multilevel atom calculations by more than 5 orders of magnitude. The resulting code is fast enough for inclusion in Markov chain Monte Carlo parameter estimation algorithms. It does not yet include the radiative transfer or high-n two-photon processes considered in some recent papers. Further work on analytic treatments for these effects will be required in order to produce a recombination code usable for Planck data analysis.

  5. Hydrogen atom density in narrow-gap microwave hydrogen plasma determined by calorimetry

    NASA Astrophysics Data System (ADS)

    Yamada, Takahiro; Ohmi, Hiromasa; Kakiuchi, Hiroaki; Yasutake, Kiyoshi

    2016-02-01

    The density of hydrogen (H) atoms in the narrow-gap microwave hydrogen plasma generated under high-pressure conditions is expected to be very high because of the high input power density of the order of 104 W/cm3. For measuring the H atom density in such a high-pressure and high-density plasma, power-balance calorimetry is suited since a sufficient signal to noise ratio is expected. In this study, H atom density in the narrow-gap microwave hydrogen plasma has been determined by the power-balance calorimetry. The effective input power to the plasma is balanced with the sum of the powers related to the out-going energy per unit time from the plasma region via heat conduction, outflow of high-energy particles, and radiation. These powers can be estimated by simple temperature measurements using thermocouples and optical emission spectroscopy. From the power-balance data, the dissociation fraction of H2 molecules is determined, and the obtained maximum H atom density is (1.3 ± 0.2) × 1018 cm-3. It is found that the H atom density increases monotonically with increasing the energy invested per one H2 molecule within a constant plasma volume.

  6. Concerted hydrogen atom exchange between three HF molecules

    NASA Technical Reports Server (NTRS)

    Komornicki, Andrew; Dixon, David A.; Taylor, Peter R.

    1992-01-01

    We have investigated the termolecular reaction involving concerted hydrogen exchange between three HF molecules, with particular emphasis on the effects of correlation at the various stationary points along the reaction. Using an extended basis, we have located the geometries of the stable hydrogen-bonded trimer, which is of C(sub 3h) symmetry, and the transition state for hydrogen exchange, which is of D(sub 3h) symmetry. The energies of the exchange reation were then evaluated at the correlated level, using a large atomic natural orbital basis and correlating all valence electrons. Several correlation treatments were used, namely, configration interaction with single and double excitations, coupled-pair functional, and coupled-cluster methods. We are thus able to measure the effect of accounting for size-extensivity. Zero-point corrections to the correlated level energetics were determined using analytic second derivative techniques at the SCF level. Our best calculations, which include the effects of connected triple excitations in the coupled-cluster procedure, indicate that the trimer is bound by 9 +/- 1 kcal/mol relative to three separate monomers, in excellent agreement with previous estimates. The barrier to concerted hydrogen exchange is 15 kcal/mol above the trimer, or only 4.7 kcal/mol above three separated monomers. Thus the barrier to hydrogen exchange between HF molecules via this termolecular process is very low.

  7. Hydrogen-hydrogen interaction in planar biphenyl: a theoretical study based on the interacting quantum atoms and Hirshfeld atomic energy partitioning methods.

    PubMed

    Eskandari, Kiamars; Van Alsenoy, Christian

    2014-10-01

    The nature of H-H interaction between ortho-hydrogen atoms in planar biphenyl is investigated by two different atomic energy partitioning methods, namely fractional occupation iterative Hirshfeld (FOHI) and interacting quantum atoms (IQA), and compared with the traditional virial-based approach of quantum theory of atoms in molecules (QTAIM). In agreement with Bader's hypothesis of H-H bonding, partitioning the atomic energy into intra-atomic and interatomic terms reveals that there is a net attractive interaction between the ortho-hydrogens in the planar biphenyl. This falsifies the classical view of steric repulsion between the hydrogens. In addition, in contrast to the traditional QTAIM energy analysis, both FOHI and IQA show that the total atomic energy of the ortho-hydrogens remains almost constant when they participate in the H-H interaction. Although, the interatomic part of atomic energy of the hydrogens plays a stabilizing role during the formation of the H-H bond, it is almost compensated by the destabilizing effects of the intra-atomic parts and consequently, the total energy of the hydrogens remains constant. The trends in the changes of intra-atomic and interatomic energy terms of ortho-hydrogens during H-H bond formation are very similar to those observed for the H2 molecule.

  8. Investigation of low-latitude hydrogen emission in terms of a two-component interstellar gas model

    NASA Technical Reports Server (NTRS)

    Baker, P. L.; Burton, W. B.

    1975-01-01

    High-resolution 21-cm hydrogen line observations at low galactic latitude are analyzed to determine the large-scale distribution of galactic hydrogen. Distribution parameters are found by model fitting, optical depth effects are computed using a two-component gas model suggested by the observations, and calculations are made for a one-component uniform spin-temperature gas model to show the systematic departures between this model and data obtained by incorrect treatment of the optical depth effects. Synthetic 21-cm line profiles are computed from the two-component model, and the large-scale trends of the observed emission profiles are reproduced together with the magnitude of the small-scale emission irregularities. Values are determined for the thickness of the galactic hydrogen disk between half density points, the total observed neutral hydrogen mass of the galaxy, and the central number density of the intercloud hydrogen atoms. It is shown that typical hydrogen clouds must be between 1 and 13 pc in diameter and that optical thinness exists on large-scale despite the presence of optically thin gas.

  9. The interstellar medium in galaxies; Proceedings of the 2nd Teton Conference, Grand Teton National Park, WY, July 3-7, 1989

    NASA Astrophysics Data System (ADS)

    Thronson, Harley A., Jr.; Shull, J. M.

    The present conference on the interstellar medium in galaxies discusses the cool phase of the interstellar medium, molecular clouds in spiral galaxies, interstellar dust in galaxies, and the diffuse interstellar medium. Attention is given to cooling flows and X-ray emission in early-type galaxies, the interstellar medium in active galaxies, abundances in extragalactic H II regions, and thermal phases of the interstellar medium in galaxies. Topics considered include large-scale interstellar gasdynamics in disk galaxies, gas during mergers, magnetic fields in galaxies, and large-scale star formation in the interstellar medium. Also discussed are gaseous halos and disks of galaxies at large redshift, the star-gas cycle in galaxies, measuring atomic hydrogen masses using the 21-cm line, and mass determinations from far-infrared and from CO observations.

  10. The interstellar medium in galaxies; Proceedings of the 2nd Teton Conference, Grand Teton National Park, WY, July 3-7, 1989

    NASA Technical Reports Server (NTRS)

    Thronson, Harley A., Jr. (Editor); Shull, J. M. (Editor)

    1990-01-01

    The present conference on the interstellar medium in galaxies discusses the cool phase of the interstellar medium, molecular clouds in spiral galaxies, interstellar dust in galaxies, and the diffuse interstellar medium. Attention is given to cooling flows and X-ray emission in early-type galaxies, the interstellar medium in active galaxies, abundances in extragalactic H II regions, and thermal phases of the interstellar medium in galaxies. Topics considered include large-scale interstellar gasdynamics in disk galaxies, gas during mergers, magnetic fields in galaxies, and large-scale star formation in the interstellar medium. Also discussed are gaseous halos and disks of galaxies at large redshift, the star-gas cycle in galaxies, measuring atomic hydrogen masses using the 21-cm line, and mass determinations from far-infrared and from CO observations.

  11. Role of Double Hydrogen Atom Transfer Reactions in Atmospheric Chemistry.

    PubMed

    Kumar, Manoj; Sinha, Amitabha; Francisco, Joseph S

    2016-05-17

    Hydrogen atom transfer (HAT) reactions are ubiquitous and play a crucial role in chemistries occurring in the atmosphere, biology, and industry. In the atmosphere, the most common and traditional HAT reaction is that associated with the OH radical abstracting a hydrogen atom from the plethora of organic molecules in the troposphere via R-H + OH → R + H2O. This reaction motif involves a single hydrogen transfer. More recently, in the literature, there is an emerging framework for a new class of HAT reactions that involves double hydrogen transfers. These reactions are broadly classified into four categories: (i) addition, (ii) elimination, (iii) substitution, and (iv) rearrangement. Hydration and dehydration are classic examples of addition and elimination reactions, respectively whereas tautomerization or isomerization belongs to a class of rearrangement reactions. Atmospheric acids and water typically mediate these reactions. Organic and inorganic acids are present in appreciable levels in the atmosphere and are capable of facilitating two-point hydrogen bonding interactions with oxygenates possessing an hydroxyl and/or carbonyl-type functionality. As a result, acids influence the reactivity of oxygenates and, thus, the energetics and kinetics of their HAT-based chemistries. The steric and electronic effects of acids play an important role in determining the efficacy of acid catalysis. Acids that reduce the steric strain of 1:1 substrate···acid complex are generally better catalysts. Among a family of monocarboxylic acids, the electronic effects become important; barrier to the catalyzed reaction correlates strongly with the pKa of the acid. Under acid catalysis, the hydration of carbonyl compounds leads to the barrierless formation of diols, which can serve as seed particles for atmospheric aerosol growth. The hydration of sulfur trioxide, which is the principle mechanism for atmospheric sulfuric acid formation, also becomes barrierless under acid catalysis

  12. Role of Double Hydrogen Atom Transfer Reactions in Atmospheric Chemistry.

    PubMed

    Kumar, Manoj; Sinha, Amitabha; Francisco, Joseph S

    2016-05-17

    Hydrogen atom transfer (HAT) reactions are ubiquitous and play a crucial role in chemistries occurring in the atmosphere, biology, and industry. In the atmosphere, the most common and traditional HAT reaction is that associated with the OH radical abstracting a hydrogen atom from the plethora of organic molecules in the troposphere via R-H + OH → R + H2O. This reaction motif involves a single hydrogen transfer. More recently, in the literature, there is an emerging framework for a new class of HAT reactions that involves double hydrogen transfers. These reactions are broadly classified into four categories: (i) addition, (ii) elimination, (iii) substitution, and (iv) rearrangement. Hydration and dehydration are classic examples of addition and elimination reactions, respectively whereas tautomerization or isomerization belongs to a class of rearrangement reactions. Atmospheric acids and water typically mediate these reactions. Organic and inorganic acids are present in appreciable levels in the atmosphere and are capable of facilitating two-point hydrogen bonding interactions with oxygenates possessing an hydroxyl and/or carbonyl-type functionality. As a result, acids influence the reactivity of oxygenates and, thus, the energetics and kinetics of their HAT-based chemistries. The steric and electronic effects of acids play an important role in determining the efficacy of acid catalysis. Acids that reduce the steric strain of 1:1 substrate···acid complex are generally better catalysts. Among a family of monocarboxylic acids, the electronic effects become important; barrier to the catalyzed reaction correlates strongly with the pKa of the acid. Under acid catalysis, the hydration of carbonyl compounds leads to the barrierless formation of diols, which can serve as seed particles for atmospheric aerosol growth. The hydration of sulfur trioxide, which is the principle mechanism for atmospheric sulfuric acid formation, also becomes barrierless under acid catalysis

  13. ON THE FORMATION OF INTERSTELLAR WATER ICE: CONSTRAINTS FROM A SEARCH FOR HYDROGEN PEROXIDE ICE IN MOLECULAR CLOUDS

    SciTech Connect

    Smith, R. G.; Wright, C. M.; Robinson, G.; Charnley, S. B.; Pendleton, Y. J.; Maldoni, M. M. E-mail: c.wright@adfa.edu.au E-mail: Steven.B.Charnley@nasa.gov

    2011-12-20

    Recent surface chemistry experiments have shown that the hydrogenation of molecular oxygen on interstellar dust grains is a plausible formation mechanism, via hydrogen peroxide (H{sub 2}O{sub 2}), for the production of water (H{sub 2}O) ice mantles in the dense interstellar medium. Theoretical chemistry models also predict the formation of a significant abundance of H{sub 2}O{sub 2} ice in grain mantles by this route. At their upper limits, the predicted and experimental abundances are sufficiently high that H{sub 2}O{sub 2} should be detectable in molecular cloud ice spectra. To investigate this further, laboratory spectra have been obtained for H{sub 2}O{sub 2}/H{sub 2}O ice films between 2.5 and 200 {mu}m, from 10 to 180 K, containing 3%, 30%, and 97% H{sub 2}O{sub 2} ice. Integrated absorbances for all the absorption features in low-temperature H{sub 2}O{sub 2} ice have been derived from these spectra. For identifying H{sub 2}O{sub 2} ice, the key results are the presence of unique features near 3.5, 7.0, and 11.3 {mu}m. Comparing the laboratory spectra with the spectra of a group of 24 protostars and field stars, all of which have strong H{sub 2}O ice absorption bands, no absorption features are found that can definitely be identified with H{sub 2}O{sub 2} ice. In the absence of definite H{sub 2}O{sub 2} features, the H{sub 2}O{sub 2} abundance is constrained by its possible contribution to the weak absorption feature near 3.47 {mu}m found on the long-wavelength wing of the 3 {mu}m H{sub 2}O ice band. This gives an average upper limit for H{sub 2}O{sub 2}, as a percentage of H{sub 2}O, of 9% {+-} 4%. This is a strong constraint on parameters for surface chemistry experiments and dense cloud chemistry models.

  14. Thermal hydrogen-atom transfer from methane: A mechanistic exercise

    NASA Astrophysics Data System (ADS)

    Schwarz, Helmut

    2015-06-01

    Hydrogen-atom transfer (HAT) constitutes a key process in a broad range of chemical transformations as it covers heterogeneous, homogeneous, and enzymatic reactions. While open-shell metal oxo species [MO]rad are no longer regarded as being involved in the heterogeneously catalyzed oxidative coupling of methane (2CH4 + → C2H6 + H2O), these reagents are rather versatile in bringing about (gas-phase) hydrogen-atom transfer, even from methane at ambient conditions. In this mini-review, various mechanistic scenarios will be presented, and it will be demonstrated how these are affected by the composition of the metal-oxide cluster ions. Examples will be discussed, how 'doping' the clusters permits the control of the charge and spin situation at the active site and, thus, the course of the reaction. Also, the interplay between supposedly inert support material and the active site - the so-called 'aristocratic atoms' - of the gas-phase catalyst will be addressed. Finally, gas-phase HAT from methane will be analyzed in the broader context of thermal activation of inert Csbnd H bonds by metal-oxo species.

  15. Kinetic modeling of α-hydrogen abstractions from unsaturated and saturated oxygenate compounds by hydrogen atoms.

    PubMed

    Paraskevas, Paschalis D; Sabbe, Maarten K; Reyniers, Marie-Françoise; Papayannakos, Nikos G; Marin, Guy B

    2014-10-01

    Hydrogen-abstraction reactions play a significant role in thermal biomass conversion processes, as well as regular gasification, pyrolysis, or combustion. In this work, a group additivity model is constructed that allows prediction of reaction rates and Arrhenius parameters of hydrogen abstractions by hydrogen atoms from alcohols, ethers, esters, peroxides, ketones, aldehydes, acids, and diketones in a broad temperature range (300-2000 K). A training set of 60 reactions was developed with rate coefficients and Arrhenius parameters calculated by the CBS-QB3 method in the high-pressure limit with tunneling corrections using Eckart tunneling coefficients. From this set of reactions, 15 group additive values were derived for the forward and the reverse reaction, 4 referring to primary and 11 to secondary contributions. The accuracy of the model is validated upon an ab initio and an experimental validation set of 19 and 21 reaction rates, respectively, showing that reaction rates can be predicted with a mean factor of deviation of 2 for the ab initio and 3 for the experimental values. Hence, this work illustrates that the developed group additive model can be reliably applied for the accurate prediction of kinetics of α-hydrogen abstractions by hydrogen atoms from a broad range of oxygenates. PMID:25209711

  16. The confined hydrogen atom: a linear variational approach

    NASA Astrophysics Data System (ADS)

    Aquino, N.; Rojas, R. A.

    2016-01-01

    We study the size effect on the confinement of a hydrogen atom in a spherical box of impenetrable walls. We compute the energy of the ground and a few excited states as a function of the box radius R c . To obtain the energy eigenvalues and eigenfunctions we utilize the linear variational method via a basis set of free-particle-in-a-box wave functions. For small values of R c convergence is attained with a small number of basis set functions, whereas for R c ≥ 5.0 au, it is necessary to use over 100 terms in the expansion.

  17. Electron-impact-ionization cross section for the hydrogen atom

    NASA Astrophysics Data System (ADS)

    Hu, W.; Fang, D.; Wang, Y.; Yang, F.

    1994-02-01

    A distorted-wave Born exchange approximation was used to calculate the cross section for electron-impact ionization of the hydrogen atoms. Both the integral and energy-differential cross section were calculated. The results were compared with the latest experimental data and other theoretical calculations. Comparison shows that the calculations agree with differential cross-section measurements in general. For integral cross sections the calculation shows a better agreement with an earlier measurement [M.B. Shah, D. S. Elliott, and H. B. Gilbody, J. Phys. B 20, 3501 (1987)] in which the cross sections are normalized to the first Born approximation.

  18. Atomic hydrogen cleaning of GaAS Photocathodes

    SciTech Connect

    M. Poelker; J. Price; C. Sinclair

    1997-01-01

    It is well known that surface contaminants on semiconductors can be removed when samples are exposed to atomic hydrogen. Atomic H reacts with oxides and carbides on the surface, forming compounds that are liberated and subsequently pumped away. Experiments at Jefferson lab with bulk GaAs in a low-voltage ultra-high vacuum H cleaning chamber have resulted in the production of photocathodes with high photoelectron yield (i.e., quantum efficiency) and long lifetime. A small, portable H cleaning apparatus also has been constructed to successfully clean GaAs samples that are later removed from the vacuum apparatus, transported through air and installed in a high-voltage laser-driven spin-polarized electron source. These results indicate that this method is a versatile and robust alternative to conventional wet chemical etching procedures usually employed to clean bulk GaAs.

  19. Microwave ionization of hydrogen atoms: Experiment vs classical dynamics

    SciTech Connect

    van Leeuwen, K.A.H.; Oppen, G.V.; Renwick, S.; Bowlin, J.B.; Koch, P.M.; Jensen, R.V.; Rath, O.; Richards, D.; Leopold, J.G.

    1985-11-18

    Ionization of hydrogen atoms with principal quantum number n = 32, 40, and 51--74 by a 9.92-GHz electric field F(t)zF0 cos t was studied with a superimposed static electric field F-bar/sub s/ = 0,2,5,8 V/cm. The measured field strengths F0(10%) at which 10% of the atoms were ionized are in excellent agreement with classical calculations in both one and two spatial dimensions. Covering finer detail as well as gross structure of the n dependence of F0(10%), the agreement supports the application of classical dynamics to the analysis of this strongly perturbed quantum system.

  20. Classical and quantum dynamics of the impulsively driven hydrogen atom

    SciTech Connect

    Melles, M.; Reinhold, C.O.; Burgdoerfer, J. |

    1992-12-01

    We investigate the classical and quantum dynamics of the hydrogen atom in a Rydberg state subject to a sequence of periodic and random pulses. One goal of this study is to test the validity of classical electron transport theories. We analyze the critical momentum transfer for which 10% of the Rydberg atoms are ionized after a large number of pulses as a function of the frequency of the perturbation. The quantum mechanical results for a periodic sequence of pulses exhibit clear structures which are not present in a classical simulation. These structures are shown to vanish for the case of stochastic pulses for which agreement is obtained between the classical and quantum mechanical results. The dynamics of the quantum mechanical periodic system is analyzed in terms of quasi-eigenstates of the period-one time evolution operator.

  1. Classical and quantum dynamics of the impulsively driven hydrogen atom

    SciTech Connect

    Melles, M.; Reinhold, C.O.; Burgdoerfer, J. Oak Ridge National Lab., TN )

    1992-01-01

    We investigate the classical and quantum dynamics of the hydrogen atom in a Rydberg state subject to a sequence of periodic and random pulses. One goal of this study is to test the validity of classical electron transport theories. We analyze the critical momentum transfer for which 10% of the Rydberg atoms are ionized after a large number of pulses as a function of the frequency of the perturbation. The quantum mechanical results for a periodic sequence of pulses exhibit clear structures which are not present in a classical simulation. These structures are shown to vanish for the case of stochastic pulses for which agreement is obtained between the classical and quantum mechanical results. The dynamics of the quantum mechanical periodic system is analyzed in terms of quasi-eigenstates of the period-one time evolution operator.

  2. Ionization of atomic hydrogen by 30 1000 keV antiprotons

    SciTech Connect

    Knudsen, H.; Mikkelsen, U.; Paludan, K.; Kirsebom, K.; Moller, S.P.; Uggerhoj, E.; Slevin, J.; Charlton, M.; Morenzoni, E.

    1995-06-05

    Ionization in collisions between antiprotons and atomic hydrogen is perhaps the least complicated and most fundamental process that can be treated by atomic-collision theory. We present measurements of the ionization cross section for 30--1000 keV antiprotons colliding with atomic hydrogen.

  3. Local Interstellar Magnetic Field Determined from the Interstellar Boundary Explorer Ribbon

    NASA Astrophysics Data System (ADS)

    Zirnstein, E. J.; Heerikhuisen, J.; Funsten, H. O.; Livadiotis, G.; McComas, D. J.; Pogorelov, N. V.

    2016-02-01

    The solar wind emanating from the Sun interacts with the local interstellar medium (LISM), forming the heliosphere. Hydrogen energetic neutral atoms (ENAs) produced by the solar-interstellar interaction carry important information about plasma properties from the boundaries of the heliosphere, and are currently being measured by NASA's Interstellar Boundary Explorer (IBEX). IBEX observations show the existence of a “ribbon” of intense ENA emission projecting a circle on the celestial sphere that is centered near the local interstellar magnetic field (ISMF) vector. Here we show that the source of the IBEX ribbon as a function of ENA energy outside the heliosphere, uniquely coupled to the draping of the ISMF around the heliopause, can be used to precisely determine the magnitude (2.93 ± 0.08 μG) and direction (227.°28 ± 0.°69, 34.°62 ± 0.°45 in ecliptic longitude and latitude) of the pristine ISMF far (∼1000 AU) from the Sun. We find that the ISMF vector is offset from the ribbon center by ∼8.°3 toward the direction of motion of the heliosphere through the LISM, and their vectors form a plane that is consistent with the direction of deflected interstellar neutral hydrogen, thought to be controlled by the ISMF. Our results yield draped ISMF properties close to that observed by Voyager 1, the only spacecraft to directly measure the ISMF close to the heliosphere, and give predictions of the pristine ISMF that Voyager 1 has yet to sample.

  4. Interstellar propagation and the isotopic composition of hydrogen in the galactic cosmic rays

    NASA Technical Reports Server (NTRS)

    Beatty, J. J.

    1985-01-01

    Preliminary results of a study of the propagation of the quartet of stable isotopes of hydrogen and helium are reported. A mean pathlength of 7.5 + or - 0.5 g/sq cms at approximately 300 MeV/nucleon is required to explain the low energy deuterium spectrum. This pathlength is consistent with pathlengths derived from the elements with Z 2, but is a (He-3/He-4) measurement of Jordan and P. Meyer (1984). The propagation calculations reported here incorporate the preliminary results of an updated nuclear interaction cross section survey covering the period since the review by J. P. Meyer (1972).

  5. 1,2-shifts of hydrogen atoms in aryl radicals

    SciTech Connect

    Brooks, M.A.; Scott, L.T.

    1999-06-16

    An energy barrier on the order of 60 kcal/mol is predicted for the 1,2-shift of hydrogen atoms in aryl radicals. Such rearrangements are, therefore, not expected to occur under ordinary laboratory conditions, but they should be prevalent in the aryl radicals formed during combustion, flash vacuum pyrolysis, and other high-temperature gas-phase processes. As a demonstration of this rearrangement, the 2-benzo[c]phenanthryl radical (1) was generated by flash vacuum pyrolysis of the corresponding aryl bromide. A 1,2-shift of hydrogen out of the sterically congested cover region of 1, followed by cyclization and rearomatization of the resulting radical, is proposed to explain the observation of benzo[ghi]fluoranthene as the dominant monomeric product formed. Under the same conditions, [1,3,4,5-{sup 2}H{sub 4}]-2-bromobenzo[c]phenanthrene gives [1,2,3,4-{sup 2}H{sub 4}]-benzo[ghi]fluoranthene as the dominant monomeric product, in accord with the expectation of a deuterium atom 1,2-shift.

  6. Hydrogen-like atom with nonnegative quantum distribution function

    SciTech Connect

    Zorin, A. V. Sevastianov, L. A.

    2007-04-15

    Among numerous approaches to probabilistic interpretation of conventional quantum mechanics (CQM), the closest to N. Bohr's idea of the correspondence principle is the Blokhintzev-Terletsky approach of the quantum distribution function (QDF) on the coordinate-momentum (q, p) phase space. The detailed investigation of this approach has led to the correspondence rule of V.V. Kuryshkin parametrically dependent on a set of auxiliary functions. According to investigations of numerous authors, the existence and the explicit form of QDF depends on the correspondence rule between classical functions A(q, p) and quantum operator A. At the same time, the QDF corresponding to all known quantization rules turns out to be alternating in sign or overly complex valued. Finally nonexistence of nonnegative QDF in CQM was proved. On the other hand, from this follows the possibility to construct quantum mechanics where a nonnegative QDF exists. We consider a certain set of auxiliary functions to construct explicit expressions for operators O(H) for the hydrogen atom. Naturally, these operators differ from the related operator H in CQM, so that spherical coordinates are no longer separable for a hydrogen-like atom in quantum mechanics with nonnegative QDF.

  7. Hot hydrogen atom reactions moderated by H2 and He

    NASA Technical Reports Server (NTRS)

    Aronowitz, S.; Scattergood, T.; Flores, J.; Chang, S.

    1986-01-01

    Photolysis experiments were performed on the H2-CD4-NH3 and He-CD4-NH3 systems. The photolysis (1849 A) involved only NH3. Mixtures of H2:CD4:NH3 included all combinations of the ratios (200,400,800):(10,20,40):4. Two He:CD4:NH3 mixtures were examined where the ratios equalled the combinations 100:(10,20):4. Abstraction of a D from CD4 by the photolytically produced hot hydrogen from ammonia was monitored by mass spectrometric determination of HD. Both experiment and semiempirical hot-atom theory show that H2 is a very poor thermalizer of hot hydrogens with excess kinetic energy of about 2 eV. Applications of the hard-sphere collision model to the H2-CD4-NH3 system resulted in predicted ratios of net HD production to NH3 decomposition that were two orders of magnitude smaller than the experimental ratios. On the other hand, helium is found to be a very efficient thermalizer; here, the classical model yields reasonable agreement with experiments. Application of a semiempirical hot-atom program gave quantitative agreement with experiment for either system.

  8. Atomic hydrogen for low temperature atomic hydrogen masers and in-vacuum dissociators for VLG-11 series masers

    NASA Technical Reports Server (NTRS)

    Vessot, R. F. C.

    1984-01-01

    The operation of a cryogenically-cooled hydrogen maser using an RF plasma dissociator operating at liquid nitrogen temperature (77K) in confunction with a state selector magnet whose dimensions are suitable for slow atoms is studied. The focusing characteristics for a hexapole state selector magnet with maximum fields at the pole tips, provide a maximum acceptance angle for atoms at the most probable velocity in the beam. By thermally isolating the RF circuitry from the dissociator glassware, only dielectric losses in the glass and the energy coupled to the plasma will result in the boil-off of liquid nitrogen. It is estimated that this is about one watt and thus a loss rate of approximately .022 liters pr hour is anticipated.

  9. SECONDARY POPULATION OF INTERSTELLAR NEUTRALS seems deflected to the side

    NASA Astrophysics Data System (ADS)

    Nakagawa, H.; Bzowski, M.; Yamazaki, A.; Fukunishi, H.; Watanabe, S.; Takahashi, Y.; Taguchi, M.

    Recently the neutral hydrogen flow in the inner heliosphere was found to be deflected relative to the helium flow by about 4 degrees Lallement et al 2005 The explanation of this delfection offered was a distortion of the heliosphere under the action of an ambient interstellar magnetic field In a separate study a number of data sets pertaining to interstellar neutral atoms obtained with various techniques were compiled and interpreted as due to an inflow of interstellar gas from an ecliptic longitude shifted by 10 - 40 degrees from the canonical upstream interstellar neutral flow direction at 254 degrees Collier et al 2004 The origin and properties of such a flow is still under debate We have performed a cross-experiment analysis of the heliospheric hydrogen and helium photometric observations performed simltaneously by the Nozomi spacecraft between the Earth and Mars orbit and explored possible deflection of hydrogen and helium flows with respect to the canonical upwind direction For the interpretation we used predictions of a state of the art 3D and fully time-dependent model of the neutral gas in the heliosphere with the boundary conditions ionization rates and radiation pressure taken from literature The model includes two populations of the thermal interstellar hydrogen predicted by the highly-reputed Moscow Monte Carlo model of the heliosphere The agreement between the data and simulations is not satifactory when one assumes that the upwind direction is the same for both populations and identical with the direction derived from inerstellar helium

  10. Plasma Effects on the Metastable Neutral HYDROGEN(2S) Atom.

    NASA Astrophysics Data System (ADS)

    Benage, John Ferns, Jr.

    Atomic radiative processes which occur in plasmas have long been of interest of plasma physicists. The process we are investigating is atomic dipole transitions, specifically transitions from the metastable 2s to the 2p in hydrogen, which are induced by processes which occur in the plasma. An experiment was done to measure the rate of transitions from 2s to 2p in hydrogen. This experiment was divided into two sections. The first was to measure the transition rate in a near equilibrium plasma. The second section measured the transition rate when RF oscillations were imposed on the plasma. The results of the first part of the experiment show that microscopic fluctuating electric fields which are produced by the motions of the charged particles induce transitions from 2s to 2p in hydrogen. The magnitude of this effect is compared to predicted transition rates due to collisions with electrons and ions and to rates predicted for an equilibrium plasma. In the second part of the experiment, the plasma was shown to act as a filter, preventing transitions from being caused by the RF unless the RF was in the range where plasma waves could be launched. The interpretation we give for this effect is that when the oscillations are inducing transitions, it is because plasma waves are being launched in the plasma and it is these waves which are inducing the transitions. These results have a couple of important applications. The results for the equilibrium part of the experiment can be used to explain a limit in the current which is produced by the Lamb-shift polarized ion source. The other important application is the possible use of the effect seen in the RF case as a non-perturbing diagnostic for plasma waves. Since dipole transition rates are proportional to E('2) and very sensitive near resonance, this effect could prove to be more accurate and more sensitive than methods currently used.

  11. Interstellar Gas and a Dark Disk

    NASA Astrophysics Data System (ADS)

    Kramer, Eric David; Randall, Lisa

    2016-10-01

    We introduce a potentially powerful method for constraining or discovering a thin dark matter disk in the Milky Way. The method relies on the relationship between the midplane densities and scale heights of interstellar gas being determined by the gravitational potential, which is sensitive to the presence of a dark disk. We show how to use the interstellar gas parameters to set a bound on a dark disk and discuss the constraints suggested by the current data. However, current measurements for these parameters are discordant, with the uncertainty in the constraint being dominated by the molecular hydrogen midplane density measurement, as well as by the atomic hydrogen velocity dispersion measurement. Magnetic fields and cosmic ray pressure, which are expected to play a role, are uncertain as well. The current models and data are inadequate to determine the disk's existence, but taken at face value, may favor its existence depending on the gas parameters used.

  12. Hydrogen atoms in the inner heliosphere: SWAN-SOHO and MASCS-MESSENGER observations

    NASA Astrophysics Data System (ADS)

    Quémerais, Eric; McClintock, Bill; Holsclaw, Greg; Katushkina, Olga; Izmodenov, Vlad

    2014-10-01

    We present here a study made by two instruments, Mercury Atmospheric and Surface Composition Spectrometer (MASCS) on MErcury Surface, Space ENvironment, GEochemistry, and Ranging (MESSENGER) and Solar Wind Anisotropy (SWAN) on SOHO that observed the interplanetary background in 2010. The combination of these two data sets allows us to perform the first study of the distribution of hydrogen atoms inside the Earth's orbit. Triangulation of the position of the maximum emissivity region (MER) was performed for the data of the Ultraviolet and Visible Spectrometer (UVVS) channel of the MASCS-MESSENGER instrument. We find that the ecliptic longitude of the MER is 253.2°±2.0°. This is the same value that was found from the analysis of the SWAN-SOHO H cell data obtained in 1996. This strongly suggests that the direction of the interstellar hydrogen wind has not changed between 1996 and 2010. We have also determined the distance of the MER to the Sun. We find that the volume emission rate peaks at 2.37 AU ± 0.2 AU from the Sun. This value is a good test for the solar parameters for total H ionization and radiation pressure used in models. Comparison between the two data sets obtained by the UVVS-MASCS channel and SWAN on SOHO allow to derive the intensity between the two spacecraft at peak emission. Based on the SWAN-SOHO calibration, we find an intensity of 80 R ± 36 R. This corresponds to a column density of 1540 m-3 AU × 2.3 ×1014m-2. When divided by the distance between the two spacecraft, we find an average number density of 2300 m-3.

  13. The ground state properties of spin-aligned atomic hydrogen, deuterium, and tritium

    NASA Technical Reports Server (NTRS)

    Etters, R. D.; Dugan, J. V., Jr.; Palmer, R. W.

    1975-01-01

    The internal energy, pressure, and compressibility of ground-state, spin-aligned atomic hydrogen, deuterium, and tritium are calculated assuming that all pair interactions occur via the atomic triplet (spin-aligned) potential. The conditions required to obtain atomic hydrogen and its isotopes in bulk are discussed; such a development would be of value in propulsion systems because of the light mass and energetic recombination of atomic hydrogen. Results show that atomic triplet hydrogen and deuterium remain gaseous at 0 K, and that tritium forms a liquid with a binding energy of approximately -0.75 K per atom at a molar volume of 130 cu cm per mole. The pair distribution function for these systems is calculated, and the predicted superfluid behavior of atomic triplet hydrogen and tritium is briefly discussed.

  14. Deviation from a Maxwellian velocity distribution in regions of interstellar molecular hydrogen

    NASA Technical Reports Server (NTRS)

    Gould, R. J.; Levy, M.

    1976-01-01

    The deviation from a Maxwellian velocity distribution caused by excitation of the J = 2 rotational level of parahydrogen (followed by radiative decay) in a molecular hydrogen gas is investigated. It is noted that inelastic collisions deplete the high-velocity tail of the distribution, while elastic collisions tend to refill it; the resulting steady-state distribution has a small depletion in the tail which slightly reduces the cooling rate of the gas. The elastic-collision transport is approximated by a continuous process, a simplified expression is obtained for the inelastic-collision operator, and the Boltzmann equation is then solved analytically. A correction to the inelastic-collision rate is evaluated, and it is found that the relative magnitude of the effect of tail depletion on the inelastic-collision rate is strongly temperature-dependent. The critical molecular density above which the J = 2 level deexcites by superelastic collisions is shown to be a weak function of temperature.

  15. Atomic interactions and phase transition in hydrogen metal systems

    SciTech Connect

    Shirley, A.I.

    1985-01-01

    The statistical mechanical behavior of H in pure metals and metal alloys is investigated using elasticity theory and lattice-gas models. The interactions between H atoms are separated into elastic and electronic contributions, and only the elastic contributions are evaluated. Three studies are reported: trapping of H by interstitial and substitutional impurities in bbc metals; modeling of H in impure metals; and modeling of H in concentration metal hydrides. The elastic interactions between H and interstitial and substitutional impurities in bbc metals are calculated using the method of lattice statics. Comparison with experimentally-measured trapping energies indicates that trapping by interstitial impurities is due solely to elastic energy, whereas both elastic and electronic interactions contribute to trapping by substitutional impurities. To include the effect of substitutional trapping on the phase transitions of H in metal alloys, the random-field lattice-gas model is developed. Interactions between H atoms are determined using the effective metal atom approximation. Hydrogen-impurity interactions are treated as a random field, in analogy with the random-field Ising model. Phase diagrams of the Nb/sub .95/Mo/sub .05/-H and Nb/sub .85/Mo/sub .15/-H systems are calculated by Monte Carlo simulation using the random-field model. The model gives qualitatively correct predictions of the phase behavior when the random field is included.

  16. Two Wide-Angle Imaging Neutral-Atom Spectrometers and Interstellar Boundary Explorer energetic neutral atom imaging of the 5 April 2010 substorm

    NASA Astrophysics Data System (ADS)

    McComas, D. J.; Buzulukova, N.; Connors, M. G.; Dayeh, M. A.; Goldstein, J.; Funsten, H. O.; Fuselier, S.; Schwadron, N. A.; Valek, P.

    2012-03-01

    This study is the first to combine energetic neutral atom (ENA) observations from Two Wide-Angle Imaging Neutral-Atom Spectrometers (TWINS) and Interstellar Boundary Explorer (IBEX). Here we examine the arrival of an interplanetary shock and the subsequent geomagnetically effective substorm on 5 April 2010, which was associated with the Galaxy 15 communications satellite anomaly. IBEX shows sharply enhanced ENA emissions immediately upon compression of the dayside magnetosphere at 08:26:17+/-9 s UT. The compression drove a markedly different spectral shape for the dayside emissions, with a strong enhancement at energies >1 keV, which persisted for hours after the shock arrival, consistent with the higher solar wind speed, density, and dynamic pressure (˜10 nPa) after the shock. TWINS ENA observations indicate a slower response of the ring current and precipitation of ring current ions as low-altitude emissions ˜15 min later, with the >50 keV ion precipitation leading the <10 keV precipitation by ˜20 min. These observations suggest internal magnetospheric processes are occurring after compression of the magnetosphere and before the ring current ions end up in the loss cone and precipitate into the ionosphere. We also compare MHD simulation results with both the TWINS and IBEX ENA observations; while the overall fluxes and distributions of emissions were generally similar, there were significant quantitative differences. Such differences emphasize the complexity of the magnetospheric system and importance of the global perspective for macroscopic magnetospheric studies. Finally, Appendix A documents important details of the TWINS data processing, including improved binning procedures, smoothing of images to a given level of statistical accuracy, and differential background subtraction.

  17. Hydrogen atom abstraction from organometallic hydrogen sources: First kinetics of H atom abstraction by benzyl radical from `Mo-S-H`

    SciTech Connect

    Birbaum, J.C.; Franz, J.A.; Linehan, J.C.

    1997-12-31

    Hydrogen transfers are very important in catalytic and stoichiometric organometallic reaction schemes, yet few kinetic studies of the transfers from a metal hydride to an organic radical have been performed. To our knowledge there are no kinetic studies of hydrogen atom transfers from atoms attached to metals such as sulfur or oxygen. We present the first study with the extremely fast hydrogen atom transfer from (CpMoSSH){sub 2} to benzyl radical. The rate constant for this reaction was found to be greater than 10{sup 6} M{sup -1}s{sup -1} at room temperature.

  18. Atomic-scale observation of hydrogen-induced crack growth by atom-probe FIM. [Fe-0. 29% Ti

    SciTech Connect

    Kuk, Y.; Pickering, H.W.; Sakurai, T.

    1980-01-01

    Formation and propagation of a microcrack due to hydrogen in a Fe-0.29 wt.% Ti alloy was observed at the atomic scale by field ion microscopy. A microcrack (-20 nm in length) formed and became noticeably large when the tip was heated at 950/sup 0/C in the presence of about 1 torr of Hg. Propagation was reported several times by reheating, until a portion of the tip ruptured and became detached from the tip. Compositional analysis, performed in situ using a high performance atom-probe, identified atomic hydrogen in quantity and some hydrogen molecules and FEH in the crack, but not elsewhere on the surface.

  19. Positron impact excitations of hydrogen atom embedded in weakly coupled plasmas: Formation of Rydberg atoms

    SciTech Connect

    Rej, Pramit; Ghoshal, Arijit

    2014-09-15

    Formation of Rydberg atoms due to 1s→nlm excitations of hydrogen, for arbitrary n, l, m, by positron impact in weakly coupled plasma has been investigated using a distorted-wave theory in the momentum space. The interactions among the charged particles in the plasma have been represented by Debye-Huckel potentials. Making use of a simple variationally determined wave function for the hydrogen atom, it has been possible to obtain the distorted-wave scattering amplitude in a closed analytical form. A detailed study has been made on the effects of plasma screening on the differential and total cross sections in the energy range 20–300 eV of incident positron. For the unscreened case, our results agree nicely with some of the most accurate results available in the literature. To the best of our knowledge, such a study on the differential and total cross sections for 1s→nlm inelastic positron-hydrogen collisions for arbitrary n, l, m in weakly coupled plasmas is the first reported in the literature.

  20. How Ewen and Purcell discovered the 21-cm interstellar hydrogen line.

    NASA Astrophysics Data System (ADS)

    Stephan, K. D.

    1999-02-01

    The story of how Harold Irving Ewen and Edward Mills Purcell detected the first spectral line ever observed in radio astronomy, in 1951, has been told for general audiences by Robert Buderi (1996). The present article has a different purpose. The technical roots of Ewen and Purcell's achievement reveal much about the way science often depends upon "borrowed" technologies, which were not developed with the needs of science in mind. The design and construction of the equipment is described in detail. As Ewen's photographs, records, and recollections show, he and Purcell had access to an unusual combination of scientific knowledge, engineering know-how, critical hardware, and technical assistance at Harvard, in 1950 and 1951. This combination gave them a competitive edge over similar research groups in Holland and Australia, who were also striving to detect the hydrogen line, and who succeeded only weeks after the Harvard researchers did. The story also shows that Ewen and Purcell did their groundbreaking scientific work in the "small-science" style that prevailed before World War II, while receiving substantial indirect help from one of the first big-science projects at Harvard.

  1. Theory of catalytic dissociation of hydrogen atoms on a metal surface

    SciTech Connect

    Konstantinov, O. V. Dymnikov, V. D.; Mittsev, M. A.

    2008-08-15

    The model of hydrogen atom ionization near a metal surface is discussed on the basis of a comparison between the metal work function and the atom ionization energy. In the theoretical calculation, it is shown that the hydrogen atom ionization energy decreases when the atom approaches the metal surface. The ionization energy vanishes when the distance between proton and the metal surface is somewhat less than the Bohr radius.

  2. The HRS GTO program to study the neutral hydrogen column density and D/H ratio in the local interstellar medium

    NASA Technical Reports Server (NTRS)

    Linsky, J. L.; Landsman, W. B.; Heap, S. R.; Savage, B. D.; Smith, A. M.; Brandt, J. C.

    1986-01-01

    Theoretical line profiles are presented that demonstrate why 100,000 spectral resolution and high S/N are needed to derive accurate column densities from spectral lines that lie close to the flat part of the curve of growth and may contain multiple velocity components. The aim of the Space Telescope high-resolution-spectrograph observing program is to obtain column densities in the hydrogen and deuterium Lyman alpha lines along a variety of lines of sight within and extending beyond the local cloudlet, in which the sun is located near an edge. The broad chromospheric Lyman alpha emission lines of late-type stars are used as background sources against which to measure the interstellar absorption features. Profiles of interstellar absorption features in Mg II and Fe II lines will be obtained to derive the broadening parameter and/or identify possible multiple velocity components in the lines of sight.

  3. Entropy and complexity analysis of hydrogenic Rydberg atoms

    NASA Astrophysics Data System (ADS)

    López-Rosa, S.; Toranzo, I. V.; Sánchez-Moreno, P.; Dehesa, J. S.

    2013-05-01

    The internal disorder of hydrogenic Rydberg atoms as contained in their position and momentum probability densities is examined by means of the following information-theoretic spreading quantities: the radial and logarithmic expectation values, the Shannon entropy, and the Fisher information. As well, the complexity measures of Crámer-Rao, Fisher-Shannon, and López Ruiz-Mancini-Calvet types are investigated in both reciprocal spaces. The leading term of these quantities is rigorously calculated by use of the asymptotic properties of the concomitant entropic functionals of the Laguerre and Gegenbauer orthogonal polynomials which control the wavefunctions of the Rydberg states in both position and momentum spaces. The associated generalized Heisenberg-like, logarithmic and entropic uncertainty relations are also given. Finally, application to linear (l = 0), circular (l = n - 1), and quasicircular (l = n - 2) states is explicitly done.

  4. Phase Space Structures Explain Hydrogen Atom Roaming in Formaldehyde Decomposition.

    PubMed

    Mauguière, Frédéric A L; Collins, Peter; Kramer, Zeb C; Carpenter, Barry K; Ezra, Gregory S; Farantos, Stavros C; Wiggins, Stephen

    2015-10-15

    We re-examine the prototypical roaming reaction--hydrogen atom roaming in formaldehyde decomposition--from a phase space perspective. Specifically, we address the question "why do trajectories roam, rather than dissociate through the radical channel?" We describe and compute the phase space structures that define and control all possible reactive events for this reaction, as well as provide a dynamically exact description of the roaming region in phase space. Using these phase space constructs, we show that in the roaming region, there is an unstable periodic orbit whose stable and unstable manifolds define a conduit that both encompasses all roaming trajectories exiting the formaldehyde well and shepherds them toward the H2···CO well.

  5. Inelastic cross sections for positron scattering from atomic hydrogen

    SciTech Connect

    Weber, M.; Hofmann, A.; Raith, W.; Sperber, W.; Jacobsen, F.; Lynn, K.G.

    1994-12-31

    Positronium formation (Ps) cross sections for positrons impinging on atomic hydrogen were measured in the impact energy range from 13eV to 255eV at the High Intensity Positron (HIP) beam at Brookhaven National Laboratory (BNL). The Ps-formation cross section was found to rise rapidly from the threshold at 6.8eV to a maximum value of (2.98 {plus_minus} 0.18) {times} 10{sup {minus}16} cm{sup 2} for {approx} 15eV positrons. By 75eV it drops below the detection limit of 0.17 {times} 10{sup {minus}16} cm{sup 2} which is the present level of statistical uncertainty. The experiment was modified to enable the measurement of doubly differential scattering cross sections.

  6. Ionization of atomic hydrogen in strong infrared laser fields

    SciTech Connect

    Grum-Grzhimailo, Alexei N.; Abeln, Brant; Bartschat, Klaus; Weflen, Daniel; Urness, Timothy

    2010-04-15

    We have used the matrix iteration method of Nurhuda and Faisal [Phys. Rev. A 60, 3125 (1999)] to treat ionization of atomic hydrogen by a strong laser pulse. After testing our predictions against a variety of previous calculations, we present ejected-electron spectra as well as angular distributions for few-cycle infrared laser pulses with peak intensities of up to 10{sup 15} W/cm{sup 2}. It is shown that the convergence of the results with the number of partial waves is a serious issue, which can be managed in a satisfactory way by using the velocity form of the electric dipole operator in connection with an efficient time-propagation scheme.

  7. Entropy and complexity analysis of hydrogenic Rydberg atoms

    SciTech Connect

    Lopez-Rosa, S.; Toranzo, I. V.; Dehesa, J. S.; Sanchez-Moreno, P.

    2013-05-15

    The internal disorder of hydrogenic Rydberg atoms as contained in their position and momentum probability densities is examined by means of the following information-theoretic spreading quantities: the radial and logarithmic expectation values, the Shannon entropy, and the Fisher information. As well, the complexity measures of Cramer-Rao, Fisher-Shannon, and Lopez Ruiz-Mancini-Calvet types are investigated in both reciprocal spaces. The leading term of these quantities is rigorously calculated by use of the asymptotic properties of the concomitant entropic functionals of the Laguerre and Gegenbauer orthogonal polynomials which control the wavefunctions of the Rydberg states in both position and momentum spaces. The associated generalized Heisenberg-like, logarithmic and entropic uncertainty relations are also given. Finally, application to linear (l= 0), circular (l=n- 1), and quasicircular (l=n- 2) states is explicitly done.

  8. High brightness neutral hydrogen in M31: A new probe of interstellar pressure

    NASA Technical Reports Server (NTRS)

    Braun, Robert; Walterbos, Rene

    1990-01-01

    An observational parameter of our own Galaxy, the peak brightness temperature of neutral hydrogen in emission, was determined almost twenty years ago (Burton 1970). This quantity, although possessing a degree of local variations, has a remarkably consistent peak value of 125 K towards spiral arm segments with a few isolated peaks extending to 135 K, once sufficient spatial and velocity resolution are used (less than or equal to 70 pc, less than or equal to 5 km/s) to resolve the emission peaks. The higher spatial and velocity resolution of more recent surveys has not led to the detection of higher brightnesses. For many years this remarkable observational result has received little attention, primarily because similar data for other galaxies, which would allow a meaningful comparison and analysis, did not exist. Recently this situation has changed. A Westerbork survey of M33 (Deul and Van der Hulst 1987, and private comm.) with 40 pc x 8 km/s resolution has revealed consistent peak values of only 95 plus or minus 5 K (although there is still some question of whether the velocity resolution was sufficient in this case), while a Very Large Array (VLA) survey of M31 (Braun 1989a) with 35 pc x 5 km/s resolution has shown consistent peak values but at a temperature of 155 to 165 K. It has become clear that although peak HI brightness seems to be a well-defined quantity within individual galaxies (with a degree of local variation) there are very significant differences in this quantity amongst different galaxies. Researchers embarked on an observational program directed at a sample of 11 nearby galaxies: NGC 55, 247, 7793, 3031, 2366, 2403, 4236, 4826, 4736, 4244, and 5457. They hope to determine the gas properties and phases as a function of both galaxy type and position within the galaxies utilizing high resolution HI observations and optical narrow band imagery and spectroscopy which are now underway.

  9. Cold collisions of atomic hydrogen with antihydrogen atoms: An optical potential approach

    SciTech Connect

    Zygelman, B.; Saenz, Alejandro; Froelich, P.; Jonsell, S.

    2004-04-01

    We present a theory that describes the interaction of hydrogen atoms with antihydrogen at subkelvin temperatures. The formalism includes a nonlocal complex optical potential, whose imaginary component describes the breakup of the H-H-bar complex into positronium and protonium fragments. Using ab inito methods, we construct the imaginary part of the optical potential and calculate the cross sections for fragmentation in ultracold collisions of H and H-bar. We find a 35% reduction in the value of the scattering length from that obtained in the Born-Oppenheimer approximation. We estimate the lifetimes for quasibound states of this complex to fragment into a protonium-positronium pair.

  10. Hydrogen isotopic substitution of solid methylamine through atomic surface reactions at low temperatures: A potential contribution to the D/H ratio of methylamine in molecular clouds

    NASA Astrophysics Data System (ADS)

    Oba, Yasuhiro; Chigai, Takeshi; Osamura, Yoshihiro; Watanabe, Naoki; Kouchi, Akira

    2014-01-01

    We experimentally studied hydrogen (H)-deuterium (D) substitution reactions of solid methylamine (CH3NH2) under astrophysically relevant conditions. We also calculated the potential energy surface for the H-D substitution reactions of methylamine isotopologues using quantum chemical methods. Despite the relatively large energy barrier of more than 18 kJ mol-1, CH3NH2 reacted with D atoms to yield deuterated methylamines at 10 K, suggesting that the H-D substitution reaction proceeds through quantum tunneling. Deuterated methylamines reacted with H atoms as well. On the basis of present results, we propose that methylamine has potential for D enrichment through atomic surface reactions on interstellar grains at very low temperatures in molecular clouds. D enrichment would occur in particular in the methyl group of methylamine.

  11. Transient absorption spectra of the laser-dressed hydrogen atom

    NASA Astrophysics Data System (ADS)

    Murakami, Mitsuko; Chu, Shih-I.

    2013-10-01

    We present a theoretical study of transient absorption spectra of laser-dressed hydrogen atoms, based on numerical solutions of the time-dependent Schrödinger equation. The timing of absorption is controlled by the delay between an extreme ultra violet (XUV) pulse and an infrared (IR) laser field. The XUV pulse is isolated and several hundred attoseconds in duration, which acts as a pump to drive the ground-state electron to excited p states. The subsequent interaction with the IR field produces dressed states, which manifest as sidebands between the 1s-np absorption spectra separated by one IR-photon energy. We demonstrate that the population of dressed states is maximized when the timing of the XUV pulse coincides with the zero crossing of the IR field, and that their energies can be manipulated in a subcycle time scale by adding a chirp to the IR field. An alternative perspective to the problem is to think of the XUV pulse as a probe to detect the dynamical ac Stark shifts. Our results indicate that the accidental degeneracy of the hydrogen excited states is removed while they are dressed by the IR field, leading to large ac Stark shifts. Furthermore, we observe the Autler-Townes doublets for the n=2 and 3 levels using the 656 nm dressing field, but their separation does not agree with the prediction by the conventional three-level model that neglects the dynamical ac Stark shifts.

  12. Positron scattering from hydrogen atom embedded in dense quantum plasma

    SciTech Connect

    Bhattacharya, Arka; Kamali, M. Z. M.; Ghoshal, Arijit; Ratnavelu, K.

    2013-08-15

    Scattering of positrons from the ground state of hydrogen atoms embedded in dense quantum plasma has been investigated by applying a formulation of the three-body collision problem in the form of coupled multi-channel two-body Lippmann-Schwinger equations. The interactions among the charged particles in dense quantum plasma have been represented by exponential cosine-screened Coulomb potentials. Variationally determined hydrogenic wave function has been employed to calculate the partial-wave scattering amplitude. Plasma screening effects on various possible mode of fragmentation of the system e{sup +}+H(1s) during the collision, such as 1s→1s and 2s→2s elastic collisions, 1s→2s excitation, positronium formation, elastic proton-positronium collisions, have been reported in the energy range 13.6-350 eV. Furthermore, a comparison has been made on the plasma screening effect of a dense quantum plasma with that of a weakly coupled plasma for which the plasma screening effect has been represented by the Debye model. Our results for the unscreened case are in fair agreement with some of the most accurate results available in the literature.

  13. Quantum dynamics of hydrogen atoms on graphene. II. Sticking

    SciTech Connect

    Bonfanti, Matteo; Jackson, Bret; Hughes, Keith H.; Burghardt, Irene

    2015-09-28

    Following our recent system-bath modeling of the interaction between a hydrogen atom and a graphene surface [Bonfanti et al., J. Chem. Phys. 143, 124703 (2015)], we present the results of converged quantum scattering calculations on the activated sticking dynamics. The focus of this study is the collinear scattering on a surface at zero temperature, which is treated with high-dimensional wavepacket propagations with the multi-configuration time-dependent Hartree method. At low collision energies, barrier-crossing dominates the sticking and any projectile that overcomes the barrier gets trapped in the chemisorption well. However, at high collision energies, energy transfer to the surface is a limiting factor, and fast H atoms hardly dissipate their excess energy and stick on the surface. As a consequence, the sticking coefficient is maximum (∼0.65) at an energy which is about one and half larger than the barrier height. Comparison of the results with classical and quasi-classical calculations shows that quantum fluctuations of the lattice play a primary role in the dynamics. A simple impulsive model describing the collision of a classical projectile with a quantum surface is developed which reproduces the quantum results remarkably well for all but the lowest energies, thereby capturing the essential physics of the activated sticking dynamics investigated.

  14. Quantum dynamics of hydrogen atoms on graphene. II. Sticking.

    PubMed

    Bonfanti, Matteo; Jackson, Bret; Hughes, Keith H; Burghardt, Irene; Martinazzo, Rocco

    2015-09-28

    Following our recent system-bath modeling of the interaction between a hydrogen atom and a graphene surface [Bonfanti et al., J. Chem. Phys. 143, 124703 (2015)], we present the results of converged quantum scattering calculations on the activated sticking dynamics. The focus of this study is the collinear scattering on a surface at zero temperature, which is treated with high-dimensional wavepacket propagations with the multi-configuration time-dependent Hartree method. At low collision energies, barrier-crossing dominates the sticking and any projectile that overcomes the barrier gets trapped in the chemisorption well. However, at high collision energies, energy transfer to the surface is a limiting factor, and fast H atoms hardly dissipate their excess energy and stick on the surface. As a consequence, the sticking coefficient is maximum (∼0.65) at an energy which is about one and half larger than the barrier height. Comparison of the results with classical and quasi-classical calculations shows that quantum fluctuations of the lattice play a primary role in the dynamics. A simple impulsive model describing the collision of a classical projectile with a quantum surface is developed which reproduces the quantum results remarkably well for all but the lowest energies, thereby capturing the essential physics of the activated sticking dynamics investigated. PMID:26429029

  15. Peripherally hydrogenated neutral polycyclic aromatic hydrocarbons as carriers of the 3 micron interstellar infrared emission complex: results from single-photon infrared emission spectroscopy.

    PubMed

    Wagner, D R; Kim, H S; Saykally, R J

    2000-12-20

    Infrared emission spectra of five gas-phase UV laser-excited polycyclic aromatic hydrocarbons (PAHs) containing aliphatic hydrogens are compared with the main 3.3 microns and associated interstellar unidentified infrared emission bands (UIRs). We show that neutral PAHs can account for the majority of the 3 microns emission complex while making little contribution to the other UIR bands; peripherally hydrogenated PAHs produce a better match to astrophysical data than do those containing methyl side groups; 3.4 microns plateau emission is shown to be a general spectral feature of vibrationally excited PAHs containing aliphatic hydrogens, especially those containing methyl groups; and finally, hot-band and overtone emissions arising from aromatic C-H vibrations are not observed in laboratory emission spectra, and therefore, in contrast to current assignments, are not expected to be observed in the UIRs.

  16. Quantum effects of hydrogen atoms on the dynamical rearrangement of hydrogen-bond networks in liquid water.

    PubMed

    Hyeon-Deuk, Kim; Ando, Koji

    2010-04-28

    Quantum effects such as zero-point energy and delocalization of wave packets (WPs) representing water hydrogen atoms are essential to understand anomalous energetics and dynamics in water. Since quantum calculations of many-body dynamics are highly complicated, no one has yet directly viewed the quantum WP dynamics of hydrogen atoms in liquid water. Our semiquantum molecular dynamics simulation made it possible to observe the hydrogen WP dynamics in liquid water. We demonstrate that the microscopic WP dynamics are closely correlated with and actually play key roles in the dynamical rearrangement in the hydrogen-bond network (HBN) of bulk water. We found the quantum effects of hydrogen atoms on liquid water dynamics such as the rearrangement of HBN and the concomitant fluctuation and relaxation. Our results provide new physical insights on HBN dynamics in water whose significance is not limited to pure liquid dynamics but also a greater understanding of chemical and biological reactions in liquid water.

  17. Kinetic modeling of primary and secondary oxygen atom fluxes at 1 AU

    NASA Astrophysics Data System (ADS)

    Balyukin, Igor; Katushkina, Olga; Alexashov, Dmitry; Izmodenov, Vladislav

    2016-07-01

    The first quantitative measurements of the interstellar heavy (oxygen and neon) neutral atoms obtained on the IBEX spacecraft were presented in Park et al. (ApJS, 2015). Qualitative analysis of these data shows that the secondary component of the interstellar oxygen atoms was also measured along with the primary interstellar atoms. This component is formed near the heliopause due to process of charge exchange of interstellar oxygen ions with hydrogen atoms and its existence in the heliosphere was previously predicted theoretically (Izmodenov et al, 1997, 1999, 2001). Quantitative analysis of fluxes of interstellar heavy neutral atoms is only possible with the help of a model which takes into account both filtration of the primary and origin of the secondary interstellar oxygen in the region of interaction of the solar wind with the local interstellar medium as well as a detailed simulation of the motion of interstellar atoms inside the heliosphere. This simulation must take into account the temporal and heliolatitudinal dependences of ionization, the process of charge exchange with the protons of the solar wind and the effect of the solar gravitational attraction. This paper presents the results of modeling interstellar oxygen and neon atoms in the heliospheric shock layer and inside the heliosphere based on a new three-dimensional kinetic-MHD model of the solar wind interaction with the local interstellar medium (Izmodenov and Alexashov, ApJS, 2015) and the comparison of this results with the data obtained on the IBEX spacecraft.

  18. Schrodinger Equation Solutions that Lead to the Solution for the Hydrogen Atom

    ERIC Educational Resources Information Center

    Newhouse, Paul F.; McGill, K.C.

    2004-01-01

    Two exercises that would provide beginning quantum theory students with an introduction to more advanced quantum mechanical treatments, especially the hydrogen atom are given. The exercises are stepwise in difficulty, leading naturally to the full hydrogen atom development and greatly extend the pedagogy of most multidimensional Cartesian systems…

  19. Which hydrogen atom of toluene protonates PAH molecules in (+)-mode APPI MS analysis?

    PubMed

    Ahmed, Arif; Ghosh, Manik Kumer; Choi, Myung Chul; Choi, Cheol Ho; Kim, Sunghwan

    2013-03-01

    A previous study (Ahmed, A. et al., Anal. Chem. 84, 1146-1151( 2012) reported that toluene used as a solvent was the proton source for polyaromatic hydrocarbon compounds (PAHs) that were subjected to (+)-mode atmospheric-pressure photoionization. In the current study, the exact position of the hydrogen atom in the toluene molecule (either a methyl hydrogen or an aromatic ring hydrogen) involved in the formation of protonated PAH ions was investigated. Experimental analyses of benzene and anisole demonstrated that although the aromatic hydrogen atom of toluene did not contribute to the formation of protonated anthracene, it did contribute to the formation of protonated acridine. Thermochemical data and quantum mechanical calculations showed that the protonation of anthracene by an aromatic ring hydrogen atom of toluene is endothermic, while protonation by a methyl hydrogen atom is exothermic. However, protonation of acridine by either an aromatic ring hydrogen or a methyl hydrogen atom of toluene is exothermic. The different behavior of acridine and anthracene was attributed to differences in gas-phase basicity. It was concluded that both types of hydrogen in toluene can be used for protonation of PAH compounds, but a methyl hydrogen atom is preferred, especially for non-basic compounds.

  20. Positron impact excitations of hydrogen atom embedded in dense quantum plasmas: Formation of Rydberg atoms

    SciTech Connect

    Rej, Pramit; Ghoshal, Arijit

    2014-11-15

    Formation of Rydberg atoms due to 1 s → nlm excitations of hydrogen by positron impact, for arbitrary n, l, m, in dense quantum plasma has been investigated using a distorted wave theory which includes screened dipole polarization potential. The interactions among the charged particles in the plasma have been represented by exponential cosine-screened Coulomb potentials. Making use of a simple variationally determined hydrogen wave function, it has been possible to obtain the distorted wave scattering amplitude in a closed analytical form. A detailed study has been made to explore the structure of differential and total cross sections in the energy range 20–300 eV of incident positron. For the unscreened case, our results agree nicely with some of the most accurate results available in the literature. To the best of our knowledge, such a study on the differential and total cross sections for 1 s → nlm inelastic positron-hydrogen collisions in dense quantum plasma is the first reported in the literature.

  1. Possible interstellar formation of glycine from the reaction of CH2=NH, CO and H2O: catalysis by extra water molecules through the hydrogen relay transport.

    PubMed

    Nhlabatsi, Zanele P; Bhasi, Priya; Sitha, Sanyasi

    2016-01-01

    "How the fundamental life elements are created in the interstellar medium (ISM)?" is one of the intriguing questions related to the genesis of life. Using computational calculations, we have discussed the reaction of CH2=NH, CO and H2O for the formation of glycine, the simplest life element. This reaction proceeds through a concerted mechanism with reasonably large barriers for the cases with one and two water molecules as reactants. For the two water case we found that the extra water molecule exhibits some catalytic role through the hydrogen transport relay effect and the barrier height is reduced substantially compared to the case with one water molecule. These two cases can be treated as ideal cases for the hot-core formation of the interstellar glycine. With an increasing number of water molecules as the reactants, we found that when the numbers of water molecules are three or more than three, the barrier height reduced so drastically that the transition states were more stable than the reactants. Such a situation gives a clear indication that with excess water molecules as the reactants, this reaction will be feasible even under the low temperature conditions existing in the cold interstellar clouds and the exothermic nature of the reaction will be the driving force.

  2. New horizons in chemical propulsion. [processes using free radicals, atomic hydrogen, excited species, etc

    NASA Technical Reports Server (NTRS)

    Cohen, W.

    1973-01-01

    After a review of the work of the late-Fifties on free radicals for propulsion, it is concluded that atomic hydrogen would provide a potentially large increase in specific impulse. Work conducted to find an approach for isolating atomic hydrogen is considered. Other possibilities for obtaining propellants of greatly increased capability might be connected with the technology for the generation of activated states of gases, metallic hydrogen, fuels obtained from other planets, and laser transfer of energy.

  3. On the flux and the energy spectrum of interstellar ions in the solar system

    NASA Technical Reports Server (NTRS)

    Vasyliunas, V. M.; Siscoe, G. L.

    1976-01-01

    The flux density of ions created by ionization of interstellar neutral particles in the solar system and picked up by the solar wind is calculated as a function of the neutral particles. For atomic hydrogen the flux density is estimated to exceed 10,000/sq cm/sec over the distance range from a few to nearly 100 AU. The velocity space distribution of the interstellar ions is calculated under the assumption of no significant energy diffusion but with inclusion of adiabatic effects as well as a possible strong pitch angle diffusion. The energy spectrum is highly nonthermal and much broader than that of the solar wind ions; interstellar protons are easily distinguishable from solar wind protons by their location in velocity space. If charge exchange is an important contributor to the ionization of hydrogen, the observed local intensity of interstellar protons should exhibit time variations correlated with the density changes of the solar wind stream structure.

  4. Apparatus for trapping and thermal detection of atomic hydrogen in high magnetic fields at low temperatures

    NASA Technical Reports Server (NTRS)

    Woollam, J. A.

    1980-01-01

    An apparatus is described in which hydrogen atoms were trapped at temperatures down to 1.1 K in the 11 T field of a large volume superconducting magnet. A high sensitivity thermal detector was used to study trapping and recombination of atoms on the detector surface. The apparatus permits the application of extremely high steady state magnetic fields to study the potential effects of electron spin polarization on the stabilization of hydrogen atoms.

  5. Hydrogen abstraction from the hydrazine molecule by an oxygen atom.

    PubMed

    Spada, Rene F K; Ferrão, Luiz F A; Rocha, Roberta J; Iha, Koshun; Rocco, José A F F; Roberto-Neto, Orlando; Lischka, Hans; Machado, Francisco B C

    2015-03-01

    Thermochemical and kinetics properties of the hydrogen abstraction from the hydrazine molecule (N2H4) by an oxygen atom were computed using high-level ab initio methods and the M06-2X DFT functional with aug-cc-pVXZ (X = T, Q) and maug-cc-pVTZ basis sets, respectively. The properties along the reaction path were obtained using the dual-level methodology to build the minimum energy path with the potential energy surface obtained with the M06-2X method and thermochemical properties corrected with the CCSD(T)/CBS//M06-2X/maug-cc-pVTZ results. The thermal rate constants were calculated in the framework of variational transition-state theory. Wells on both sides of the reaction (reactants and products) were found and considered in the chemical kinetics calculations. Additionally, the product yields were investigated by means of a study of the triplet and singlet surfaces of the N2H4 + O → N2H2 + H2O reaction.

  6. Interstellar matter research with the Copernicus satellite

    NASA Technical Reports Server (NTRS)

    Spitzer, L., Jr.

    1976-01-01

    The use of the Copernicus satellite in an investigation of interstellar matter makes it possible to study absorption lines in the ultraviolet range which cannot be observed on the ground because of atmospheric absorption effects. A brief description is given of the satellite and the instrument used in the reported studies of interstellar matter. The results of the studies are discussed, giving attention to interstellar molecular hydrogen, the chemical composition of the interstellar gas, the coronal gas between the stars, and the interstellar abundance ratio of deuterium to hydrogen.

  7. Charge exchange and ionization in hydrogen atom-fully stripped ion collisions in Debye plasmas

    SciTech Connect

    Zhang, H.; Wang, J. G.; He, B.; Qiu, Y. B.; Janev, R. K.

    2007-05-15

    The processes of charge exchange and ionization in collisions of ground state hydrogen atom with fully stripped ions in a weakly coupled plasma are studied by the classical trajectory Monte Carlo method in the collision energy range 10-900 keV/amu. The interparticle interactions are described by the Debye-Hueckel model with inclusion of dynamical effects associated with the projectile velocity. The microcanonical distribution of initial state electronic coordinates and momenta has been determined by inclusion of plasma screening effects. The cross section dependencies on plasma parameters and ion charge and velocity are investigated. It is shown that plasma effects on charge exchange and ionization cross sections are significant and particularly pronounced at low collision velocities. The results of systematic cross section calculations for different values of Debye screening length (in the range 1-50a{sub 0}) and ion charges (in the range 1-14) are presented.

  8. Elemental nitrogen partitioning in dense interstellar clouds

    PubMed Central

    Daranlot, Julien; Hincelin, Ugo; Bergeat, Astrid; Costes, Michel; Loison, Jean-Christophe; Wakelam, Valentine; Hickson, Kevin M.

    2012-01-01

    Many chemical models of dense interstellar clouds predict that the majority of gas-phase elemental nitrogen should be present as N2, with an abundance approximately five orders of magnitude less than that of hydrogen. As a homonuclear diatomic molecule, N2 is difficult to detect spectroscopically through infrared or millimeter-wavelength transitions. Therefore, its abundance is often inferred indirectly through its reaction product N2H+. Two main formation mechanisms, each involving two radical-radical reactions, are the source of N2 in such environments. Here we report measurements of the low temperature rate constants for one of these processes, the N + CN reaction, down to 56 K. The measured rate constants for this reaction, and those recently determined for two other reactions implicated in N2 formation, are tested using a gas-grain model employing a critically evaluated chemical network. We show that the amount of interstellar nitrogen present as N2 depends on the competition between its gas-phase formation and the depletion of atomic nitrogen onto grains. As the reactions controlling N2 formation are inefficient, we argue that N2 does not represent the main reservoir species for interstellar nitrogen. Instead, elevated abundances of more labile forms of nitrogen such as NH3 should be present on interstellar ices, promoting the eventual formation of nitrogen-bearing organic molecules. PMID:22689957

  9. Elemental nitrogen partitioning in dense interstellar clouds.

    PubMed

    Daranlot, Julien; Hincelin, Ugo; Bergeat, Astrid; Costes, Michel; Loison, Jean-Christophe; Wakelam, Valentine; Hickson, Kevin M

    2012-06-26

    Many chemical models of dense interstellar clouds predict that the majority of gas-phase elemental nitrogen should be present as N(2), with an abundance approximately five orders of magnitude less than that of hydrogen. As a homonuclear diatomic molecule, N(2) is difficult to detect spectroscopically through infrared or millimeter-wavelength transitions. Therefore, its abundance is often inferred indirectly through its reaction product N(2)H(+). Two main formation mechanisms, each involving two radical-radical reactions, are the source of N(2) in such environments. Here we report measurements of the low temperature rate constants for one of these processes, the N + CN reaction, down to 56 K. The measured rate constants for this reaction, and those recently determined for two other reactions implicated in N(2) formation, are tested using a gas-grain model employing a critically evaluated chemical network. We show that the amount of interstellar nitrogen present as N(2) depends on the competition between its gas-phase formation and the depletion of atomic nitrogen onto grains. As the reactions controlling N(2) formation are inefficient, we argue that N(2) does not represent the main reservoir species for interstellar nitrogen. Instead, elevated abundances of more labile forms of nitrogen such as NH(3) should be present on interstellar ices, promoting the eventual formation of nitrogen-bearing organic molecules.

  10. Application of KrCI excilamp for cleaning GaAs surfaces using atomic hydrogen

    NASA Astrophysics Data System (ADS)

    Tarasenko, Victor F.; Kagadei, Valerii A.; Lomaev, Mikhail I.; Panchenko, Alexei N.; Proskurovsky, Dmitrii I.

    1998-06-01

    Novel single block process facility including UV excilamp and sources of atomic hydrogen is described. Circular sealed-off KrCl* excilamp emitting two intensive bands at 195 and 222 nm was used. The source of atomic hydrogen on the base of reflecting Penning arc discharge was placed in line with the lamp. Semiconducting structures were treated in an expanding effusion jet of atomic hydrogen. The possibility to realize the process of cleaning GaAs surface under joint action of atomic hydrogen and UV radiation has been investigated. Effect of UV radiation on the rate of removing oxide layer is found at low temperature (18 - 100 degree(s)C). The mechanism providing an explanation for this event is suggested. The possibility to realize GaAs surface cleaning using successive performing the procedures of the surface treatment by atomic hydrogen, its oxidation with UV- stimulation and additional treatment by atomic hydrogen was also studied. The sources of atomic hydrogen and UV radiation developed allows to improve cleaning control and provides a way of producing the surface with specified properties.

  11. HAAD: A quick algorithm for accurate prediction of hydrogen atoms in protein structures.

    PubMed

    Li, Yunqi; Roy, Ambrish; Zhang, Yang

    2009-08-20

    Hydrogen constitutes nearly half of all atoms in proteins and their positions are essential for analyzing hydrogen-bonding interactions and refining atomic-level structures. However, most protein structures determined by experiments or computer prediction lack hydrogen coordinates. We present a new algorithm, HAAD, to predict the positions of hydrogen atoms based on the positions of heavy atoms. The algorithm is built on the basic rules of orbital hybridization followed by the optimization of steric repulsion and electrostatic interactions. We tested the algorithm using three independent data sets: ultra-high-resolution X-ray structures, structures determined by neutron diffraction, and NOE proton-proton distances. Compared with the widely used programs CHARMM and REDUCE, HAAD has a significantly higher accuracy, with the average RMSD of the predicted hydrogen atoms to the X-ray and neutron diffraction structures decreased by 26% and 11%, respectively. Furthermore, hydrogen atoms placed by HAAD have more matches with the NOE restraints and fewer clashes with heavy atoms. The average CPU cost by HAAD is 18 and 8 times lower than that of CHARMM and REDUCE, respectively. The significant advantage of HAAD in both the accuracy and the speed of the hydrogen additions should make HAAD a useful tool for the detailed study of protein structure and function. Both an executable and the source code of HAAD are freely available at http://zhang.bioinformatics.ku.edu/HAAD.

  12. Ab initio calculations on etching of graphite and diamond surfaces by atomic hydrogen

    SciTech Connect

    Kanai, C.; Watanabe, K.; Takakuwa, Y.

    2001-06-15

    Etching of graphite and hydrogenated diamond C(100) 2{times}1 surfaces by irradiating atomic hydrogen, which is one of the key reactions to promote epitaxial diamond growth by chemical vapor deposition, has been investigated by ab initio pseudopotential calculations. We demonstrate the reaction pathways and determine the activation energies for breaking C-C bonds on the surfaces by irradiating hydrogen atoms. The activation energy for C-C bond breaking on graphite is found to be only one-half of that on the hydrogenated diamond surface. This indicates that graphite, which is a typical nondiamond phase unnecessarily generated on the diamond surface during epitaxial growth, can be selectively eliminated by atomic hydrogen, resulting in methane desorption. Our result supports the growth rate enhancement in diamond epitaxy observed in a recent experiment by gas-source molecular beam epitaxy under hydrogen beam irradiation.

  13. The adsorption of a hydrogen atom on the two types of boron sheets surface

    NASA Astrophysics Data System (ADS)

    Boroznina, E. V.; Borkhoeva, N. N.; Boroznin, S. V.

    2015-01-01

    The possible connection between the atom of hydrogen and the surface of twodimensional boron sheets have been investigated. The calculations were carried out within the model of molecular cluster with the use of quantum chemical MNDO scheme. Two types of BS were studied: triangular BS (TBS) and α-sheet of boron atoms (αBS). The hydrogen atoms attacking BS have been simulated by a step-by-step approach for all atom locations. The surface patterns of potential energy for these processes were built. The analysis of curves showed that the active atom of hydrogen is adsorbed on the surface of BS. The adsorption distances (Rad) and the adsorption energy (Ead) were calculated. We have proved that αBS has a greater sorption capacity than hydrogen TBS.

  14. Molecule formation and infrared emission in fast interstellar shocks. II - Dissociation speeds for interstellar shock waves

    NASA Technical Reports Server (NTRS)

    Hollenbach, D.; Mckee, C. F.

    1980-01-01

    The postshock destruction of molecules is examined, including the processes of (1) collisions with neutral hydrogen atoms and molecules, (2) electronic collisions, and (3) neutral chemical reactions with atoms, particularly atomic hydrogen. By using conservative estimates of collisional dissociation rates from individual vibrational states, it is found that process (1) leads to the destruction of molecular hydrogen behind shocks with speeds equal to or greater than 25 km/s if the preshock molecular gas has hydrogen nucleus densities of equal to or greater than 10 to the 4th/cu cm. At lower densities (100 per cu cm), destruction occurs for shock speeds equal to or greater than 50 km/s and process (2) dominates. Dissociation of molecules such as CO, H2O, and O2 follows the destruction of H2, as the resultant hydrogen atoms chemically dissociate the metal atoms from their bonds (process 3) in the hot postshock gas. These results demonstrate that many of the observed high-speed interstellar molecules, if shock accelerated, must have dissociated and reformed in the postshock gas.

  15. Hydrogen diffusion and stabilization in single-crystal VO2 micro/nanobeams by direct atomic hydrogenation.

    PubMed

    Lin, Jian; Ji, Heng; Swift, Michael W; Hardy, Will J; Peng, Zhiwei; Fan, Xiujun; Nevidomskyy, Andriy H; Tour, James M; Natelson, Douglas

    2014-09-10

    We report measurements of the diffusion of atomic hydrogen in single crystalline VO2 micro/nanobeams by direct exposure to atomic hydrogen, without catalyst. The atomic hydrogen is generated by a hot filament, and the doping process takes place at moderate temperature (373 K). Undoped VO2 has a metal-to-insulator phase transition at ∼340 K between a high-temperature, rutile, metallic phase and a low-temperature, monoclinic, insulating phase with a resistance exhibiting a semiconductor-like temperature dependence. Atomic hydrogenation results in stabilization of the metallic phase of VO2 micro/nanobeams down to 2 K, the lowest point we could reach in our measurement setup. Optical characterization shows that hydrogen atoms prefer to diffuse along the c axis of rutile (a axis of monoclinic) VO2, along the oxygen "channels". Based on observing the movement of the hydrogen diffusion front in single crystalline VO2 beams, we estimate the diffusion constant for hydrogen along the c axis of the rutile phase to be 6.7 × 10(-10) cm(2)/s at approximately 373 K, exceeding the value in isostructural TiO2 by ∼38×. Moreover, we find that the diffusion constant along the c axis of the rutile phase exceeds that along the equivalent a axis of the monoclinic phase by at least 3 orders of magnitude. This remarkable change in kinetics must originate from the distortion of the "channels" when the unit cell doubles along this direction upon cooling into the monoclinic structure. Ab initio calculation results are in good agreement with the experimental trends in the relative kinetics of the two phases. This raises the possibility of a switchable membrane for hydrogen transport.

  16. Trapping of hydrogen atoms in X-irradiated salts at room temperature and the decay kinetics

    NASA Technical Reports Server (NTRS)

    May, C. E.; Philipp, W. H.; Marsik, S. J.

    1974-01-01

    The salts (hypophosphites, formates, a phosphite, a phosphate, and an oxalate) were X-irradiated, whereby hydrogen formed chemically by a radiolytic process becomes trapped in the solid. By room temperature vacuum extraction, the kinetics for the evolution of this trapped hydrogen was studied mass spectrometrically. All salts except two exhibited second-order kinetics. The two exceptions (NaH2PO2(H2O) and K2HPO4) showed first-order kinetics. Based on experimental results, the escape of hydrogen involves three steps: the diffusion of hydrogen atoms from the bulk to the surface, association of these atoms on the surface (rate controlling step for second-order hydrogen evolution), and the desorption of molecular hydrogen from the surface. The hydrogen does not escape if the irradiated salt is stored in air, apparently because adsorbed air molecules occupy surface sites required in the escape mechanism.

  17. The adsorption of atomic hydrogen on tellurium and formation of H 2Te

    NASA Astrophysics Data System (ADS)

    Outka, Duane A.

    1990-09-01

    The adsorption of hydrogen on a polycrystalline tellurium surface has been studied with temperature programmed desorption. Atomic hydrogen adsorbs on a tellurium surface and reacts to form H 2Te. Molecular hydrogen, in contrast, does not adsorb or react with tellurium at temperatures down to 80 K. When a tellurium surface which has been exposed to atomic hydrogen is heated, two desorption products are observed, H 2 and H 2Te. The H 2Te desorbs in three peaks at 130, 150, and 270 K. The H 2 desorbs in two peaks at 150 and 270 K. The desorption peaks at 270 K for both H 2 and H 2Te are unusually broad with a half-width of 80 K, and standard kinetic analysis of these peaks yields unusual desorption parameters. Overall, the adsorption of hydrogen on tellurium is similar to hydrogen adsorption on other covalent solids and differs in several respects from hydrogen adsorbed on metal surfaces.

  18. Ultraviolet observations of cool stars. V - The local density of interstellar matter

    NASA Technical Reports Server (NTRS)

    Mcclintock, W.; Henry, R. C.; Moos, H. W.; Linsky, J. L.

    1976-01-01

    A high-resolution Copernicus observation of the chromospheric Ly-alpha emission line of the nearby (3.3 pc) K dwarf epsilon Eri sets limits on the velocity, the velocity dispersion, and the density of atomic hydrogen in the local interstellar medium. Analysis shows that the interstellar Ly-alpha absorption is on the flat portion of the curve of growth. An upper limit of 0.12 per cu cm is derived for the atomic-hydrogen density. The value of this density is 0.08 (plus or minus 0.04 per cu cm if the velocity-dispersion parameter is 9 km/s, corresponding to a temperature of 5000 K. Also, the interstellar deuterium Ly-alpha line may be present in the spectrum.

  19. Interstellar processes; Proceedings of the Symposium, Grand Teton National Park, WY, July 1-7, 1986

    NASA Technical Reports Server (NTRS)

    Hollenbach, David J. (Editor); Thronson, Harley A., Jr. (Editor)

    1987-01-01

    The conference presents papers on the Milky Way as a galaxy; observations of components of the interstellar medium; interstellar magnetic properties; interstellar processes on a galactic scale; dynamical processes in interstellar clouds; interstellar dust grains; interstellar chemical processes; and heating, cooling, and radiative processes. Attention is given to H2 in the Galaxy, hot interstellar gas in the Galactic disk and halo, interstellar magnetic fields, cloud formation and destruction, theoretical approaches to interstellar turbulence, and infrared absorption and emission characteristics of interstellar PAHs. Other topics include gas phase chemical processes in molecular clouds, the chemical evolution of galaxies, and the atomic and molecular physics of interstellar heating and cooling.

  20. Interstellar processes; Proceedings of the Symposium, Grand Teton National Park, WY, July 1-7, 1986

    NASA Astrophysics Data System (ADS)

    Hollenbach, David J.; Thronson, Harley A., Jr.

    The conference presents papers on the Milky Way as a galaxy; observations of components of the interstellar medium; interstellar magnetic properties; interstellar processes on a galactic scale; dynamical processes in interstellar clouds; interstellar dust grains; interstellar chemical processes; and heating, cooling, and radiative processes. Attention is given to H2 in the Galaxy, hot interstellar gas in the Galactic disk and halo, interstellar magnetic fields, cloud formation and destruction, theoretical approaches to interstellar turbulence, and infrared absorption and emission characteristics of interstellar PAHs. Other topics include gas phase chemical processes in molecular clouds, the chemical evolution of galaxies, and the atomic and molecular physics of interstellar heating and cooling.

  1. Ab Initio Vibrational Levels For HO2 and Vibrational Splittings for Hydrogen Atom Transfer

    NASA Technical Reports Server (NTRS)

    Barclay, V. J.; Dateo, Christopher E.; Hamilton, I. P.; Arnold, James O. (Technical Monitor)

    1994-01-01

    We calculate vibrational levels and wave functions for HO2 using the recently reported ab initio potential energy surface of Walch and Duchovic. There is intramolecular hydrogen atom transfer when the hydrogen atom tunnels through a T-shaped saddle point separating two equivalent equilibrium geometries, and correspondingly, the energy levels are split. We focus on vibrational levels and wave functions with significant splitting. The first three vibrational levels with splitting greater than 2/cm are (15 0), (0 7 1) and (0 8 0) where V(sub 2) is the O-O-H bend quantum number. We discuss the dynamics of hydrogen atom transfer; in particular, the O-O distances at which hydrogen atom transfer is most probable for these vibrational levels. The material of the proposed presentation was reviewed and the technical content will not reveal any information not already in the public domain and will not give any foreign industry or government a competitive advantage.

  2. Simulation of diffusion of hydrogen atoms in the lattice of tungsten

    NASA Astrophysics Data System (ADS)

    Degtyarenko, N. N.; Pisarev, A. A.

    2016-09-01

    Results of DFT calculations of the activation energy for diffusion and vibrational spectra of interstitial hydrogen atoms in the lattice of tungsten are presented. The temperature dependences of the diffusion coefficient are calculated and compared with experimental data.

  3. Direct observation of hydrogen atom dynamics and interactions by ultrahigh resolution neutron protein crystallography.

    PubMed

    Chen, Julian C-H; Hanson, B Leif; Fisher, S Zoë; Langan, Paul; Kovalevsky, Andrey Y

    2012-09-18

    The 1.1 Å, ultrahigh resolution neutron structure of hydrogen/deuterium (H/D) exchanged crambin is reported. Two hundred ninety-nine out of 315, or 94.9%, of the hydrogen atom positions in the protein have been experimentally derived and resolved through nuclear density maps. A number of unconventional interactions are clearly defined, including a potential O─H…π interaction between a water molecule and the aromatic ring of residue Y44, as well as a number of potential C─H…O hydrogen bonds. Hydrogen bonding networks that are ambiguous in the 0.85 Å ultrahigh resolution X-ray structure can be resolved by accurate orientation of water molecules. Furthermore, the high resolution of the reported structure has allowed for the anisotropic description of 36 deuterium atoms in the protein. The visibility of hydrogen and deuterium atoms in the nuclear density maps is discussed in relation to the resolution of the neutron data.

  4. Quantum beats in hydrogen and antihydrogen atoms in an external electric field.

    PubMed

    Labzowsky, L; Sharipov, V

    2004-04-01

    An effect of quantum beats that arises due to the coherent excitation of 2s and 2p states of hydrogen and antihydrogen atoms in an external electric field is described. It is shown that the quantum beat signal contains terms linear in electric field, i.e., is of opposite sign for the hydrogen and antihydrogen atoms. The conditions for the observation of this effect are discussed.

  5. Erwin Schrödinger, Wave Mechanics, and the Hydrogen Atom

    NASA Astrophysics Data System (ADS)

    de Lange, Owen L.

    1996-06-01

    A brief account is given of some of the main events in Erwin Schrödinger's life, the circumstances leading to his discovery of wave mechanics in 1925-1926, and the application of this mechanics to a model of the hydrogen atom. Two methods of solving this model are outlined, namely, Sommerfeld's polynomial method and Schrödinger's shift operator method. The relation to Pauli's analysis of the quantum-mechanical hydrogen atom is also discussed.

  6. Evidence of wave-particle duality for single fast hydrogen atoms.

    PubMed

    Schmidt, H T; Fischer, D; Berenyi, Z; Cocke, C L; Gudmundsson, M; Haag, N; Johansson, H A B; Källberg, A; Levin, S B; Reinhed, P; Sassenberg, U; Schuch, R; Simonsson, A; Støchkel, K; Cederquist, H

    2008-08-22

    We report the direct observation of interference effects in a Young's double-slit experiment where the interfering waves are two spatially separated components of the de Broglie wave of single 1.3 MeV hydrogen atoms formed close to either target nucleus in H++H2 electron-transfer collisions. Quantum interference strongly influences the results even though the hydrogen atoms have a de Broglie wavelength, lambda_{dB}, as small as 25 fm.

  7. The isotopes of hydrogen and helium in the Galactic cosmic radiation - Their source abundances and interstellar propagation

    NASA Technical Reports Server (NTRS)

    Beatty, James J.

    1986-01-01

    A self-consistent model describing the interstellar propagation of Galactic cosmic radiation is developed using low-energy measurements and calculations of the effects of interstellar propagation and solar modulation. The source ratio H-1/He-4 at constant energy per nucleon is determined to be 12.2 + or - 1.5, and the mean path length for an exponential path length weighting function required to account for the data is 7.2 + or - 1.0 g/sq cm. The measured H-2/He-4 and He-3/He-4 ratios do not vary by more than about 30 percent over the solar cycle. The behavior of the ratios during the solar cycle reflects the energy dependence of the local interstellar ratios, and leads to an energy dependence of the mean path length below 1 GeV per nucleon weaker than that inferred from boron/carbon. The source ratio H-1/He-4 inferred from the low-energy data is consistent both with the value inferred from high-energy cosmic ray data using a model of rigidity-dependent confinement and with the solar system abundance ratio.

  8. Enhancement of electrical conductivity and electrochemical activity of hydrogenated amorphous carbon by incorporating boron atoms

    NASA Astrophysics Data System (ADS)

    Naragino, Hiroshi; Yoshinaga, Kohsuke; Nakahara, Akira; Tanaka, Sakuya; Honda, Kensuke

    2013-06-01

    Conductive boron-doped hydrogenated amorphous carbon (B-DLC) thin films were successfully synthesized with RF plasma-enhanced CVD method. By incorporating boron atoms in amorphous carbon, conduction types were changed from n- to p-type, and volume resistivity was decreased from 30.4 (non-doped) to 6.36 × 10-2 Ω cm (B/C = 2.500 atom%). B-DLC film with sp2/(sp2 + sp3) carbons of 75 atom% exhibited high resistance to electrochemically-induced corrosion in strong acid solution. Furthermore, it was clarified that boron atoms in DLC could enhance kinetics of hydrogen evolution during water electrolysis at B-DLC surface. B-DLC is, therefore, a promising electrode material for hydrogen production by increasing the concentration of boron atoms in B-DLC and enhancing the reactivity of H2 evolution.

  9. Atomic-Scale Mechanism for Hydrogenation of o-Cresol on Pt Catalysis

    NASA Astrophysics Data System (ADS)

    Li, Yaping; Liu, Zhimin; Xue, Wenhua; Crossley, Steven; Jentoft, Friederike; Wang, Sanwu

    Biofuels derived from lignocellulosic biomass have received significant attention lately due to increasing environmental concerns. With first-principles density-functional theory and ab initio molecular dynamic simulations, we investigated the atomic-scale mechanism of o-cresol hydrogenation on the Pt(111) surface. The formation of 2-methyl-cyclohexanone (the intermediate product) was found to involve two steps. The first step is the dehydrogenation, that is, the H atom in the hydroxyl group moves to the Pt surface. The second step is the hydrogenation, that is, the H atoms on Pt react with the carbon atoms in the aromatic ring. The first step involves a smaller barrier, suggesting that dehydrogenation occurs first, followed by hydrogenation of the ring. In particular, tautomerization is found to occur via a two-step process over the catalyst. On the other hand, 2-methyl-cyclohexanol (the final product) is produced through two paths. One is direct hydrogenation of the aromatic ring. Another pathway includes partial hydrogenation of the ring, dehydrogenation of -OH group, finally hydrogenation of remaining C atoms and the O atom. Our theoretical results agree well with the experimental observations. Supported by DOE (DE-SC0004600). This research used the supercomputer resources of NERSC, XSEDE, TACC.

  10. Fluorescence (TALIF) measurement of atomic hydrogen concentration in a coplanar surface dielectric barrier discharge

    NASA Astrophysics Data System (ADS)

    Mrkvičková, M.; Ráheľ, J.; Dvořák, P.; Trunec, D.; Morávek, T.

    2016-10-01

    Spatially and temporally resolved measurements of atomic hydrogen concentration above the dielectric of coplanar barrier discharge are presented for atmospheric pressure in 2.2% H2/Ar. The measurements were carried out in the afterglow phase by means of two-photon absorption laser-induced fluorescence (TALIF). The difficulties of employing the TALIF technique in close proximity to the dielectric surface wall were successfully addressed by taking measurements on a suitable convexly curved dielectric barrier, and by proper mathematical treatment of parasitic signals from laser-surface interactions. It was found that the maximum atomic hydrogen concentration is situated closest to the dielectric wall from which it gradually decays. The maximum absolute concentration was more than 1022 m-3. In the afterglow phase, the concentration of atomic hydrogen above the dielectric surface stays constant for a considerable time (10 μs-1 ms), with longer times for areas situated farther from the dielectric surface. The existence of such a temporal plateau was explained by the presented 1D model: the recombination losses of atomic hydrogen farther from the dielectric surface are compensated by the diffusion of atomic hydrogen from regions close to the dielectric surface. The fact that a temporal plateau exists even closest to the dielectric surface suggests that the dielectric surface acts as a source of atomic hydrogen in the afterglow phase.

  11. Interstellar molecules

    NASA Astrophysics Data System (ADS)

    Smith, D.

    1987-09-01

    Some 70 different molecular species have so far been detected variously in diffuse interstellar clouds, dense interstellar clouds, and circumstellar shells. Only simple (diatomic and triatomic) species exist in diffuse clouds because of the penetration of destructive UV radiations, whereas more complex (polyatomic) molecules survive in dense clouds as a result of the shielding against this UV radiation provided by dust grains. A current list of interstellar molecules is given together with a few other molecular species that have so far been detected only in circumstellar shells. Also listed are those interstellar species that contain rare isotopes of several elements. The gas phase ion chemistry is outlined via which the observed molecules are synthesized, and the process by which enrichment of the rare isotopes occurs in some interstellar molecules is described.

  12. The simplicity of perfect atoms: Degeneracies in supersymmetric hydrogen

    DOE PAGES

    Rube, Tomas; Wacker, Jay G.

    2011-06-07

    In this study, supersymmetric QED hydrogen-like bound states are remarkably similar to nonsupersymmetric hydrogen, including an accidental degeneracy of the fine structure and is broken by the Lamb shift. This article classifies the states, calculates the leading order spectrum, and illustrates the results in several limits. The relation to other nonrelativistic bound states is explored.

  13. The simplicity of perfect atoms: Degeneracies in supersymmetric hydrogen

    SciTech Connect

    Rube, Tomas; Wacker, Jay G.

    2011-06-15

    Supersymmetric QED hydrogen-like bound states are remarkably similar to nonsupersymmetric hydrogen, including an accidental degeneracy of the fine structure and is broken by the Lamb shift. This article classifies the states, calculates the leading order spectrum, and illustrates the results in several limits. The relation to other nonrelativistic bound states is explored.

  14. Interstellar H3+

    PubMed Central

    Oka, Takeshi

    2006-01-01

    Protonated molecular hydrogen, H3+, is the simplest polyatomic molecule. It is the most abundantly produced interstellar molecule, next only to H2, although its steady state concentration is low because of its extremely high chemical reactivity. H3+ is a strong acid (proton donor) and initiates chains of ion-molecule reactions in interstellar space thus leading to formation of complex molecules. Here, I summarize the understandings on this fundamental species in interstellar space obtained from our infrared observations since its discovery in 1996 and discuss the recent observations and analyses of H3+ in the Central Molecular Zone near the Galatic center that led to a revelation of a vast amount of warm and diffuse gas existing in the region. PMID:16894171

  15. Interstellar H(3)(+).

    PubMed

    Oka, Takeshi

    2006-08-15

    Protonated molecular hydrogen, H(3)(+), is the simplest polyatomic molecule. It is the most abundantly produced interstellar molecule, next only to H(2), although its steady state concentration is low because of its extremely high chemical reactivity. H(3)(+) is a strong acid (proton donor) and initiates chains of ion-molecule reactions in interstellar space thus leading to formation of complex molecules. Here, I summarize the understandings on this fundamental species in interstellar space obtained from our infrared observations since its discovery in 1996 and discuss the recent observations and analyses of H(3)(+) in the Central Molecular Zone near the Galatic center that led to a revelation of a vast amount of warm and diffuse gas existing in the region.

  16. ATOMIC AND MOLECULAR PHYSICS: Multiphoton ionization of the hydrogen atom exposed to circularly or linearly polarized laser pulses

    NASA Astrophysics Data System (ADS)

    Wang, Pei-Jie; He, Feng

    2009-12-01

    This paper studies the multiphoton ionization of the hydrogen atom exposed to the linearly or circularly polarized laser pulses by solving the time-dependent Schrödinger equation. It finds that the ratio of the ionization probabilities by linearly and circularly polarized laser pulses varies with the numbers of absorbing photons. With the same laser intensity, the circularly polarized laser pulse favors to ionize the atom with more ease than the linearly polarized laser pulse if only two or three photons are necessary to be absorbed. For the higher order multiphoton ionization, the linearly polarized laser pulse has the advantage over circularly polarized laser pulse to ionize the atom.

  17. Hydrogen atoms can be located accurately and precisely by x-ray crystallography

    PubMed Central

    Woińska, Magdalena; Grabowsky, Simon; Dominiak, Paulina M.; Woźniak, Krzysztof; Jayatilaka, Dylan

    2016-01-01

    Precise and accurate structural information on hydrogen atoms is crucial to the study of energies of interactions important for crystal engineering, materials science, medicine, and pharmacy, and to the estimation of physical and chemical properties in solids. However, hydrogen atoms only scatter x-radiation weakly, so x-rays have not been used routinely to locate them accurately. Textbooks and teaching classes still emphasize that hydrogen atoms cannot be located with x-rays close to heavy elements; instead, neutron diffraction is needed. We show that, contrary to widespread expectation, hydrogen atoms can be located very accurately using x-ray diffraction, yielding bond lengths involving hydrogen atoms (A–H) that are in agreement with results from neutron diffraction mostly within a single standard deviation. The precision of the determination is also comparable between x-ray and neutron diffraction results. This has been achieved at resolutions as low as 0.8 Å using Hirshfeld atom refinement (HAR). We have applied HAR to 81 crystal structures of organic molecules and compared the A–H bond lengths with those from neutron measurements for A–H bonds sorted into bonds of the same class. We further show in a selection of inorganic compounds that hydrogen atoms can be located in bridging positions and close to heavy transition metals accurately and precisely. We anticipate that, in the future, conventional x-radiation sources at in-house diffractometers can be used routinely for locating hydrogen atoms in small molecules accurately instead of large-scale facilities such as spallation sources or nuclear reactors. PMID:27386545

  18. Hydrogen atoms can be located accurately and precisely by x-ray crystallography.

    PubMed

    Woińska, Magdalena; Grabowsky, Simon; Dominiak, Paulina M; Woźniak, Krzysztof; Jayatilaka, Dylan

    2016-05-01

    Precise and accurate structural information on hydrogen atoms is crucial to the study of energies of interactions important for crystal engineering, materials science, medicine, and pharmacy, and to the estimation of physical and chemical properties in solids. However, hydrogen atoms only scatter x-radiation weakly, so x-rays have not been used routinely to locate them accurately. Textbooks and teaching classes still emphasize that hydrogen atoms cannot be located with x-rays close to heavy elements; instead, neutron diffraction is needed. We show that, contrary to widespread expectation, hydrogen atoms can be located very accurately using x-ray diffraction, yielding bond lengths involving hydrogen atoms (A-H) that are in agreement with results from neutron diffraction mostly within a single standard deviation. The precision of the determination is also comparable between x-ray and neutron diffraction results. This has been achieved at resolutions as low as 0.8 Å using Hirshfeld atom refinement (HAR). We have applied HAR to 81 crystal structures of organic molecules and compared the A-H bond lengths with those from neutron measurements for A-H bonds sorted into bonds of the same class. We further show in a selection of inorganic compounds that hydrogen atoms can be located in bridging positions and close to heavy transition metals accurately and precisely. We anticipate that, in the future, conventional x-radiation sources at in-house diffractometers can be used routinely for locating hydrogen atoms in small molecules accurately instead of large-scale facilities such as spallation sources or nuclear reactors. PMID:27386545

  19. Hydrogen atoms can be located accurately and precisely by x-ray crystallography.

    PubMed

    Woińska, Magdalena; Grabowsky, Simon; Dominiak, Paulina M; Woźniak, Krzysztof; Jayatilaka, Dylan

    2016-05-01

    Precise and accurate structural information on hydrogen atoms is crucial to the study of energies of interactions important for crystal engineering, materials science, medicine, and pharmacy, and to the estimation of physical and chemical properties in solids. However, hydrogen atoms only scatter x-radiation weakly, so x-rays have not been used routinely to locate them accurately. Textbooks and teaching classes still emphasize that hydrogen atoms cannot be located with x-rays close to heavy elements; instead, neutron diffraction is needed. We show that, contrary to widespread expectation, hydrogen atoms can be located very accurately using x-ray diffraction, yielding bond lengths involving hydrogen atoms (A-H) that are in agreement with results from neutron diffraction mostly within a single standard deviation. The precision of the determination is also comparable between x-ray and neutron diffraction results. This has been achieved at resolutions as low as 0.8 Å using Hirshfeld atom refinement (HAR). We have applied HAR to 81 crystal structures of organic molecules and compared the A-H bond lengths with those from neutron measurements for A-H bonds sorted into bonds of the same class. We further show in a selection of inorganic compounds that hydrogen atoms can be located in bridging positions and close to heavy transition metals accurately and precisely. We anticipate that, in the future, conventional x-radiation sources at in-house diffractometers can be used routinely for locating hydrogen atoms in small molecules accurately instead of large-scale facilities such as spallation sources or nuclear reactors.

  20. A spectroscopic study of hydrogen atom and molecule collision. Final report

    SciTech Connect

    Kielkopf, John F.

    2002-07-01

    The fundamental processes which occur in low-energy collisions of excited states of the hydrogen atom with other neutral atoms, protons, and electrons in dense plasmas were investigated in this project. Theoretical and experimental results for the Lyman and Balmer series are described here, including references to recent publications resulting from this project.

  1. In situ study of erosion and deposition of amorphous hydrogenated carbon films by exposure to a hydrogen atom beam

    SciTech Connect

    Markelj, Sabina; Pelicon, Primoz; Cadez, Iztok; Schwarz-Selinger, Thomas; Jacob, Wolfgang

    2012-07-15

    This paper reports on the first dual-beam experiment employing a hydrogen atom beam for sample exposure and an ion beam for analysis, enabling in situ and real-time studies of hydrogen atom interaction with materials. The erosion of an amorphous hydrogenated carbon (a-C:H) layer by deuterium atoms at 580 K sample temperature was studied and the uptake of deuterium during the erosion process was measured in real time. The deuterium areal density increased at the beginning to 7.3 Multiplication-Sign 10{sup 15} D cm{sup -2}, but then stabilized at a constant value of 5.5 Multiplication-Sign 10{sup 15} D cm{sup -2}. Formation of a polymer-like deposit on an a-C:H layer held at room temperature and subjected to the deuterium atom beam was observed and also studied in situ. For both erosion and deposition studies an a-{sup 13}C:H layer on top of an Si substrate was used as a sample, making the experiments isotopically fully specified and thereby differentiating the deposited from the original layer and the interacting D atoms from H atoms present in the layer and in the residual vacuum. From the deposition study it was shown that carbon in the deposited layer originates from carbon-carrying species in the background vacuum that interact with hydrogen atoms. The areal density of the carbon at the surface was determined from the energy shift of the Si edge in the Rutherford backscattering spectrum. The cross section for {sup 7}Li on D at 4.3 MeV Li ion energy and at a recoil angle of 30 Degree-Sign was also determined to be (236 {+-} 16) Multiplication-Sign 10{sup -27} cm{sup 2}/sr. This is a factor of 3 {+-} 0.2 times higher than the Rutherford elastic cross section.

  2. Trapping of hydrogen atoms inside small beryllium clusters and their ions

    NASA Astrophysics Data System (ADS)

    Naumkin, F. Y.; Wales, D. J.

    2016-08-01

    Structure, stability and electronic properties are evaluated computationally for small Ben (n = 5-9) cluster cages accommodating atomic H inside and forming core-shell species. These parameters are predicted to vary significantly upon insertion of H, for ionic derivatives, and with the system size. In particular, the energy barrier for H-atom exit from the cage changes significantly for ions compared to the neutral counterparts. The corresponding effects predicted for cage assemblies suggest the possibility of efficient charge-control of hydrogen release. This, together with a high capacity for storing hydrogen in extended such assemblies might indicate a possible way towards feasible hydrogen-storage solutions.

  3. Hydrogen atom scrambling in ion-molecule reactions of methane and ethylene.

    NASA Technical Reports Server (NTRS)

    Huntress, W. T., Jr.

    1972-01-01

    The extent of hydrogen atom exchange in the reaction, CH3(+) + CH4 yields C2H5(+) + H2, is determined by examining the product distribution for the reactions CH3(+) + CD4 and CD3(+) + CH4 as a function of relative kinetic energy from thermal energies to 10 eV. It is found that the reaction of CH4(+) with the parent neutral proceeds both via proton transfer and hydrogen abstraction accompanied by approximately 10% hydrogen atom exchange during the reaction.

  4. Formation of interstellar 2,4-pentadiynylidyne, HCCCCC(X 2Pi), via the neutral-neutral reaction of ground state carbon atom, C(3P), with diacetylene, HCCCCH(X 1Sigma(g)+).

    PubMed

    Sun, B J; Huang, C Y; Kuo, H H; Chen, K T; Sun, H L; Huang, C H; Tsai, M F; Kao, C H; Wang, Y S; Gao, L G; Kaiser, R I; Chang, A H H

    2008-06-28

    The interstellar reaction of ground-state carbon atom with the simplest polyyne, diacetylene (HCCCCH), is investigated theoretically to explore probable routes to form hydrogen-deficient carbon clusters at ultralow temperature in cold molecular clouds. The isomerization and dissociation channels for each of the three collision complexes are characterized by utilizing the unrestricted B3LYP/6-311G(d,p) level of theory and the CCSD(T)/cc-pVTZ calculations. With facilitation of RRKM and variational RRKM rate constants at collision energies of 0-10 kcalmol, the most probable paths, thus reaction mechanism, are determined. Subsequently, the corresponding rate equations are solved that the evolutions of concentrations of collision complexes, intermediates, and products versus time are obtained. As a result, the final products and yields are identified. This study predicts that three collision complexes, c1, c2, and c3, would produce a single final product, 2,4-pentadiynylidyne, HCCCCC(X (2)Pi), C(5)H (p1)+H, via the most stable intermediate, carbon chain HC(5)H (i4). Our investigation indicates the title reaction is efficient to form astronomically observed 2,4-pentadiynylidyne in cold molecular clouds, where a typical translational temperature is 10 K, via a single bimolecular gas phase reaction.

  5. Identification of titanium-hydrogen complexes with up to four hydrogen atoms in silicon

    SciTech Connect

    Scheffler, L.; Kolkovsky, Vl. Weber, J.

    2015-02-28

    Using high-resolution Laplace deep level transient spectroscopy studies, several TiH-related complexes (E40′, E170, E170′, and E260) were observed in wet-chemically etched and H-plasma treated n-type Si. We assign E40′ and E170 to two different configurations of Ti with one H atom. Both of them are shown to behave as single donor states with an activation enthalpy of E{sub C} − 0.07 eV (E40′) and E{sub C} − 0.34 eV (E170) in the upper half of Si. E170′ with an activation energy of E{sub C} − 0.37 eV is correlated with the donor state of the Ti{sub i}H{sub 2} defect, whereas E260 is attributed to the donor state of Ti{sub i}H{sub 3}. Besides the TiH defects, the presence of electrically inactive TiH{sub 4} is reported. No titanium-hydrogen-related levels were observed in p-type Si.

  6. The interstellar gas experiment

    NASA Technical Reports Server (NTRS)

    Lind, D. L.; Geiss, J.; Buehler, F.; Eugster, O.

    1992-01-01

    The Interstellar Gas Experiment (IGE) exposed thin metallic foils to collect neutral interstellar gas particles. These particles penetrate the solar system due to their motion relative to the sun. Thus, it is possible to entrap them in the collecting foils along with precipitating magnetospheric and perhaps some ambient atmospheric particles. For the entire duration of the Long Duration Exposure Facility (LDEF) mission, seven of these foils collected particles arriving from seven different directions as seen from the spacecraft. In the mass spectroscopic analysis of the noble gas component of these particles, we have detected the isotopes of He-3, He-4, Ne-20, and Ne-22. In the foil analyses carried out so far, we find a distribution of particle arrival directions which shows that a significant part of the trapped particles are indeed interstellar atoms. The analysis needed to subtract the competing fluxes of magnetospheric and atmospheric particles is still in progress.

  7. Optical radiation and ionization of hydrogen atoms in heterogeneous exothermal reactions proceeding in an electric field

    NASA Astrophysics Data System (ADS)

    Blashenkov, N. M.; Lavrent'ev, G. Ya.

    2009-09-01

    Optical radiation related to the Balmer series (Hα, Hβ, Hγ) of hydrogen atoms is discovered when studying the isothermal reaction of trimeric acetone peroxide decomposition on the surface of oxidized tungsten in a static electric field with a strength of up to 4 × 106 V/cm at T = 300 K. The distance from the surface over which desorbing excited hydrogen atoms radiate is determined from the Stark splitting of the lines. Electronically excited atoms remaining on the surface ionize according to the surface ionization mechanism.

  8. 2s Hyperfine splitting in light hydrogen-like atoms: Theory and experiment

    SciTech Connect

    Karshenboim, S. G. Kolachevsky, N. N.; Ivanov, V. G.; Fischer, M.; Fendel, P.; Haensch, T. W.

    2006-03-15

    Since the combination D{sub 21} = 8f{sub HFS}(2s)-f{sub HFS}(1s) of hyperfine intervals in hydrogen and light two-body hydrogen-like atomic systems weakly depends on the nuclear structure, comparison between theory and experiment can be sensitive to high order QED corrections. New theoretical and experimental results are presented. Calculations have been performed for the hydrogen and deuterium atoms and for the helium-3 ion. Experiments on the 2s hyperfine splitting (responsible for the dominant contribution to the error in D{sub 21}) have been conducted for hydrogen and deuterium. The theory and experiment are in good agreement, and their accuracy is comparable to that attained in verifying the QED theory of the hyperfine splitting in leptonic atoms (muonium and positronium)

  9. Hydrogen trapped in Ben cluster cages: The atomic encapsulation option

    NASA Astrophysics Data System (ADS)

    Naumkin, Fedor Y.; Wales, David J.

    2012-08-01

    Core-shell (kH)@Ben (k = 1-3, n = 6-11) systems are studied computationally. The smallest system with endohedral hydrogen is H@Be6 with a central H anion, thermodynamically stable to dissociation into H + Be6. Larger structures are constructed by merging a few such units and have reduced stability. Potential energy barriers to hydrogen exit from the cage assemblies are estimated. Face- and edge-sharing combinations of the structural units are considered. The extrapolated upper bound for the potential 'nanofoam' material storage capacity is 10 weight-% of hydrogen. The changes in shape and electronic properties of the Ben cages upon insertion of hydrogen are also analyzed.

  10. An improved atomic hydrogen frequency and time standard

    NASA Technical Reports Server (NTRS)

    Mc Gunigal, T. E.; Peters, H. E.

    1969-01-01

    Use of a large bulb, long-multipole magnet, automatic tuner and aluminum cavity provides an improved hydrogen maser which is accurate over long periods of time and suitable for tracking station environments.

  11. Characterization of hot hydrogen-atom reactions by kinetic spectrography.

    NASA Technical Reports Server (NTRS)

    Tomalesky, R. E.; Sturm, J. E.

    1971-01-01

    The flash photolysis of hydrogen iodide in the presence of nitrous oxide, carbon dioxide, and water has been investigated by kinetic spectroscopy. Although the fraction of hydrogen iodide dissociated was very large, the only observable intermediate was imidogen. It was demonstrated that the rapid removal of imidogen and the apparent absence of hydroxyl radicals in each case is a result of the following two reactions, respectively: (1) NH + HI yields NH2 + I; and (2) OH + HI yields H2O + I.

  12. Electron-hole pair excitation determines the mechanism of hydrogen atom adsorption.

    PubMed

    Bünermann, Oliver; Jiang, Hongyan; Dorenkamp, Yvonne; Kandratsenka, Alexander; Janke, Svenja M; Auerbach, Daniel J; Wodtke, Alec M

    2015-12-11

    How much translational energy atoms and molecules lose in collisions at surfaces determines whether they adsorb or scatter. The fact that hydrogen (H) atoms stick to metal surfaces poses a basic question. Momentum and energy conservation demands that the light H atom cannot efficiently transfer its energy to the heavier atoms of the solid in a binary collision. How then do H atoms efficiently stick to metal surfaces? We show through experiments that H-atom collisions at an insulating surface (an adsorbed xenon layer on a gold single-crystal surface) are indeed nearly elastic, following the predictions of energy and momentum conservation. In contrast, H-atom collisions with the bare gold surface exhibit a large loss of translational energy that can be reproduced by an atomic-level simulation describing electron-hole pair excitation. PMID:26612832

  13. Adsorption of atomic hydrogen on ZnO(1010): STM study.

    PubMed

    Yin, Xiu-Li; Birkner, Alexander; Hänel, Kathrin; Löber, Thomas; Köhler, Ulrich; Wöll, Christof

    2006-04-01

    The adsorption of atomic hydrogen on a single crystal ZnO(1010) surface has been studied by scanning tunneling microscopy (STM) under ultrahigh vacuum conditions at room temperature and at elevated temperatures. High resolution STM images indicate that a well-ordered (1x1) H adlayer is formed on the ZnO(1010) surface. The STM data strongly indicate that the hydrogen adsorbs on top of the oxygen atoms forming hydroxyl species. Scanning tunneling spectroscopy (STS) studies reveal a H atom induced metallization at room temperature. In contrast to the clean surface for the hydrogen-covered surface distinct defects structures consisting of missing O and Zn atoms could be identified.

  14. Atomically isolated nickel species anchored on graphitized carbon for efficient hydrogen evolution electrocatalysis.

    PubMed

    Fan, Lili; Liu, Peng Fei; Yan, Xuecheng; Gu, Lin; Yang, Zhen Zhong; Yang, Hua Gui; Qiu, Shilun; Yao, Xiangdong

    2016-01-01

    Hydrogen production through electrochemical process is at the heart of key renewable energy technologies including water splitting and hydrogen fuel cells. Despite tremendous efforts, exploring cheap, efficient and durable electrocatalysts for hydrogen evolution still remains as a great challenge. Here we synthesize a nickel-carbon-based catalyst, from carbonization of metal-organic frameworks, to replace currently best-known platinum-based materials for electrocatalytic hydrogen evolution. This nickel-carbon-based catalyst can be activated to obtain isolated nickel atoms on the graphitic carbon support when applying electrochemical potential, exhibiting highly efficient hydrogen evolution performance with high exchange current density of 1.2 mA cm(-2) and impressive durability. This work may enable new opportunities for designing and tuning properties of electrocatalysts at atomic scale for large-scale water electrolysis. PMID:26861684

  15. Atomically isolated nickel species anchored on graphitized carbon for efficient hydrogen evolution electrocatalysis

    PubMed Central

    Fan, Lili; Liu, Peng Fei; Yan, Xuecheng; Gu, Lin; Yang, Zhen Zhong; Yang, Hua Gui; Qiu, Shilun; Yao, Xiangdong

    2016-01-01

    Hydrogen production through electrochemical process is at the heart of key renewable energy technologies including water splitting and hydrogen fuel cells. Despite tremendous efforts, exploring cheap, efficient and durable electrocatalysts for hydrogen evolution still remains as a great challenge. Here we synthesize a nickel–carbon-based catalyst, from carbonization of metal-organic frameworks, to replace currently best-known platinum-based materials for electrocatalytic hydrogen evolution. This nickel-carbon-based catalyst can be activated to obtain isolated nickel atoms on the graphitic carbon support when applying electrochemical potential, exhibiting highly efficient hydrogen evolution performance with high exchange current density of 1.2 mA cm−2 and impressive durability. This work may enable new opportunities for designing and tuning properties of electrocatalysts at atomic scale for large-scale water electrolysis. PMID:26861684

  16. Symmetry in chemistry from the hydrogen atom to proteins

    PubMed Central

    Kellman, Michael E.

    1996-01-01

    The last 2 decades have seen discoveries in highly excited states of atoms and molecules of phenomena that are qualitatively different from the “planetary” model of the atom, and the near-rigid model of molecules, characteristic of these systems in their low-energy states. A unified view is emerging in terms of approximate dynamical symmetry principles. Highly excited states of two-electron atoms display “molecular” behavior of a nonrigid linear structure undergoing collective rotation and vibration. Highly excited states of molecules described in the “standard molecular model” display normal mode couplings, which induce bifurcations on the route to molecular chaos. New approaches such as rigid–nonrigid correlation, vibrons, and quantum groups suggest a unified view of collective electronic motion in atoms and nuclear motion in molecules. PMID:8962040

  17. Positron scattering from hydrogen atom with screened Coulomb potentials

    SciTech Connect

    Ghoshal, Arijit; Nayek, Sujay; Kamali, M. Z. M.; Ratnavelu, K.

    2014-03-05

    Elastic positron-hydrogen collisions with screened Coulomb potentials have been investigated using a second-order distorted wave Born approximation in the momentum space. Two types of potentials have been considered, namely, static screened Coulomb potential and exponential cosine-screened Coulomb potential. Using a simple variationally determined hydrogenic wave function it has been possible to obtain the scattering amplitude in a closed form. A detailed study has been made on the differential and total cross sections in the energy range 20–300 eV.

  18. Hydrogen bond cooperativity in water hexamers: atomic energy perspective of local stabilities.

    PubMed

    Albrecht, Laura; Chowdhury, Saptarshi; Boyd, Russell J

    2013-10-17

    Atomic energies are used to describe local stability in eight low-lying water hexamers: prism, cage, boat 1, boat 2, bag, chair, book 1, and book 2. The energies are evaluated using the quantum theory of atoms in molecules (QTAIM) at MP2/aug-cc-pVTZ geometries. It is found that the simple, stabilizing cooperativity observed in linear hydrogen-bonded water systems is diminished as clusters move from nearly planar to three-dimensional structures. The prism, cage, and bag clusters can have local water stabilities differing up to 5 kcal mol(-1) as a result of mixed cooperative and anticooperative interactions. At the atomic level, in many cases a water may have a largely stabilized oxygen atom but the net water stability will be diminished due to strong destabilization of the water's hydrogen atoms. Analysis of bond critical point (BCP) electron densities shows that the reduced cooperativity results in a decrease in hydrogen bond strength and an increase in covalent bond strength, most evident in the prism. The chair, with the greatest cooperativity, has the largest average electron density at the BCP per hydrogen bond, whereas the cage has the largest total value for BCP density at all hydrogen bonds. The cage also has the second largest value (after the prism) for covalent bond critical point densities and an oxygen-oxygen BCP which may factor into the experimentally observed stability of the structure.

  19. Hydrogen-induced atomic rearrangement in MgPd{sub 3}

    SciTech Connect

    Kohlmann, H. . E-mail: h.kohlmann@mx.uni-saarland.de; Renaudin, G.; Yvon, K.; Wannek, C.; Harbrecht, B.

    2005-04-15

    The hydrogenation behavior of MgPd{sub 3} has been studied by in situ X-ray powder diffraction and by neutron powder diffraction. At room temperature and p {approx}500kPa hydrogen pressure its structure is capable of incorporating up to one hydrogen atom per formula unit ({alpha}-MgPd{sub 3}H{sub {approx}}{sub 1}), thereby retaining a tetragonal ZrAl{sub 3}-type metal atom arrangement. Upon heating to 750K in a hydrogen atmosphere of 610kPa it transforms into a cubic modification with AuCu{sub 3}-type metal atom arrangement ({beta}-MgPd{sub 3}H{sub {approx}}{sub 0.7}). Neutron diffraction on the deuteride reveals an anion deficient anti-perovskite-type structure ({beta}-MgPd{sub 3}D{sub 0.67}, a=398.200(7)pm) in which octahedral sites surrounded exclusively by palladium atoms are occupied by deuterium. Complete removal of hydrogen (480K, 1Pa) stabilizes a new binary modification ({beta}-MgPd{sub 3}, a=391.78(2)pm) crystallizing with a primitive cubic AuCu{sub 3}-type structure. Mechanical treatment (grinding) transforms both {alpha} and {beta} modifications of MgPd{sub 3} into a cubic face-centered solid solution Mg{sub 0.25}Pd{sub 0.75} showing a random distribution of magnesium and palladium atoms.

  20. Hydrogen Atom Reactivity toward Aqueous tert-Butyl Alcohol

    SciTech Connect

    Lymar S. V.; Schwarz, H.A.

    2012-02-09

    Through a combination of pulse radiolysis, purification, and analysis techniques, the rate constant for the H + (CH{sub 3}){sub 3}COH {yields} H{sub 2} + {sm_bullet}CH{sub 2}C(CH{sub 3}){sub 2}OH reaction in aqueous solution is definitively determined to be (1.0 {+-} 0.15) x 10{sup 5} M{sup -1} s{sup -1}, which is about half of the tabulated number and 10 times lower than the more recently suggested revision. Our value fits on the Polanyi-type, rate-enthalpy linear correlation ln(k/n) = (0.80 {+-} 0.05){Delta}H + (3.2 {+-} 0.8) that is found for the analogous reactions of other aqueous aliphatic alcohols with n equivalent abstractable H atoms. The existence of such a correlation and its large slope are interpreted as an indication of the mechanistic similarity of the H atom abstraction from {alpha}- and {beta}-carbon atoms in alcohols occurring through the late, product-like transition state. tert-Butyl alcohol is commonly contaminated by much more reactive secondary and primary alcohols (2-propanol, 2-butanol, ethanol, and methanol), whose content can be sufficient for nearly quantitative scavenging of the H atoms, skewing the H atom reactivity pattern, and explaining the disparity of the literature data on the H + (CH{sub 3}){sub 3}COH rate constant. The ubiquitous use of tert-butyl alcohol in pulse radiolysis for investigating H atom reactivity and the results of this work suggest that many other previously reported rate constants for the H atom, particularly the smaller ones, may be in jeopardy.

  1. Carbon chain abundance in the diffuse interstellar medium.

    PubMed

    Allamandola, L J; Hudgins, D M; Bauschlicher, C W; Langhoff, S R

    1999-12-10

    Thanks to the mid-IR sensitivities of the ISO and IRTS orbiting spectrometers it is now possible to search the diffuse interstellar medium for heretofore inaccessible molecular emission. In view of the recent strong case for the presence of C(7-) (Kirkwood et al. 1998, Tulej et al. 1998),and the fact that carbon chains possess prominent infrared active modes in a very clean portion of the interstellar spectrum, we have analyzed the IRTS spectrum of the diffuse interstellar medium for the infrared signatures of these species. Theoretical and experimental infrared band frequencies and absolute intensities of many different carbon chain species are presented. These include cyanopolyynes, neutral and anionic linear carbon molecules, and neutral and ionized, even-numbered, hydrogenated carbon chains. We show that--as a family--these species have abundances in the diffuse ISM on the order of 10(-10) with respect to hydrogen, values consistent with their abundances in dense molecular clouds. Assuming an average length of 10 C atoms per C-chain implies that roughly a millionth of the cosmically available carbon is in the form of carbon chains and that carbon chains can account for a few percent of the visible to near-IR diffuse interstellar band (DIB) total equivalent width (not DIB number).

  2. H3+ in the diffuse interstellar medium.

    PubMed

    Liszt, Harvey S

    2006-11-15

    Three forms of solely hydrogen-bearing molecules--H2, HD and H3+--are observed in diffuse or optically transparent interstellar clouds. Although no comprehensive theory exists for the diffuse interstellar medium or its chemistry, the abundances of these species can generally be accommodated locally within the existing static equilibrium frameworks for heating/cooling, H2-formation on large grains, etc. with one modification demanded equally by observations of HD and H3+, i.e. a pervasive low-level source of H and H2 ionization ca 10 times faster than the usual cosmic ray ionization rate zetaH = 10(-17) s(-1) per free H-atom. We discuss this situation with reference to observation and time-dependent modelling of H2 and H3+ formation. While not wishing to appear ungrateful for the success of what are very simplistic notions of the interstellar medium, we point out several reasons not to feel smug. The equilibrium conditions which foster high H2 and H3+ abundances are very slow to appear and these same simple ideas of static equilibrium cannot explain any, but a few, of the simplest of the trace species, which are ubiquitously embedded in H2-bearing diffuse gases.

  3. A New Time-Dependent Scattering Theory: Application to the Capture of Antiprotons by Hydrogen Atoms and Helium Atoms

    SciTech Connect

    Tong, X. M.; Hino, K.; Toshima, N.

    2008-08-08

    We present a theoretical method for Coulomb three-body rearrangement collisions solving a Chew-Goldberger-type integral equation directly. The scattering boundary condition is automatically satisfied by adiabatically switching on the interaction between the projectile and target. Hence the outgoing wave function is obtained without the tedious procedure of adjusting the total wave function in the asymptotic region. All the dynamical information can be derived from the scattering wave function obtained on pseudo-spectral grids numerically. Using this method, we obtained the state-specified capture cross sections when antiprotons collide with hydrogen atoms or helium atoms. Differing from the capture processes of antiprotons by hydrogen atoms, the anomalous bumpy structures are revealed in the total angular momentum dependent capture cross sections by helium atoms. Further analysis shows that the bumps arise from the partial channel closing due to the removal of the energy degeneracy in the antiprotonic helium atom. The ejected electron energy distributions are also provided for the comparison with future experiments.

  4. Simulations of a Dynamic Solar Cycle and Its Effects on the Interstellar Boundary Explorer Ribbon and Globally Distributed Energetic Neutral Atom Flux

    NASA Astrophysics Data System (ADS)

    Zirnstein, E. J.; Heerikhuisen, J.; Pogorelov, N. V.; McComas, D. J.; Dayeh, M. A.

    2015-05-01

    Since 2009, observations by the Interstellar Boundary Explorer (IBEX) have vastly improved our understanding of the interaction between the solar wind (SW) and local interstellar medium through direct measurements of energetic neutral atoms (ENAs), which inform us about the heliospheric conditions that produced them. An enhanced feature of flux in the sky, the so-called IBEX ribbon, was not predicted by any global models before the first IBEX observations. A dominating theory of the origin of the ribbon, although still under debate, is a secondary charge-exchange process involving secondary ENAs originating from outside the heliopause. According to this mechanism, the evolution of the solar cycle should be visible in the ribbon flux. Therefore, in this paper we simulate a fully time-dependent ribbon flux, as well as globally distributed flux from the inner heliosheath (IHS), using time-dependent SW parameters from Sokół et al. as boundary conditions for our time-dependent heliosphere simulation. After post-processing the results to compute H ENA fluxes, our results show that the secondary ENA ribbon indeed should be time dependent, evolving with a period of approximately 11 yr, with differences depending on the energy and direction. Our results for the IHS flux show little periodic change with the 11 yr solar cycle, but rather with short-term fluctuations in the background plasma. While the secondary ENA mechanism appears to emulate several key characteristics of the observed IBEX ribbon, it appears that our simulation does not yet include all of the relevant physics that produces the observed ribbon.

  5. SIMULATIONS OF A DYNAMIC SOLAR CYCLE AND ITS EFFECTS ON THE INTERSTELLAR BOUNDARY EXPLORER RIBBON AND GLOBALLY DISTRIBUTED ENERGETIC NEUTRAL ATOM FLUX

    SciTech Connect

    Zirnstein, E. J.; Heerikhuisen, J.; Pogorelov, N. V.; McComas, D. J.; Dayeh, M. A.

    2015-05-01

    Since 2009, observations by the Interstellar Boundary Explorer (IBEX) have vastly improved our understanding of the interaction between the solar wind (SW) and local interstellar medium through direct measurements of energetic neutral atoms (ENAs), which inform us about the heliospheric conditions that produced them. An enhanced feature of flux in the sky, the so-called IBEX ribbon, was not predicted by any global models before the first IBEX observations. A dominating theory of the origin of the ribbon, although still under debate, is a secondary charge-exchange process involving secondary ENAs originating from outside the heliopause. According to this mechanism, the evolution of the solar cycle should be visible in the ribbon flux. Therefore, in this paper we simulate a fully time-dependent ribbon flux, as well as globally distributed flux from the inner heliosheath (IHS), using time-dependent SW parameters from Sokół et al. as boundary conditions for our time-dependent heliosphere simulation. After post-processing the results to compute H ENA fluxes, our results show that the secondary ENA ribbon indeed should be time dependent, evolving with a period of approximately 11 yr, with differences depending on the energy and direction. Our results for the IHS flux show little periodic change with the 11 yr solar cycle, but rather with short-term fluctuations in the background plasma. While the secondary ENA mechanism appears to emulate several key characteristics of the observed IBEX ribbon, it appears that our simulation does not yet include all of the relevant physics that produces the observed ribbon.

  6. Experimental investigations of electron capture from atomic hydrogen and deuterium by alpha particles

    SciTech Connect

    Gay, T.J.; Park, J.T.

    1992-01-01

    We report progress made during the period 15 September 1991--14 September 1992 on the project Experimental Investigations of Electron Capture from Atomic Hydrogen and Deuterium by Alpha Particles''. In the past year we have developed reliable, narrow energy spread, high-current sources of He[sup ++] based on direct-current magentron and electron-cyclotron resonance discharges. These sources have been proven on our test bench accelerator which has been upgraded to also allow us to test atomic hydrogen effusive targets. We have thus made substantial progress toward our goal of studying single electron capture from atomic hydrogen by doubly-ionized helium. A research plan for the upcoming year is also presented.

  7. Hydrogen atom wave function and eigen energy in the Rindler space

    NASA Astrophysics Data System (ADS)

    Dai, De-Chang

    2016-10-01

    We study the hydrogen atom eigenstate energy and wave function in the Rindler space. The probability distribution is tilted because the electric field of the nucleus is no longer spherically symmetric. The hydrogen atom therefore cannot be treated exactly in the same way as what it is in an inertial frame. We also find that if the external force accelerates only the nucleus and then the nucleus accelerates its surrounding electrons through electromagnetic force, the electrons can tunnel through the local energy gap and split the hydrogen atom into an ion. This is similar to what one expects from the Stark effect. However, the critical acceleration is about 3 ×1022 m /s2. It is well beyond the gravitational acceleration on a regular star surface.

  8. Lewis acid-water/alcohol complexes as hydrogen atom donors in radical reactions.

    PubMed

    Povie, Guillaume; Renaud, Philippe

    2013-01-01

    Water or low molecular weight alcohols are, due to their availability, low price and low toxicity ideal reagents for organic synthesis. Recently, it was reported that, despite the very strong BDE of the O-H bond, they can be used as hydrogen atom donors in place of expensive and/or toxic group 14 metal hydrides when boron and titanium(III) Lewis acids are present. This finding represents a considerable innovation and uncovers a new perspective on the paradigm of hydrogen atom transfers to radicals. We discuss here the influence of complex formation and other association processes on the efficacy of the hydrogen transfer step. A delicate balance between activation by complex formation and deactivation by further hydrogen bonding is operative.

  9. Performance evaluation of the SAO VLG-11 atomic hydrogen masers

    NASA Technical Reports Server (NTRS)

    Levine, M. W.; Vessot, R. F.; Mattison, E. M.

    1978-01-01

    A new generation of frequency standards, the VLG-11 hydrogen maser, has been designed and built at the Smithsonian Astrophysical Observatory (SAO). A comprehensive series of environmental and short-term stability tests on three VLG-11 masers has been completed and evaluated. The test results reported here show substantial improvements over previous hydrogen masers in measured sensitivity to variations in ambient temperature, barometric pressure, and magnetic fields. The maser frequency stability, as represented by the two-sample (Allan) variance, has been measured for averaging times ranging from 1 to 100,00 seconds. The variance is lower than 1 x 10 to the -15th for averaging intervals between 1400 and 20,000 seconds. For times shorter than 4000 seconds, the measured stability data agree remarkably well with theoretical values calculated from thermal noise mechanisms and the 'noise within the linewidth' regime is clearly discernable in the data.

  10. Atomic Hydrogen Measurements in a Fusion-Relevant Plasma

    NASA Astrophysics Data System (ADS)

    Samuell, Cameron; Corr, Cormac

    2012-10-01

    Critical to the success of large-scale fusion reactors is the development of new materials that can withstand the extreme conditions at the plasma-surface boundary. The materials required for plasma-facing components will need to withstand a very aggressive environment that is characterized by both a high heat load and high ion flux produced by the hydrogen isotope plasma. As such, investigating the ways in which hydrogen plasmas interact with a range of materials is an important area for research and development and is vital to the future success of fusion. A new experimental reactor, the MAGnetized Plasma Interaction Experiment (MAGPIE), has been constructed at the Australian National University to help resolve some of the critical issues surrounding the choice of fusion reactor materials. MAGPIE is a linear system with a 2.5kW, 13.56MHz helicon source that operates in a magnetic hill configuration with field strengths up to 0.19T. Densities up to 10^19m-3 at temperatures < 5eV have been achieved. The focus of this presentation is the interaction between a magnetized hydrogen plasma and tungsten and graphite targets in MAGPIE. Results from two-photon absorption laser induced fluorescence (TALIF), optical emission spectroscopy (OES) and probe diagnostics will be presented.

  11. Cooper-type minima in multipole cross sections of atomic hydrogen

    SciTech Connect

    Fazio, P.M.; Copeland, G.E.

    1984-07-09

    The quadrupole photoionization cross sections for hydrogen are shown to contain minima at kinetic energies of the free electron that are less than 2 eV. These minima are the result of zeros that occur in some of the quadrupole transition strengths between bound excited (Vertical Barn,l>) and continuum (Vertical BarW,l+2>) states for atomic hydrogen. These minima are compared with Cooper minima which occur in the photoionization cross sections for some multielectron systems.

  12. Charting the Interstellar Magnetic Field behind the Interstellar Boundary Explorer (IBEX) Ribbon

    NASA Astrophysics Data System (ADS)

    Frisch, P. C.; Berdyugin, A.; Piirola, V.; Wiktorowicz, S.; Magalhaes, A. M.; Seriacopi, D.; Andersson, B. G.; Funsten, H. O.; McComas, D. J.; Schwadron, N.; Slavin, J. D.; Hanson, A.; Fu, C. W.

    2015-12-01

    The relation between the interstellar magnetic field (ISMF) controlling the configuration of the "ribbon" of energetic neutral atoms discovered by IBEX, and the ISMF in deep space, can be probed with polarized starlight. Starlight is polarized in a dichroic interstellar medium formed by interstellar dust grains that are aligned with respect to the ISMF. Our ongoing survey of polarized starlight traces the ISMF within 40 parsecs. The local ISMF direction was evaluated using the weighted means of the linear polarization vectors. The dominant nearby magnetic field direction is within 7.6 (+14.9,-7.6) degrees of the ISMF direction that is traced by the IBEX ribbon. A low level of random magnetic turbulence is obtained from the polarization data that best trace the IBEX ribbon field direction, 9 (+/-1) deg, which explains the continuity of the IBEX ISMF out into space where it can be traced by starlight polarization. The ISMF direction is perpendicular to the velocity of the cloud around the heliosphere, and it orders the kinematics of the other local interstellar clouds. These results are obtained only after a well-defined subset of the polarization data is omitted from the sample. A separate analysis shows that these polarization vectors are oriented toward the upwind direction of the interstellar gas flowing into the heliosphere. This group of polarization data traces an elongated filamentary-type feature that is perpendicular to the hydrogen deflection plane. We suggest a heliosheath origin for the grains that create this polarized feature. One characteristic shown by the polarization and IBEX field directions is that the ribbon ISMF extends to the boundaries of the BICEP2 region where the polarized CMB background has been studied. Inside of the BICEP2 region other nearby magnetic components are also present. The sightline toward the star Capella suggests that the polarization mechanism is very efficient in this nearby cloud.

  13. Bounds on halo-particle interactions from interstellar calorimetry

    NASA Technical Reports Server (NTRS)

    Chivukula, Sekhar R.; Cohen, Andrew G.; Dimopoulos, Savas; Walker, Terry P.

    1990-01-01

    It is shown that the existence of neutral interstellar clouds constrains the interaction of any particulate dark-matter candidate with atomic hydrogen to be quite small. Even for a halo particle of mass 1 PeV (10 to the 6 GeV), it is shown that the cross section with hydrogen must be smaller than the typical atomic cross section that is expected for a positively charged particle bound to an electron. The argument presented is that if the clouds are in equilibrium, then the rate at which energy is deposited by collisions with dark-matter particles must be smaller than the rate at which the cloud can cool. This argument is used to constrain the interaction cross section of dark matter with hydrogen. Remarks are made on the general viability of charged dark matter. Comments are also made on a bound which derives from the dynamical stability of the halo.

  14. Resonant Coherent Excitation of Fast Hydrogen Atoms in Front of a LiF(001) Surface

    SciTech Connect

    Auth, C.; Mertens, A.; Winter, H.; Borisov, A.G.; Garcia de Abajo, F.J.

    1997-12-01

    We have scattered protons and hydrogen atoms with energies of some keV from a LiF(001) surface under a grazing angle of incidence. From the intensity of Lyman-{alpha} radiation (transition from n=2 to n=1, {lambda}=121.6 nm ) as a function of projectile energy for different azimuthal orientations of the crystal surface, we find clear evidence for a resonant coherent excitation of n=2 states of hydrogen atoms in the oscillating electric field in front of the insulator surface. {copyright} {ital 1997} {ital The American Physical Society}

  15. Deformylation Reaction by a Nonheme Manganese(III)-Peroxo Complex via Initial Hydrogen-Atom Abstraction.

    PubMed

    Barman, Prasenjit; Upadhyay, Pranav; Faponle, Abayomi S; Kumar, Jitendra; Nag, Sayanta Sekhar; Kumar, Devesh; Sastri, Chivukula V; de Visser, Sam P

    2016-09-01

    Metal-peroxo intermediates are key species in the catalytic cycles of nonheme metalloenzymes, but their chemical properties and reactivity patterns are still poorly understood. The synthesis and characterization of a manganese(III)-peroxo complex with a pentadentate bispidine ligand system and its reactivity with aldehydes was studied. Manganese(III)-peroxo can react through hydrogen-atom abstraction reactions instead of the commonly proposed nucleophilic addition reaction. Evidence of the mechanism comes from experiments which identify a primary kinetic isotope effect of 5.4 for the deformylation reaction. Computational modeling supports the established mechanism and identifies the origin of the reactivity preference of hydrogen-atom abstraction over nucleophilic addition.

  16. Deuterium removal from radiation damage in tungsten by isotopic exchange with hydrogen atomic beam

    NASA Astrophysics Data System (ADS)

    Ogorodnikova, O. V.; Markelj, S.; Efimov, V. S.; Gasparyan, Yu M.

    2016-09-01

    The tungsten samples were pre-irradiated with self-ions to create radiation-induced defects and then exposed to the deuterium atomic beam. The deuterium removal was studied by isotopic exchange with atomic hydrogen beam. Modification of the deuterium depth profile in self-ion irradiated tungsten under isotopic exchange up to a depth of 6 μm was measured in- situ by nuclear reaction analysis. The total deuterium retention after isotopic exchange was measured by thermal desorption spectroscopy. It is shown that the efficiency of the deuterium removal increases with increasing of the hydrogen incident flux, incident energy and temperature of the tungsten sample.

  17. Reduction of uranium hexafluoride to tetrafluoride by using the hydrogen atoms

    NASA Astrophysics Data System (ADS)

    Aleksandrov, B. P.; Gordon, E. B.; Ivanov, A. V.; Kotov, A. A.; Smirnov, V. E.

    2016-09-01

    We consider the reduction of UF6 to UF4 by chemical reaction with hydrogen atoms originated in the powerful chemical generator. The principal design of such a chemical convertor is described. The results of the mathematical modeling of the thermodynamics and kinetics of the UF6 to UF4 reduction process are analyzed. The few options for the hydrogen atom generator design are proposed. A layout of the experimental setup with the chemical reactor is presented. The high efficiency together with the ability of the process scaling without loss of its efficiency makes this approach to the uranium hexafluoride depletion into tetrafluoride promising for its application in the industry.

  18. Primary interstellar neutrals in the heliosphere

    NASA Astrophysics Data System (ADS)

    Mueller, Hans R.; Moebius, Eberhard; Bzowski, Maciej; Kubiak, Marzena; Pogorelov, Nikolai; Heerikhuisen, Jacob

    Among other accomplishments, IBEX has detected direct interstellar helium and oxygen. With the help of a 3D MHD/kinetic hydrogen background heliosphere model by Pogorelov and Heerikhuisen, the distributions of primary interstellar neutrals throughout the heliosphere are calculated, identifying contributions from direct and indirect particle trajectories. The results are converted into expected fluxes at IBEX. The comparison of these fluxes to the measurements characterizes the density of neutrals in the pristine interstellar medium, and their filtration in the heliosphere.

  19. THE ABUNDANCES OF HYDROCARBON FUNCTIONAL GROUPS IN THE INTERSTELLAR MEDIUM INFERRED FROM LABORATORY SPECTRA OF HYDROGENATED AND METHYLATED POLYCYCLIC AROMATIC HYDROCARBONS

    SciTech Connect

    Steglich, M.; Jäger, C.; Huisken, F.; Friedrich, M.; Plass, W.; Räder, H.-J.; Müllen, K.; Henning, Th.

    2013-10-01

    Infrared (IR) absorption spectra of individual polycyclic aromatic hydrocarbons (PAHs) containing methyl (-CH{sub 3}), methylene (CH{sub 2}), or diamond-like CH groups and IR spectra of mixtures of methylated and hydrogenated PAHs prepared by gas-phase condensation were measured at room temperature (as grains in pellets) and at low temperature (isolated in Ne matrices). In addition, the PAH blends were subjected to an in-depth molecular structure analysis by means of high-performance liquid chromatography, nuclear magnetic resonance spectroscopy, and matrix-assisted laser desorption/ionization time-of-flight mass spectrometry. Supported by calculations at the density functional theory level, the laboratory results were applied to analyze in detail the aliphatic absorption complex of the diffuse interstellar medium at 3.4 μm and to determine the abundances of hydrocarbon functional groups. Assuming that the PAHs are mainly locked in grains, aliphatic CH {sub x} groups (x = 1, 2, 3) would contribute approximately in equal quantities to the 3.4 μm feature (N {sub CHx}/N {sub H} ≈ 10{sup –5}-2 × 10{sup –5}). The abundances, however, may be two to four times lower if a major contribution to the 3.4 μm feature comes from molecules in the gas phase. Aromatic ≅CH groups seem to be almost absent from some lines of sight, but can be nearly as abundant as each of the aliphatic components in other directions (N{sub ≅CH}/N {sub H} ∼< 2 × 10{sup –5}; upper value for grains). Due to comparatively low binding energies, astronomical IR emission sources do not display such heavy excess hydrogenation. At best, especially in protoplanetary nebulae, CH{sub 2} groups bound to aromatic molecules, i.e., excess hydrogens on the molecular periphery only, can survive the presence of a nearby star.

  20. Atomic hydrogen beam source: a convenient, extended cavity, microwave discharge design.

    PubMed

    Murphy, E J; Brophy, J H

    1979-05-01

    An extended cavity design of a microwave discharge source for production of intense beams of atomic, radical, and metastable species in vacuo is described. The extended cavity enables the discharge to be run at the beam source nozzle while the power connection and tuning elements remain conveniently outside the apparatus. This design minimizes wall recombination losses to produce intense atomic hydrogen beams with considerably less engineering than previous discharge sources.

  1. Ground state properties of solid and liquid spin-aligned atomic hydrogen

    NASA Technical Reports Server (NTRS)

    Danilowicz, R. L.; Dugan, J. V., Jr.; Etters, R. D.

    1976-01-01

    Calculations of the ground state energy in the solid phase were performed with the aid of a variational approach. The Morse potential form of the atomic triple potential computed by Kolos and Wolniewicz (1965) was employed for the calculations. The ground state energies of both the liquid and solid phases of spin-aligned atomic hydrogen around the volume of the transition are presented in a graph.

  2. Interstellar Matters

    NASA Astrophysics Data System (ADS)

    Verschuur, Gerrit L.

    In this provocative new book, radio astronomer and author Gerrit L. Verschuur describes the phenomena of scientific curiosity and discovery by following the exciting story of interstellar matter. The discovery of "stuff between the stars" was the result of decades of work by hundreds of astronomers, and the evolving recognition of its existence has profoundly changed the way we view the Universe. Verschuur begins with E.E. Barnard, who puzzled for a quarter century over the interpretation of photographs of dark patches between the stars. Verschuur then traces the tortuous path to acceptance of the existence of interstellar matter. He shares with us the thrill of discovery that motivates astronomers, the use of metaphors and modeling by scientist, and other tricks of the astronomical trade. Finally, we learn about the modern study of interstellar matter: the discovery of complex organic molecules between the stars and how they may have seeded the early earth with the precursors for life, new insights into star formation, the structure of the Milky Way and the elusive interstellar magnetic field. More than a history, Interstellar Matters is a detective story that evokes the excitement and serendipity of science against the background of a century of shared effort by the world community of astronomers. From the reviews: "I can't imagine anyone interested in astronomy who won't enjoy this book - it's chocked full of science, personalities and insights. We are products of the stuff between the stars - Verschuur tells the fascinating story of how its existence was discovered. Interstellar Matters is his best book, I think. It's certainly one of the best astronomy popularizations I've read." Leif J. Robinson, Sky and Teleskope#1

  3. Role of hydrogen in the chemical vapor deposition growth of MoS2 atomic layers

    NASA Astrophysics Data System (ADS)

    Li, Xiao; Li, Xinming; Zang, Xiaobei; Zhu, Miao; He, Yijia; Wang, Kunlin; Xie, Dan; Zhu, Hongwei

    2015-04-01

    Hydrogen plays a crucial role in the chemical vapor deposition (CVD) growth of graphene. Here, we have revealed the roles of hydrogen in the two-step CVD growth of MoS2. Our study demonstrates that hydrogen acts as the following: (i) an inhibitor of the thermal-induced etching effect in the continuous film growth process; and (ii) a promoter of the desulfurization reaction by decreasing the S/Mo atomic ratio and the oxidation reaction of the obtained MoSx (0 < x < 2) films. A high hydrogen content of more than 100% in argon forms nano-sized circle-like defects and damages the continuity and uniformity of the film. Continuous MoS2 films with a high crystallinity and a nearly perfect S/Mo atomic ratio were finally obtained after sulfurization annealing with a hydrogen content in the range of 20%-80%. This insightful understanding reveals the crucial roles of hydrogen in the CVD growth of MoS2 and paves the way for the controllable synthesis of two-dimensional materials.Hydrogen plays a crucial role in the chemical vapor deposition (CVD) growth of graphene. Here, we have revealed the roles of hydrogen in the two-step CVD growth of MoS2. Our study demonstrates that hydrogen acts as the following: (i) an inhibitor of the thermal-induced etching effect in the continuous film growth process; and (ii) a promoter of the desulfurization reaction by decreasing the S/Mo atomic ratio and the oxidation reaction of the obtained MoSx (0 < x < 2) films. A high hydrogen content of more than 100% in argon forms nano-sized circle-like defects and damages the continuity and uniformity of the film. Continuous MoS2 films with a high crystallinity and a nearly perfect S/Mo atomic ratio were finally obtained after sulfurization annealing with a hydrogen content in the range of 20%-80%. This insightful understanding reveals the crucial roles of hydrogen in the CVD growth of MoS2 and paves the way for the controllable synthesis of two-dimensional materials. Electronic supplementary

  4. Coupled Electron-Ion Monte Carlo calculations of atomic hydrogen

    NASA Astrophysics Data System (ADS)

    Holzmann, Markus; Pierleoni, Carlo; Ceperley, David M.

    2005-07-01

    We present a new Monte Carlo method which couples Path Integral for finite temperature protons with Quantum Monte Carlo for ground state electrons, and we apply it to metallic hydrogen for pressures beyond molecular dissociation. This method fills the gap between high temperature electron-proton Path Integral and ground state Diffusion Monte Carlo methods. Our data exhibit more structure and higher melting temperatures of the proton crystal than Car-Parrinello Molecular Dynamics results using LDA. We further discuss the quantum motion of the protons and the zero temperature limit.

  5. Nucleon polarizabilities: From Compton scattering to hydrogen atom

    NASA Astrophysics Data System (ADS)

    Hagelstein, Franziska; Miskimen, Rory; Pascalutsa, Vladimir

    2016-05-01

    We review the current state of knowledge of the nucleon polarizabilities and of their role in nucleon Compton scattering and in hydrogen spectrum. We discuss the basic concepts, the recent lattice QCD calculations and advances in chiral effective-field theory. On the experimental side, we review the ongoing programs aimed to measure the nucleon (scalar and spin) polarizabilities via the Compton scattering processes, with real and virtual photons. A great part of the review is devoted to the general constraints based on unitarity, causality, discrete and continuous symmetries, which result in model-independent relations involving nucleon polarizabilities. We (re-)derive a variety of such relations and discuss their empirical value. The proton polarizability effects are presently the major sources of uncertainty in the assessment of the muonic hydrogen Lamb shift and hyperfine structure. Recent calculations of these effects are reviewed here in the context of the "proton-radius puzzle". We conclude with summary plots of the recent results and prospects for the near-future work.

  6. Linear quadratic stochastic control of atomic hydrogen masers.

    PubMed

    Koppang, P; Leland, R

    1999-01-01

    Data are given showing the results of using the linear quadratic Gaussian (LQG) technique to steer remote hydrogen masers to Coordinated Universal Time (UTC) as given by the United States Naval Observatory (USNO) via two-way satellite time transfer and the Global Positioning System (GPS). Data also are shown from the results of steering a hydrogen maser to the real-time USNO mean. A general overview of the theory behind the LQG technique also is given. The LQG control is a technique that uses Kalman filtering to estimate time and frequency errors used as input into a control calculation. A discrete frequency steer is calculated by minimizing a quadratic cost function that is dependent on both the time and frequency errors and the control effort. Different penalties, chosen by the designer, are assessed by the controller as the time and frequency errors and control effort vary from zero. With this feature, controllers can be designed to force the time and frequency differences between two standards to zero, either more or less aggressively depending on the application.

  7. Hydrogen transport diagnostics by atomic and molecular emission line profiles simultaneously measured for large helical device

    SciTech Connect

    Fujii, K.; Shikama, T.; Hasuo, M.; Goto, M.; Morita, S.

    2013-01-15

    We observe the Balmer-{alpha}, -{beta}, and -{gamma} lines of hydrogen atoms and Q branches of the Fulcher-{alpha} band of hydrogen molecules simultaneously with their polarization resolved for large helical device. From the fit including the line splits and the polarization dependences by the Zeeman effect, the emission locations, intensities, and the temperatures of the atoms and molecules are determined. The emission locations of the hydrogen atoms are determined outside but close to the last closed flux surface (LCFS). The results are consistent with a previous work (Phys. Plasmas 12, 042501 (2005)). On the other hand, the emission locations of the molecules are determined to be in the divertor legs, which is farer from those of the atoms. The kinetic energy of the atoms is 1 {approx} 20 eV, while the rotational temperature of molecules is {approx}0.04 eV. Additionally, substantial wings, which originate from high velocity atoms and are not reproduced by the conventional spectral analysis, are observed in the Balmer line profiles. We develop a one-dimensional model to simulate the transport of the atoms and molecules. The model reproduces the differences of the emission locations of the atoms and molecules when their initial temperatures are assumed to be 3 eV and 0.04 eV, respectively. From the model, the wings of the Balmer-{alpha} line is attributed to the high velocity atoms exist deep inside the LCFS, which are generated by the charge exchange collisions with hot protons there.

  8. Zirconium-nickel crystals—hydrogen accumulators: Dissolution and penetration of hydrogen atoms in alloys

    NASA Astrophysics Data System (ADS)

    Matysina, Z. A.; Zaginaichenko, S. Yu.; Shchur, D. V.; Gabdullin, M. T.; Kamenetskaya, E. A.

    2016-07-01

    The calculation of the free energy, thermodynamic equilibrium equations, and kinetic equations of the intermetallic compound Zr2NiH x has been carried out based on molecular-kinetic concepts. The equilibrium hydrogen concentration depending on the temperature, pressure, and energy parameters has been calculated. The absorption-desorption of hydrogen has been studied, and the possibility of the realization of the hysteresis effect has been revealed. The kinetics of the dissolution and permeability of hydrogen is considered, the time dependence of these values has been found, and conditions for the extremum character of their time dependence have been determined. Relaxation times of the dissolution and permeability of hydrogen into the alloy have been calculated. The calculation results are compared with the experimental data available in the literature.

  9. STEM Imaging of Single Pd Atoms in Activated Carbon Fibers Considered for Hydrogen Storage

    SciTech Connect

    Van Benthem, Klaus; Bonifacio, Cecile S; Contescu, Cristian I; Pennycook, Stephen J; Gallego, Nidia C

    2011-01-01

    Aberration corrected scanning transmission electron microscopy was used to demonstrate the feasibility of imaging individual Pd atoms that are highly dispersed throughout the volume of activated carbon fibers. Simultaneous acquisition of high-angle annular dark-field and bright-field images allows correlation of the location of single Pd atoms with microstructural features of the carbon host material. Sub-Angstrom imaging conditions revealed that 18 wt% of the total Pd content is dispersed as single Pd atoms in three re-occurring local structural arrangements. The identified structural configurations may represent effective storage sites for molecular hydrogen through Kubas complex formation as discussed in detail in the preceding article.

  10. Continuous spectra of atomic hydrogen in a strong magnetic field

    NASA Astrophysics Data System (ADS)

    Zhao, L. B.; Zatsarinny, O.; Bartschat, K.

    2016-09-01

    We describe a theoretical method, developed in the coupled-channel formalism, to study photoionization of H atoms in a strong magnetic field of a size that is typical for magnetic white dwarfs. The coupled Schrödinger equations are solved numerically using the renormalized Numerov method proposed by Johnson [B. R. Johnson, J. Chem. Phys. 67, 4086 (1977), 10.1063/1.435384; B. R. Johnson, J. Chem. Phys. 69, 4678 (1978), 10.1063/1.436421]. The distinct advantage of this method is the fact that no overflow problems are encountered in the classically forbidden region, and hence the method exhibits excellent numerical stability. Photoionization cross sections are presented for magnetized H atoms in the ground and 2 p excited states. The calculated results are compared with those obtained by other theories. The present method is particularly useful for explaining the complex features of continuous spectra in a strong magnetic field and hence provides an efficient tool for modeling photoionization spectra observed in the atmosphere of magnetic white dwarfs.

  11. Detecting Hydrogen Atoms in Solid Parahydrogen Using FTIR Spectroscopy

    NASA Astrophysics Data System (ADS)

    Anderson, David T.; Ruzi, Mahmut

    2012-06-01

    Our group is currently studying the 193.3 nm photochemistry of a number of precursor molecules isolated in solid parahydrogen (pH_2) using high-resolution FTIR spectroscopy. In photochemical studies of formic acid and ammonia, right after the photolysis laser is turned off, we observe metastable satellite peaks in close proximity to the strong rovibrational transition out of the ground state of the respective monomer photoproducts H_2O and NH_3. In both cases, there are two satellite peaks near the R(0) monomer transition. We have assigned these satellite features to H-H_2O and H-NH_3 radical clusters that form via reactions of the photoproduct with the pH_2 host. We will present IR spectroscopic studies of these two H-atom cluster systems that we hope to use in future photochemical studies to measure the concentration of H-atoms in our sample using FTIR spectroscopy. K. A. Kufeld, W. R. Wonderly, L. O. Paulson, S. C. Kettwich, and D. T. Anderson, J. Phys. Chem. Lett. 3, 342-347 (2012).

  12. Dry soldering with hot filament produced atomic hydrogen

    DOEpatents

    Panitz, J.K.G.; Jellison, J.L.; Staley, D.J.

    1995-04-25

    A system is disclosed for chemically transforming metal surface oxides to metal that is especially, but not exclusively, suitable for preparing metal surfaces for dry soldering and solder reflow processes. The system employs one or more hot, refractory metal filaments, grids or surfaces to thermally dissociate molecular species in a low pressure of working gas such as a hydrogen-containing gas to produce reactive species in a reactive plasma that can chemically reduce metal oxides and form volatile compounds that are removed in the working gas flow. Dry soldering and solder reflow processes are especially applicable to the manufacture of printed circuit boards, semiconductor chip lead attachment and packaging multichip modules. The system can be retrofitted onto existing metal treatment ovens, furnaces, welding systems and wave soldering system designs. 1 fig.

  13. Dry soldering with hot filament produced atomic hydrogen

    DOEpatents

    Panitz, Janda K. G.; Jellison, James L.; Staley, David J.

    1995-01-01

    A system for chemically transforming metal surface oxides to metal that is especially, but not exclusively, suitable for preparing metal surfaces for dry soldering and solder reflow processes. The system employs one or more hot, refractory metal filaments, grids or surfaces to thermally dissociate molecular species in a low pressure of working gas such as a hydrogen-containing gas to produce reactive species in a reactive plasma that can chemically reduce metal oxides and form volatile compounds that are removed in the working gas flow. Dry soldering and solder reflow processes are especially applicable to the manufacture of printed circuit boards, semiconductor chip lead attachment and packaging multichip modules. The system can be retrofitted onto existing metal treatment ovens, furnaces, welding systems and wave soldering system designs.

  14. The distribution of atomic hydrogen in the magnetosphere of Saturn

    NASA Technical Reports Server (NTRS)

    Shemansky, D. E.; Hall, D. T.

    1992-01-01

    Three sets of previously unpublished Voyager ultraviolet spectrometer observations of the Saturn system conducted by Voyager 1 and 2 are presented. Voyager 1 observations during the postencounter period provided a map of the distribution looking down on the equatorial plane. The reduced data show a nonuniform distribution in local time with a preponderance of emission on the duskside. The emission extends radially inward to the top of the Saturn atmosphere with stronger signals appearing close to the planet, strongly suggesting that the principal source is the sunlit Saturn atmosphere. In the subsolar sector of the magnetosphere no excess emission in the vicinity of Titan's orbit is detectable. Voyager 1 and 2 preencounter observations also show H Ly-alpha emissions increasing monotonically toward the planet but with a distinctive dawnside excess. It is concluded that the preliminary results reporting a toroidal hydrogen distribution with a cavity inside 8 RS are invalid because of limited spatial resolution and poor statistics.

  15. The distribution of atomic hydrogen in the Jovian atmosphere

    NASA Technical Reports Server (NTRS)

    Killen, R. M.; Chamberlain, J. W.

    1986-01-01

    An analysis is presented of the Voyager and IUE lyman alpha spectra of the Jovian equatorial emission in which was derived a zonal asymmetry in the hydrogen column abundance. Using two estimates of the fraction of Lyman alpha which is due to direct excitation by charged particle precipitation from the ionosphere, upper and lower limits were derived to the H column abundance within and without the perturbed region. That the asymmetry in H abundance may be due to localized heating near the homopause with a consequent rise in scale height is shown. The derived exospheric temperature remains fairly constant with longitude. The required additional heat input over the bulge region, 0.02 erg/cm/s, is supplied by an additional flux of magnetospheric electrons due to Jupiter's magnetic anomaly.

  16. Compression experiments with spin-polarized atomic hydrogen

    NASA Astrophysics Data System (ADS)

    Sprik, R.; Walraven, J. T. M.; Silvera, Isaac F.

    1985-11-01

    Doubly polarized hydrogen has been produced up to densities of 2×1018 cm-3 with the use of a compression technique. Samples were compressed up to five orders of magnitude into small bubblelike volumes under a column of liquid helium. This technique enabled us to study the volume decay of a bubble at almost constant gas density for minutes. The analysis of the volume decay of such a bubble is discussed. A bulk three-body recombination process was observed with rate constant C3=[7(2)]×10-39 cm6 s-1, as well as bulk electronic b-->c relaxation with rate constant Gvbc↓=[12(4)]×10-16 cm3 s-1. The nature of the three-body process is analyzed with a set of extended rate equations. The samples were very delicate and rapid compressions could result in explosions.

  17. Continuous vs. discrete models for the quantum harmonic oscillator and the hydrogen atom

    NASA Astrophysics Data System (ADS)

    Lorente, Miguel

    2001-07-01

    The Kravchuk and Meixner polynomials of discrete variable are introduced for the discrete models of the harmonic oscillator and hydrogen atom. Starting from Rodrigues formula we construct raising and lowering operators, commutation and anticommutation relations. The physical properties of discrete models are figured out through the equivalence with the continuous models obtained by limit process.

  18. Compensation of logarithmic corrections in calculating the fine structure of levels in hydrogen-like atoms

    SciTech Connect

    Boikova, N. A. Tyukhtyaev, Yu. N.; Faustov, R. N.

    2011-01-15

    Special features of the quasipotential approach to calculating logarithmic (in the fine-structure constant) contributions to the fine splitting of energy levels in hydrogen-like atoms are analyzed. The boundaries of the region of applicability of the Fell technique are indicated, and the order of corrections beyond this region is estimated.

  19. Moøller polarimetry with polarized atomic hydrogen at MESA

    SciTech Connect

    Bartolomé, P. Aguar; Aulenbacher, K.; Tyukin, V.

    2013-11-07

    A new generation of parity violation (PV) electron scattering experiments are planned to be carried out at the Institut für Kernphysik in Mainz. These experiments will be performed at low energies of 100-200 MeV using the new accelerator MESA (Mainz Energy recovering Superconducting Accelerator). One of the main challenges of such experiments is to achieve an accuracy in beam polarization measurements that must be below 0.5%. This very high accuracy can be reached using polarized atomic hydrogen gas, stored in an ultra-cold magnetic trap, as the target for electron beam polarimetry based on Mo/ller scattering. Electron spin-polarized atomic hydrogen can be stored at high densities of 10{sup 16} cm{sup −2}, over relatively long time periods, in a high magnetic field (8T) and at low temperatures (0.3K). The gradient force splits the ground state of the hydrogen into four states with different energies. Atoms in the low energy states are trapped in the strong magnetic field region whereas the high energy states are repelled and pumped away. The physics of ultra-cold atomic hydrogen in magnetic traps and the status of the Mainz Hydro-Mo/ller project will be presented.

  20. The Lamb shift in the hydrogen atom: Shift of s states

    SciTech Connect

    Karshenboim, S.G.

    1995-02-01

    A theoretical expression for the difference of the Lamb shifts of the 1s{sub 1/2} and 2s{sub 1/2} levels is obtained. The Lamb shift of the ground state in the hydrogen atom is recalculated and found to be 8172.898(26) MHz. 22 refs.

  1. Determination of the Relative Atomic Masses of Metals by Liberation of Molecular Hydrogen

    ERIC Educational Resources Information Center

    Waghorne, W. Earle; Rous, Andrew J.

    2009-01-01

    Students determine the relative atomic masses of calcium, magnesium, and aluminum by reaction with hydrochloric acid and measurement of the volume of hydrogen gas liberated. The experiment demonstrates stoichiometry and illustrates clearly that mass of the reagent is not the determinant of the amounts in chemical reactions. The experiment is…

  2. Learning about Regiochemistry from a Hydrogen-Atom Abstraction Reaction in Water

    ERIC Educational Resources Information Center

    Sears-Dundes, Christopher; Huon, Yoeup; Hotz, Richard P.; Pinhas, Allan R.

    2011-01-01

    An experiment has been developed in which the hydrogen-atom abstraction and the coupling of propionitrile, using Fenton's reagent, are investigated. Students learn about the regiochemistry of radical formation, the stereochemistry of product formation, and the interpretation of GC-MS data, in a safe reaction that can be easily completed in one…

  3. Effects of laser radiation field on energies of hydrogen atom in plasmas

    SciTech Connect

    Bahar, M. K.

    2015-09-15

    In this study, for the first time, the Schrödinger equation with more general exponential cosine screened Coulomb (MGECSC) potential is solved numerically in the presence of laser radiation field within the Ehlotzky approximation using the asymptotic iteration method. The MGECSC potential includes four different potential forms in consideration of different sets of the parameters in the potential. By applying laser field, the total interaction potential of hydrogen atom embedded in plasmas converts to double well-type potential. The plasma screening effects under the influence of laser field as well as confinement effects of laser field on hydrogen atom in Debye and quantum plasmas are investigated by solving the Schrödinger equation with the laser-dressed MGECSC potential. It is resulted that since applying a monochromatic laser field on hydrogen atom embedded in a Debye and quantum plasma causes to shift in the profile of the total interaction potential, the confinement effects of laser field on hydrogen atom in plasmas modeled by the MGECSC potential change localizations of energy states.

  4. Quantum dynamics of hydrogen atoms on graphene. I. System-bath modeling

    SciTech Connect

    Bonfanti, Matteo; Jackson, Bret; Hughes, Keith H.; Burghardt, Irene

    2015-09-28

    An accurate system-bath model to investigate the quantum dynamics of hydrogen atoms chemisorbed on graphene is presented. The system comprises a hydrogen atom and the carbon atom from graphene that forms the covalent bond, and it is described by a previously developed 4D potential energy surface based on density functional theory ab initio data. The bath describes the rest of the carbon lattice and is obtained from an empirical force field through inversion of a classical equilibrium correlation function describing the hydrogen motion. By construction, model building easily accommodates improvements coming from the use of higher level electronic structure theory for the system. Further, it is well suited to a determination of the system-environment coupling by means of ab initio molecular dynamics. This paper details the system-bath modeling and shows its application to the quantum dynamics of vibrational relaxation of a chemisorbed hydrogen atom, which is here investigated at T = 0 K with the help of the multi-configuration time-dependent Hartree method. Paper II deals with the sticking dynamics.

  5. Laboratory Measurements of Charge Transfer on Atomic Hydrogen at Thermal Energies

    NASA Technical Reports Server (NTRS)

    Havener, C. C.; Vane, C. R.; Krause, H. F.; Stancil, P. C.; Mroczkowski, T.; Savin, D. W.

    2002-01-01

    We describe our ongoing program to measure velocity dependent charge transfer (CT) cross sections for selected ions on atomic hydrogen using the ion-aloin merged-beams apparatus at Oak Ridge Natioiial Laboralory. Our focus is on those ions for which CT plays an important role in determining the ionization structure, line emis sion, and thermal structure of observed cosmic photoionized plasmas.

  6. Moøller polarimetry with polarized atomic hydrogen at MESA

    NASA Astrophysics Data System (ADS)

    Bartolomé, P. Aguar; Aulenbacher, K.; Tyukin, V.

    2013-11-01

    A new generation of parity violation (PV) electron scattering experiments are planned to be carried out at the Institut für Kernphysik in Mainz. These experiments will be performed at low energies of 100-200 MeV using the new accelerator MESA (Mainz Energy recovering Superconducting Accelerator). One of the main challenges of such experiments is to achieve an accuracy in beam polarization measurements that must be below 0.5%. This very high accuracy can be reached using polarized atomic hydrogen gas, stored in an ultra-cold magnetic trap, as the target for electron beam polarimetry based on Mo/ller scattering. Electron spin-polarized atomic hydrogen can be stored at high densities of 1016 cm-2, over relatively long time periods, in a high magnetic field (8T) and at low temperatures (0.3K). The gradient force splits the ground state of the hydrogen into four states with different energies. Atoms in the low energy states are trapped in the strong magnetic field region whereas the high energy states are repelled and pumped away. The physics of ultra-cold atomic hydrogen in magnetic traps and the status of the Mainz Hydro-Mo/ller project will be presented.

  7. Hydrogen atom formation from the photodissociation of water ice at 193 nm.

    PubMed

    Yabushita, Akihiro; Hashikawa, Yuichi; Ikeda, Atsushi; Kawasaki, Masahiro; Tachikawa, Hiroto

    2004-03-15

    The TOF spectra of photofragment hydrogen atoms from the 193 nm photodissociation of amorphous ice at 90-140 K have been measured. The spectra consist of both a fast and a slow components that are characterized by average translational energies of 2k(B)T(trans)=0.39+/-0.04 eV (2300+/-200 K) and 0.02 eV (120+/-20 K), respectively. The incident laser power dependency of the hydrogen atom production suggests one-photon process. The electronic excitation energy of a branched cluster, (H(2)O)(6+1), has been theoretically calculated, where (H(2)O)(6+1) is a (H(2)O)(6) cyclic cluster attached by a water molecule with the hydrogen bond. The photoabsorption of this branched cluster is expected to appear at around 200 nm. The source of the hydrogen atoms is attributed to the photodissociation of the ice surface that is attached by water molecules with the hydrogen bond. Atmospheric implications are estimated for the photodissociation of the ice particles (Noctilucent clouds) at 190-230 nm in the region between 80 and 85 km altitude.

  8. Quantum states of hydrogen atom on Pd(1 1 0) surface

    NASA Astrophysics Data System (ADS)

    Padama, Allan Abraham B.; Nakanishi, Hiroshi; Kasai, Hideaki

    2015-12-01

    The quantum states of adsorbed hydrogen atom on Pd(1 1 0) surface are investigated in this work. From the calculated potential energy surface (PES) of hydrogen atom on Pd(1 1 0), the wave functions and eigenenergies in the ground and few excited states of protium (H) and deuterium (D) are calculated. Localized wave functions of hydrogen atom exist on pseudo-threefold and long bridge sites of Pd(1 1 0). The short bridge site is a local minimum from the result of PES, however, quantum behavior of hydrogen revealed that its vibration would allow it to hop to other pseudo-threefold site (that crosses the short bridge site) than to stay on the short bridge site. Exchange of ordering of the wave functions between H and D is attributed to the difference in their masses. The calculated eigenenergies are found to be in fair agreement with experimental data based from the identified vibrations of hydrogen with component perpendicular to the surface. The activation barriers measured from the eigenenergies are in better agreement with experimental findings in comparison to the data gathered from PES.

  9. Self-interaction in Green's-function theory of the hydrogen atom

    SciTech Connect

    Nelson, W.; Bokes, P.; Rinke, Patrick; Godby, R. W.

    2007-03-15

    Atomic hydrogen provides a unique test case for computational electronic structure methods, since its electronic excitation energies are known analytically. With only one electron, hydrogen contains no electronic correlation and is therefore particularly susceptible to spurious self-interaction errors introduced by certain computational methods. In this paper we focus on many-body perturbation theory (MBPT) in Hedin's GW approximation. While the Hartree-Fock and the exact MBPT self-energy are free of self-interaction, the correlation part of the GW self-energy does not have this property. Here we use atomic hydrogen as a benchmark system for GW and show that the self-interaction part of the GW self-energy, while nonzero, is small. The effect of calculating the GW self-energy from exact wave functions and eigenvalues, as distinct from those from the local-density approximation, is also illuminating.

  10. The possibility of constructing the hydrogen scale of the absolute atomic masses of the elements

    NASA Astrophysics Data System (ADS)

    Kuz'min, I. I.

    2009-12-01

    The paper presents a scheme for the experimental-empirical construction of the existing chemical, physical, and carbon scales of the relative nonintegral atomic masses of the elements. The quantitative interrelation between the nonintegral relative atomic masses, their minimized fractional positive and negative natural deviations from integral numbers, and their integral parts are reproduced mathematically. Nonisotopic fractional deviations are shown to be a consequence of methodological side effects of the scheme for theoretical processing of the data of thorough physical and chemical measurements performed by Stas and Aston in constructing scales of relative atomic masses. In conformity with the Prout hypothesis, the absolute atomic mass unit and the corresponding Avogadro’s number value are suggested for the construction of the hydrogen scale of absolute atomic masses of nonisotopic elements, individual isotopes, and isotope-containing elements.

  11. Loss of hydrogen atoms in H{sub 2} plasma on the surfaces of materials used in EUV lithography

    SciTech Connect

    Zyryanov, S. M.; Kovalev, A. S.; Lopaev, D. V.; Malykhin, E. M.; Rakhimov, A. T.; Rakhimova, T. V.; Koshelev, K. N.; Krivtsun, V. M.

    2011-10-15

    Low-pressure hydrogen is an important component of the working medium in extreme ultraviolet (EUV) projection lithography. Under the action of EUV photons and fast secondary electrons on the gas medium, plasma and atomic hydrogen, actively interacting with the surface, are produced. This interaction is very important, because it largely determines the lifetime of the multilayered EUV optics. In this study, the loss of atomic hydrogen under the conditions of a low pressure (<10 Torr) RF plasma discharge on the surfaces of materials used in EUV lithography is investigated. The surface loss probabilities of H atoms on these materials are measured. It is shown that surface recombination of atomic hydrogen goes according to the Eley-Rideal mechanism via direct recombination of H atoms from the gas phase with chemically and physically adsorbed atoms. In this case, the surface recombination probability is mainly determined by the density of chemical adsorption sites. The density of adsorption sites and the desorption energy of H atoms are estimated. The desorption energy of physically adsorbed H atoms on pure metal surfaces (or surfaces exposed to plasma) is about 0.5 eV, and the density of sorption sites is close to the surface density of atoms. This results in a high loss probability of H atoms on metals ({approx}0.1). Therefore, to provide efficient transportation of hydrogen atoms, it is necessary to use materials with the lowest loss probability of H atoms, i.e., dielectrics.

  12. Insights into the Electronic Structure of Ozone and Sulfur Dioxide from Generalized Valence Bond Theory: Addition of Hydrogen Atoms.

    PubMed

    Lindquist, Beth A; Takeshita, Tyler Y; Dunning, Thom H

    2016-05-01

    Ozone (O3) and sulfur dioxide (SO2) are valence isoelectronic species, yet their properties and reactivities differ dramatically. In particular, O3 is highly reactive, whereas SO2 is chemically relatively stable. In this paper, we investigate serial addition of hydrogen atoms to both the terminal atoms of O3 and SO2 and to the central atom of these species. It is well-known that the terminal atoms of O3 are much more amenable to bond formation than those of SO2. We show that the differences in the electronic structure of the π systems in the parent triatomic species account for the differences in the addition of hydrogen atoms to the terminal atoms of O3 and SO2. Further, we find that the π system in SO2, which is a recoupled pair bond dyad, facilitates the addition of hydrogen atoms to the sulfur atom, resulting in stable HSO2 and H2SO2 species.

  13. Production of Excited Atomic Hydrogen and Deuterium from HD Photodissociation

    NASA Astrophysics Data System (ADS)

    Machacek, J. R.; Bozek, J. D.; Furst, J. E.; Gay, T. J.; Gould, H.; Kilcoyne, A. L. D.; McLaughlin, K. W.

    2008-05-01

    We have measured the production of Lyα, Hα, and Hβ fluorescence from atomic H and D for the photodissociation of HD by linearly-polarized photons with energies between 20 and 66 eV. In this energy range, excited photofragments result primarily from the production of doubly-excited molecular species which promptly autoionize or dissociate into two neutrals. Theoretical calculation are not yet available for HD, but comparison between the relative cross sections for H2, D2 and HD targets and the available theory for H2 and D2 [1] allow for an estimate of the relative strength of each dissociation channel in this energy range. [1] J. D. Bozek et al., J. Phys. B 39, 4871 (2006). Support provided by the NSF (Grant PHY-0653379), DOE (LBNL/ALS) and ANSTO (Access to Major Research Facilities Programme).

  14. Hydrogen atom initiated chemistry. [chemical evolution in planetary atmospheres

    NASA Technical Reports Server (NTRS)

    Hong, J. H.; Becker, R. S.

    1979-01-01

    H Atoms have been created by the photolysis of H2S. These then initiated reactions in mixtures involving acetylene-ammonia-water and ethylene-ammonia-water. In the case of the acetylene system, the products consisted of two amino acids, ethylene and a group of primarily cyclic thio-compounds, but no free sulfur. In the case of the ethylene systems, seven amino acids, including an aromatic one, ethane, free sulfur, and a group of solely linear thio-compounds were produced. Total quantum yields for the production of amino acids were about 3 x 10 to the -5th and about 2 x 10 to the -4th with ethylene and acetylene respectively as carbon substrates. Consideration is given of the mechanism for the formation of some of the products and implications regarding planetary atmosphere chemistry, particularly that of Jupiter, are explored.

  15. Graphene oxide/metal nanocrystal multilaminates as the atomic limit for safe and selective hydrogen storage

    DOE PAGES

    Cho, Eun Seon; Ruminski, Anne M.; Aloni, Shaul; Liu, Yi-Sheng; Guo, Jinghua; Urban, Jeffrey J.

    2016-02-23

    Interest in hydrogen fuel is growing for automotive applications; however, safe, dense, solid-state hydrogen storage remains a formidable scientific challenge. Metal hydrides offer ample storage capacity and do not require cryogens or exceedingly high pressures for operation. However, hydrides have largely been abandoned because of oxidative instability and sluggish kinetics. We report a new, environmentally stable hydrogen storage material constructed of Mg nanocrystals encapsulated by atomically thin and gas-selective reduced graphene oxide (rGO) sheets. This material, protected from oxygen and moisture by the rGO layers, exhibits exceptionally dense hydrogen storage (6.5 wt% and 0.105 kg H2 per litre in themore » total composite). As rGO is atomically thin, this approach minimizes inactive mass in the composite, while also providing a kinetic enhancement to hydrogen sorption performance. In conclusion, these multilaminates of rGO-Mg are able to deliver exceptionally dense hydrogen storage and provide a material platform for harnessing the attributes of sensitive nanomaterials in demanding environments.« less

  16. Graphene oxide/metal nanocrystal multilaminates as the atomic limit for safe and selective hydrogen storage

    PubMed Central

    Cho, Eun Seon; Ruminski, Anne M.; Aloni, Shaul; Liu, Yi-Sheng; Guo, Jinghua; Urban, Jeffrey J.

    2016-01-01

    Interest in hydrogen fuel is growing for automotive applications; however, safe, dense, solid-state hydrogen storage remains a formidable scientific challenge. Metal hydrides offer ample storage capacity and do not require cryogens or exceedingly high pressures for operation. However, hydrides have largely been abandoned because of oxidative instability and sluggish kinetics. We report a new, environmentally stable hydrogen storage material constructed of Mg nanocrystals encapsulated by atomically thin and gas-selective reduced graphene oxide (rGO) sheets. This material, protected from oxygen and moisture by the rGO layers, exhibits exceptionally dense hydrogen storage (6.5 wt% and 0.105 kg H2 per litre in the total composite). As rGO is atomically thin, this approach minimizes inactive mass in the composite, while also providing a kinetic enhancement to hydrogen sorption performance. These multilaminates of rGO-Mg are able to deliver exceptionally dense hydrogen storage and provide a material platform for harnessing the attributes of sensitive nanomaterials in demanding environments. PMID:26902901

  17. Electrochemical removal of hydrogen atoms in Mg-doped GaN epitaxial layers

    SciTech Connect

    Lee, June Key E-mail: hskim7@jbnu.ac.kr; Hyeon, Gil Yong; Tawfik, Wael Z.; Choi, Hee Seok; Ryu, Sang-Wan; Jeong, Tak; Jung, Eunjin; Kim, Hyunsoo E-mail: hskim7@jbnu.ac.kr

    2015-05-14

    Hydrogen atoms inside of an Mg-doped GaN epitaxial layer were effectively removed by the electrochemical potentiostatic activation (EPA) method. The role of hydrogen was investigated in terms of the device performance of light-emitting diodes (LEDs). The effect of the main process parameters for EPA such as solution type, voltage, and time was studied and optimized for application to LED fabrication. In optimized conditions, the light output of 385-nm LEDs was improved by about 26% at 30 mA, which was caused by the reduction of the hydrogen concentration by ∼35%. Further removal of hydrogen seems to be involved in the breaking of Ga-H bonds that passivate the nitrogen vacancies. An EPA process with high voltage breaks not only Mg-H bonds that generate hole carriers but also Ga-H bonds that generate electron carriers, thus causing compensation that impedes the practical increase of hole concentration, regardless of the drastic removal of hydrogen atoms. A decrease in hydrogen concentration affects the current-voltage characteristics, reducing the reverse current by about one order and altering the forward current behavior in the low voltage region.

  18. Graphene oxide/metal nanocrystal multilaminates as the atomic limit for safe and selective hydrogen storage.

    PubMed

    Cho, Eun Seon; Ruminski, Anne M; Aloni, Shaul; Liu, Yi-Sheng; Guo, Jinghua; Urban, Jeffrey J

    2016-02-23

    Interest in hydrogen fuel is growing for automotive applications; however, safe, dense, solid-state hydrogen storage remains a formidable scientific challenge. Metal hydrides offer ample storage capacity and do not require cryogens or exceedingly high pressures for operation. However, hydrides have largely been abandoned because of oxidative instability and sluggish kinetics. We report a new, environmentally stable hydrogen storage material constructed of Mg nanocrystals encapsulated by atomically thin and gas-selective reduced graphene oxide (rGO) sheets. This material, protected from oxygen and moisture by the rGO layers, exhibits exceptionally dense hydrogen storage (6.5 wt% and 0.105 kg H2 per litre in the total composite). As rGO is atomically thin, this approach minimizes inactive mass in the composite, while also providing a kinetic enhancement to hydrogen sorption performance. These multilaminates of rGO-Mg are able to deliver exceptionally dense hydrogen storage and provide a material platform for harnessing the attributes of sensitive nanomaterials in demanding environments.

  19. Femtosecond real-time probing of reactions. IX. Hydrogen-atom transfer

    NASA Astrophysics Data System (ADS)

    Herek, J. L.; Pedersen, S.; Bañares, L.; Zewail, A. H.

    1992-12-01

    The real-time dynamics of hydrogen-atom-transfer processes under collisionless conditions are studied using femtosecond depletion techniques. The experiments focus on the methyl salicylate system, which exhibits ultrafast hydrogen motion between two oxygen atoms due to molecular tautomerization, loosely referred to as intramolecular ``proton'' transfer. To test for tunneling and mass effects on the excited potential surface, we also studied deuterium and methyl-group substitutions. We observe that the motion of the hydrogen, under collisionless conditions, takes place within 60 fs. At longer times, on the picosecond time scale, the hydrogen-transferred form decays with a threshold of 15.5 kJ/mol; this decay behavior was observed up to a total vibrational energy of ˜7200 cm-1. The observed dynamics provide the global nature of the motion, which takes into account bonding before and after the motion, and the evolution of the wave packet from the initial nonequilibrium state to the transferred form along the O-H—O reaction coordinate. The vibrational periods (2π/ω) of the relevant modes range from 13 fs (the OH stretch) to 190 fs (the low-frequency distortion) and the motion involves (in part) these coordinates. The intramolecular vibrational-energy redistribution dynamics at longer times are important to the hydrogen-bond dissociation and to the nonradiative decay of the hydrogen-transferred form.

  20. Graphene oxide/metal nanocrystal multilaminates as the atomic limit for safe and selective hydrogen storage

    NASA Astrophysics Data System (ADS)

    Cho, Eun Seon; Ruminski, Anne M.; Aloni, Shaul; Liu, Yi-Sheng; Guo, Jinghua; Urban, Jeffrey J.

    2016-02-01

    Interest in hydrogen fuel is growing for automotive applications; however, safe, dense, solid-state hydrogen storage remains a formidable scientific challenge. Metal hydrides offer ample storage capacity and do not require cryogens or exceedingly high pressures for operation. However, hydrides have largely been abandoned because of oxidative instability and sluggish kinetics. We report a new, environmentally stable hydrogen storage material constructed of Mg nanocrystals encapsulated by atomically thin and gas-selective reduced graphene oxide (rGO) sheets. This material, protected from oxygen and moisture by the rGO layers, exhibits exceptionally dense hydrogen storage (6.5 wt% and 0.105 kg H2 per litre in the total composite). As rGO is atomically thin, this approach minimizes inactive mass in the composite, while also providing a kinetic enhancement to hydrogen sorption performance. These multilaminates of rGO-Mg are able to deliver exceptionally dense hydrogen storage and provide a material platform for harnessing the attributes of sensitive nanomaterials in demanding environments.

  1. Theoretical Modeling of Interstellar Chemistry

    NASA Technical Reports Server (NTRS)

    Charnley, Steven

    2009-01-01

    The chemistry of complex interstellar organic molecules will be described. Gas phase processes that may build large carbon-chain species in cold molecular clouds will be summarized. Catalytic reactions on grain surfaces can lead to a large variety of organic species, and models of molecule formation by atom additions to multiply-bonded molecules will be presented. The subsequent desorption of these mixed molecular ices can initiate a distinctive organic chemistry in hot molecular cores. The general ion-molecule pathways leading to even larger organics will be outlined. The predictions of this theory will be compared with observations to show how possible organic formation pathways in the interstellar medium may be constrained. In particular, the success of the theory in explaining trends in the known interstellar organics, in predicting recently-detected interstellar molecules, and, just as importantly, non-detections, will be discussed.

  2. Stabilizing a Platinum1 Single-Atom Catalyst on Supported Phosphomolybdic Acid without Compromising Hydrogenation Activity.

    PubMed

    Zhang, Bin; Asakura, Hiroyuki; Zhang, Jia; Zhang, Jiaguang; De, Sudipta; Yan, Ning

    2016-07-11

    In coordination chemistry, catalytically active metal complexes in a zero- or low-valent state often adopt four-coordinate square-planar or tetrahedral geometry. By applying this principle, we have developed a stable Pt1 single-atom catalyst with a high Pt loading (close to 1 wt %) on phosphomolybdic acid(PMA)-modified active carbon. This was achieved by anchoring Pt on the four-fold hollow sites on PMA. Each Pt atom is stabilized by four oxygen atoms in a distorted square-planar geometry, with Pt slightly protruding from the oxygen planar surface. Pt is positively charged, absorbs hydrogen easily, and exhibits excellent performance in the hydrogenation of nitrobenzene and cyclohexanone. It is likely that the system described here can be extended to a number of stable SACs with superior catalytic activities.

  3. Local atomic structure modulations activate metal oxide as electrocatalyst for hydrogen evolution in acidic water.

    PubMed

    Li, Yu Hang; Liu, Peng Fei; Pan, Lin Feng; Wang, Hai Feng; Yang, Zhen Zhong; Zheng, Li Rong; Hu, P; Zhao, Hui Jun; Gu, Lin; Yang, Hua Gui

    2015-08-19

    Modifications of local structure at atomic level could precisely and effectively tune the capacity of materials, enabling enhancement in the catalytic activity. Here we modulate the local atomic structure of a classical but inert transition metal oxide, tungsten trioxide, to be an efficient electrocatalyst for hydrogen evolution in acidic water, which has shown promise as an alternative to platinum. Structural analyses and theoretical calculations together indicate that the origin of the enhanced activity could be attributed to the tailored electronic structure by means of the local atomic structure modulations. We anticipate that suitable structure modulations might be applied on other transition metal oxides to meet the optimal thermodynamic and kinetic requirements, which may pave the way to unlock the potential of other promising candidates as cost-effective electrocatalysts for hydrogen evolution in industry.

  4. Local atomic structure modulations activate metal oxide as electrocatalyst for hydrogen evolution in acidic water

    PubMed Central

    Li, Yu Hang; Liu, Peng Fei; Pan, Lin Feng; Wang, Hai Feng; Yang, Zhen Zhong; Zheng, Li Rong; Hu, P.; Zhao, Hui Jun; Gu, Lin; Yang, Hua Gui

    2015-01-01

    Modifications of local structure at atomic level could precisely and effectively tune the capacity of materials, enabling enhancement in the catalytic activity. Here we modulate the local atomic structure of a classical but inert transition metal oxide, tungsten trioxide, to be an efficient electrocatalyst for hydrogen evolution in acidic water, which has shown promise as an alternative to platinum. Structural analyses and theoretical calculations together indicate that the origin of the enhanced activity could be attributed to the tailored electronic structure by means of the local atomic structure modulations. We anticipate that suitable structure modulations might be applied on other transition metal oxides to meet the optimal thermodynamic and kinetic requirements, which may pave the way to unlock the potential of other promising candidates as cost-effective electrocatalysts for hydrogen evolution in industry. PMID:26286479

  5. Benchmarking all-atom simulations using hydrogen exchange

    PubMed Central

    Skinner, John J.; Yu, Wookyung; Gichana, Elizabeth K.; Baxa, Michael C.; Hinshaw, James R.; Freed, Karl F.; Sosnick, Tobin R.

    2014-01-01

    Long-time molecular dynamics (MD) simulations are now able to fold small proteins reversibly to their native structures [Lindorff-Larsen K, Piana S, Dror RO, Shaw DE (2011) Science 334(6055):517–520]. These results indicate that modern force fields can reproduce the energy surface near the native structure. To test how well the force fields recapitulate the other regions of the energy surface, MD trajectories for a variant of protein G are compared with data from site-resolved hydrogen exchange (HX) and other biophysical measurements. Because HX monitors the breaking of individual H-bonds, this experimental technique identifies the stability and H-bond content of excited states, thus enabling quantitative comparison with the simulations. Contrary to experimental findings of a cooperative, all-or-none unfolding process, the simulated denatured state ensemble, on average, is highly collapsed with some transient or persistent native 2° structure. The MD trajectories of this protein G variant and other small proteins exhibit excessive intramolecular H-bonding even for the most expanded conformations, suggesting that the force fields require improvements in describing H-bonding and backbone hydration. Moreover, these comparisons provide a general protocol for validating the ability of simulations to accurately capture rare structural fluctuations. PMID:25349413

  6. The existence and nature of the interstellar bow shock

    SciTech Connect

    Ben-Jaffel, Lotfi; Strumik, M.; Ratkiewicz, R.; Grygorczuk, J.

    2013-12-20

    We report a new diagnosis of two different states of the local interstellar medium (LISM) near our solar system by using a sensitivity study constrained by several distinct and complementary observations of the LISM, solar wind, and inner heliosphere. Assuming the Interstellar Boundary Explorer (IBEX) He flow parameters for the LISM, we obtain a strength of ∼2.7 ± 0.2 μG and a direction pointing away from galactic coordinates (28, 52) ± 3° for the interstellar magnetic field as a result of fitting Voyager 1 and Voyager 2 in situ plasma measurements and IBEX energetic neutral atoms ribbon. When using Ulysses parameters for the LISM He flow, we recently reported the same direction but with a strength of 2.2 ± 0.1 μG. First, we notice that with Ulysses He flow, our solution is in the expected hydrogen deflection plane (HDP). In contrast, for the IBEX He flow, the solution is ∼20° away from the corresponding HDP plane. Second, the long-term monitoring of the interplanetary H I flow speed shows a value of ∼26 km s{sup –1} measured upwind from the Doppler shift in the strong Lyα sky background emission line. All elements of the diagnosis seem therefore to support Ulysses He flow parameters for the interstellar state. In that frame, we argue that reliable discrimination between superfast, subfast, or superslow states of the interstellar flow should be based on most existing in situ and remote observations used together with global modeling of the heliosphere. For commonly accepted LISM ionization rates, we show that a fast interstellar bow shock should be standing off upstream of the heliopause.

  7. The Existence and Nature of the Interstellar Bow Shock

    NASA Astrophysics Data System (ADS)

    Ben-Jaffel, Lotfi; Strumik, M.; Ratkiewicz, R.; Grygorczuk, J.

    2013-12-01

    We report a new diagnosis of two different states of the local interstellar medium (LISM) near our solar system by using a sensitivity study constrained by several distinct and complementary observations of the LISM, solar wind, and inner heliosphere. Assuming the Interstellar Boundary Explorer (IBEX) He flow parameters for the LISM, we obtain a strength of ~2.7 ± 0.2 μG and a direction pointing away from galactic coordinates (28, 52) ± 3° for the interstellar magnetic field as a result of fitting Voyager 1 and Voyager 2 in situ plasma measurements and IBEX energetic neutral atoms ribbon. When using Ulysses parameters for the LISM He flow, we recently reported the same direction but with a strength of 2.2 ± 0.1 μG. First, we notice that with Ulysses He flow, our solution is in the expected hydrogen deflection plane (HDP). In contrast, for the IBEX He flow, the solution is ~20° away from the corresponding HDP plane. Second, the long-term monitoring of the interplanetary H I flow speed shows a value of ~26 km s-1 measured upwind from the Doppler shift in the strong Lyα sky background emission line. All elements of the diagnosis seem therefore to support Ulysses He flow parameters for the interstellar state. In that frame, we argue that reliable discrimination between superfast, subfast, or superslow states of the interstellar flow should be based on most existing in situ and remote observations used together with global modeling of the heliosphere. For commonly accepted LISM ionization rates, we show that a fast interstellar bow shock should be standing off upstream of the heliopause.

  8. Semiclassical study of the quenching of excited-state fluorine atom by hydrogen molecule - Comparison between reactive and nonreactive processes

    NASA Technical Reports Server (NTRS)

    Yuan, J.-M.; Skuse, B. M.; Jaffe, R. L.; Komornicki, A.; Morokuma, K.; George, T. F.

    1980-01-01

    Semiclassical calculations are carried out for the quenching of excited-state fluorine atom by collinear collisions with hydrogen molecule. The overall quenching probability is the sum of two contributions: the reactive quenching probability associated with the formation of hydrogen fluoride and the nonreactive quenching probability leading to ground-state fluorine atom and hydrogen molecule. The reactive probability is greater in the threshold region of the collision energy, whereas the nonreactive probability dominates for energies above the threshold region.

  9. Organic chemistry and biology of the interstellar medium

    NASA Technical Reports Server (NTRS)

    Sagan, C.

    1973-01-01

    Interstellar organic chemistry is discussed as the field of study emerging from the discovery of microwave lines of formaldehyde and of hydrogen cyanide in the interstellar medium. The reliability of molecular identifications and comparisons of interstellar and cometary compounds are considered, along with the degradational origin of simple organics. It is pointed out that the contribution of interstellar organic chemistry to problems in biology is not substantive but analogical. The interstellar medium reveals the operation of chemical processes which, on earth and perhaps on vast numbers of planets throughout the universe, led to the origin of life, but the actual molecules of the interstellar medium are unlikely to play any significant biological role.

  10. Solid Hydrogen Experiments for Atomic Propellants: Particle Formation Energy and Imaging Analyses

    NASA Technical Reports Server (NTRS)

    Palaszewski, Bryan

    2002-01-01

    This paper presents particle formation energy balances and detailed analyses of the images from experiments that were conducted on the formation of solid hydrogen particles in liquid helium during the Phase II testing in 2001. Solid particles of hydrogen were frozen in liquid helium and observed with a video camera. The solid hydrogen particle sizes and the total mass of hydrogen particles were estimated. The particle formation efficiency is also estimated. Particle sizes from the Phase I testing in 1999 and the Phase II testing in 2001 were similar. Though the 2001 testing created similar particles sizes, many new particle formation phenomena were observed. These experiment image analyses are one of the first steps toward visually characterizing these particles and it allows designers to understand what issues must be addressed in atomic propellant feed system designs for future aerospace vehicles.

  11. Solid Hydrogen Experiments for Atomic Propellants: Particle Formation, Imaging, Observations, and Analyses

    NASA Technical Reports Server (NTRS)

    Palaszewski, Bryan

    2005-01-01

    This report presents particle formation observations and detailed analyses of the images from experiments that were conducted on the formation of solid hydrogen particles in liquid helium. Hydrogen was frozen into particles in liquid helium, and observed with a video camera. The solid hydrogen particle sizes and the total mass of hydrogen particles were estimated. These newly analyzed data are from the test series held on February 28, 2001. Particle sizes from previous testing in 1999 and the testing in 2001 were similar. Though the 2001 testing created similar particles sizes, many new particle formation phenomena were observed: microparticles and delayed particle formation. These experiment image analyses are some of the first steps toward visually characterizing these particles, and they allow designers to understand what issues must be addressed in atomic propellant feed system designs for future aerospace vehicles.

  12. Interstellar organic matter in meteorites

    NASA Technical Reports Server (NTRS)

    Yang, J.; Epstein, S.

    1983-01-01

    Deuterium-enriched hydrogen is present in organic matter in such meteorites as noncarbonaceous chondrites. The majority of the unequilibrated primitive meteorites contain hydrogen whose D/H ratios are greater than 0.0003, requiring enrichment (relative to cosmic hydrogen) by isotope exchange reactions taking place below 150 K. The D/H values presented are the lower limits for the organic compounds derived from interstellar molecules, since all processes subsequent to their formation, including terrestrial contamination, decrease their D/H ratios. In contrast, the D/H ratios of hydrogen associated with hydrated silicates are relatively uniform for the meteorites analyzed. The C-13/C-12 ratios of organic matter, irrespective of D/H ratio, lie well within those observed for the earth. Present findings suggest that other interstellar material, in addition to organic matter, is preserved and is present in high D/H ratio meteorites.

  13. Electrical and Surface Properties of InAs/InSb Nanowires Cleaned by Atomic Hydrogen.

    PubMed

    Webb, James L; Knutsson, Johan; Hjort, Martin; Gorji Ghalamestani, Sepideh; Dick, Kimberly A; Timm, Rainer; Mikkelsen, Anders

    2015-08-12

    We present a study of InAs/InSb heterostructured nanowires by X-ray photoemission spectroscopy (XPS), scanning tunneling microscopy (STM), and in-vacuum electrical measurements. Starting with pristine nanowires covered only by the native oxide formed through exposure to ambient air, we investigate the effect of atomic hydrogen cleaning on the surface chemistry and electrical performance. We find that clean and unreconstructed nanowire surfaces can be obtained simultaneously for both InSb and InAs by heating to 380 ± 20 °C under an H2 pressure 2 × 10(-6) mbar. Through electrical measurement of individual nanowires, we observe an increase in conductivity of 2 orders of magnitude by atomic hydrogen cleaning, which we relate through theoretical simulation to the contact-nanowire junction and nanowire surface Fermi level pinning. Our study demonstrates the significant potential of atomic hydrogen cleaning regarding device fabrication when high quality contacts or complete control of the surface structure is required. As hydrogen cleaning has recently been shown to work for many different types of III-V nanowires, our findings should be applicable far beyond the present materials system.

  14. Single Pd atoms in activated carbon fibers and their contribution to hydrogen storage

    SciTech Connect

    Contescu, Cristian I; van Benthem, Klaus; Li, Sa; Bonifacio, Cecile S; Pennycook, Stephen J; Jena, Puru; Gallego, Nidia C

    2011-01-01

    Palladium-modified activated carbon fibers (Pd-ACF) were synthesized by meltspinning, carbonization and activation of an isotropic pitch carbon precursor premixed with an organometallic Pd compound. The hydrogen uptake at 25 oC and 20 bar on Pd- ACF exceeded the expected capacity based solely on Pd hydride formation and hydrogen physisorption on the microporous carbon support. Aberration-corrected scanning transmission electron microscopy (STEM) with sub- ngstrom spatial resolution provided unambiguous identification of isolated Pd atoms occurring in the carbon matrix that coexist with larger Pd particles. First principles calculations revealed that each single Pd atom can form Kubas-type complexes by binding up to three H2 molecules in the pressure range of adsorption measurements. Based on Pd atom concentration determined from STEM images, the contribution of various mechanisms to the excess hydrogen uptake measured experimentally was evaluated. With consideration of Kubas binding as a viable mechanism (along with hydride formation and physisorption to carbon support) the role of hydrogen spillover in this system may be smaller than previously thought.

  15. Interstellar grains

    NASA Technical Reports Server (NTRS)

    Snow, T. P.

    1986-01-01

    There are few aspects of interstellar grains that can be unambiguously defined. Very little can be said that is independent of models or presuppositions; hence issues are raised and questions categorized, rather than providing definitive answers. The questions are issues fall into three general areas; the general physical and chemical nature of the grains; the processes by which they are formed and destroyed; and future observational approaches.

  16. Atomic hydrogen adsorption and incipient hydrogenation of the Mg(0001) surface: a density-functional theory study.

    PubMed

    Li, Yanfang; Zhang, Ping; Sun, Bo; Yang, Yu; Wei, Yinghui

    2009-07-21

    We investigate the atomic hydrogen adsorption on Mg(0001) by using density-functional theory within the generalized gradient approximation and a supercell approach. The coverage dependence of the adsorption structures and energetics is systematically studied for a wide range of coverage Theta [from 0.11 to 2.0 monolayers (ML)] and adsorption sites. In the coverage range 0 < Theta < 1.0, the most stable among all possible adsorption sites is the on-surface fcc site followed by the hcp site, and the binding energy increases with the coverage, thus indicating the higher stability of on-surface adsorption and a tendency to the formation of H islands (clusters) when increasing the coverage within the region 0 < Theta < 1.0. The on-surface diffusion path energetics of atomic hydrogen as well as the activation barriers for hydrogen penetration from the on-surface to the subsurface sites are also presented at low coverage. At high coverage of 1.0 < Theta < or = 2.0, it is found that the coadsorption configuration with 1.0 monolayer of H residing on the surface fcc sites and the remaining (Theta-1.0) monolayer of H occupying the subsurface tetra-I sites is most energetically favorable. The resultant H-Mg-H sandwich structure for this most stable coadsorption configuration displays similar spectral features to the bulk hydride MgH(2) in the density of states. The other properties of the H/Mg(0001) system including the charge distribution, the lattice relaxation, the work function, and the electronic density of states are also studied and discussed in detail. It is pointed out that the H-Mg chemical bonding during surface hydrogenation displays a mixed ionic/covalent character.

  17. Interstellar Aldehydes and their corresponding Reduced Alcohols: Interstellar Propanol?

    NASA Astrophysics Data System (ADS)

    Etim, Emmanuel; Chakrabarti, Sandip Kumar; Das, Ankan; Gorai, Prasanta; Arunan, Elangannan

    2016-07-01

    There is a well-defined trend of aldehydes and their corresponding reduced alcohols among the known interstellar molecules; methanal (CH_2O) and methanol (CH_3OH); ethenone (C_2H_2O) and vinyl alcohol (CH_2CHOH); ethanal (C_2H_4O) and ethanol(C_2H_5OH); glycolaldehyde (C_2H_4O_2) and ethylene glycol(C_2H_6O_2). The reduced alcohol of propanal (CH_3CH_2CHO) which is propanol (CH_3CH_2CH_2OH) has not yet been observed but its isomer; ethyl methyl ether (CH_3CH_2OCH_3) is a known interstellar molecule. In this article, different studies are carried out in investigating the trend between aldehydes and their corresponding reduced alcohols and the deviation from the trend. Kinetically and with respect to the formation route, alcohols could have been produced from their corresponding reduced aldehydes via two successive hydrogen additions. This is plausible because of (a) the unquestionable high abundance of hydrogen, (b) presence of energy sources within some of the molecular clouds and (c) the ease at which successive hydrogen addition reaction occurs. In terms of stability, the observed alcohols are thermodynamically favorable as compared to their isomers. Regarding the formation process, the hydrogen addition reactions are believed to proceed on the surface of the interstellar grains which leads to the effect of interstellar hydrogen bonding. From the studies, propanol and propan-2-ol are found to be more strongly attached to the surface of the interstellar dust grains which affects its overall gas phase abundance as compared to its isomer ethyl methyl ether which has been observed.

  18. Analytical transition-matrix treatment of electric multipole polarizabilities of hydrogen-like atoms

    SciTech Connect

    Kharchenko, V.F.

    2015-04-15

    The direct transition-matrix approach to the description of the electric polarization of the quantum bound system of particles is used to determine the electric multipole polarizabilities of the hydrogen-like atoms. It is shown that in the case of the bound system formed by the Coulomb interaction the corresponding inhomogeneous integral equation determining an off-shell scattering function, which consistently describes virtual multiple scattering, can be solved exactly analytically for all electric multipole polarizabilities. Our method allows to reproduce the known Dalgarno–Lewis formula for electric multipole polarizabilities of the hydrogen atom in the ground state and can also be applied to determine the polarizability of the atom in excited bound states. - Highlights: • A new description for electric polarization of hydrogen-like atoms. • Expression for multipole polarizabilities in terms of off-shell scattering functions. • Derivation of integral equation determining the off-shell scattering function. • Rigorous analytic solving the integral equations both for ground and excited states. • Study of contributions of virtual multiple scattering to electric polarizabilities.

  19. Selective adsorption of atomic hydrogen on a h-BN thin film

    SciTech Connect

    Koswattage, Kaveenga Rasika; Shimoyama, Iwao; Baba, Yuji; Sekiguchi, Tetsuhiro; Nakagawa, Kazumichi

    2011-07-07

    The adsorption of atomic hydrogen on hexagonal boron nitride (h-BN) is studied using two element-specific spectroscopies, i.e., near-edge x-ray absorption fine structure (NEXAFS) spectroscopy and x-ray photoelectron spectroscopy (XPS). B K-edge NEXAFS spectra show a clear change in the energy region of the {pi}{sup *} band before and after reaction with atomic deuterium. On the other hand, N K-edge NEXAFS spectra show only a little change. B 1s XPS spectra show a distinct component at the low binding energy side of a main component, while N 1s XPS spectra show peak broadening at the high binding energy side. These experimental results are analyzed by the discrete variational X{alpha} method with a core-hole effect and are explained by a model in which hydrogen atoms are preferentially adsorbed on the B sites of h-BN. Based on the experimental and theoretical results, we propose a site-selective property of BN material on adsorption of atomic hydrogen.

  20. Selective adsorption of atomic hydrogen on a h-BN thin film.

    PubMed

    Koswattage, Kaveenga Rasika; Shimoyama, Iwao; Baba, Yuji; Sekiguchi, Tetsuhiro; Nakagawa, Kazumichi

    2011-07-01

    The adsorption of atomic hydrogen on hexagonal boron nitride (h-BN) is studied using two element-specific spectroscopies, i.e., near-edge x-ray absorption fine structure (NEXAFS) spectroscopy and x-ray photoelectron spectroscopy (XPS). B K-edge NEXAFS spectra show a clear change in the energy region of the π* band before and after reaction with atomic deuterium. On the other hand, N K-edge NEXAFS spectra show only a little change. B 1s XPS spectra show a distinct component at the low binding energy side of a main component, while N 1s XPS spectra show peak broadening at the high binding energy side. These experimental results are analyzed by the discrete variational Xα method with a core-hole effect and are explained by a model in which hydrogen atoms are preferentially adsorbed on the B sites of h-BN. Based on the experimental and theoretical results, we propose a site-selective property of BN material on adsorption of atomic hydrogen. PMID:21744913

  1. The Abundances of Hydrocarbon Functional Groups in the Interstellar Medium Inferred from Laboratory Spectra of Hydrogenated and Methylated Polycyclic Aromatic Hydrocarbons

    NASA Astrophysics Data System (ADS)

    Steglich, M.; Jäger, C.; Huisken, F.; Friedrich, M.; Plass, W.; Räder, H.-J.; Müllen, K.; Henning, Th.

    2013-10-01

    Infrared (IR) absorption spectra of individual polycyclic aromatic hydrocarbons (PAHs) containing methyl (\\sbondCH3), methylene (\\protect{\\epsfbox{art/apjs484229un01.eps}}CH2), or diamond-like \\protect{\\epsfbox{art/apjs484229un02.eps}}CH groups and IR spectra of mixtures of methylated and hydrogenated PAHs prepared by gas-phase condensation were measured at room temperature (as grains in pellets) and at low temperature (isolated in Ne matrices). In addition, the PAH blends were subjected to an in-depth molecular structure analysis by means of high-performance liquid chromatography, nuclear magnetic resonance spectroscopy, and matrix-assisted laser desorption/ionization time-of-flight mass spectrometry. Supported by calculations at the density functional theory level, the laboratory results were applied to analyze in detail the aliphatic absorption complex of the diffuse interstellar medium at 3.4 μm and to determine the abundances of hydrocarbon functional groups. Assuming that the PAHs are mainly locked in grains, aliphatic CH x groups (x = 1, 2, 3) would contribute approximately in equal quantities to the 3.4 μm feature (N CHx /N H ≈ 10-5-2 × 10-5). The abundances, however, may be two to four times lower if a major contribution to the 3.4 μm feature comes from molecules in the gas phase. Aromatic \\epsfbox{art/apjs484229un03.eps} CH groups seem to be almost absent from some lines of sight, but can be nearly as abundant as each of the aliphatic components in other directions (N_{\\epsfbox{art/apjs484229un03.eps} CH}/N H lsim 2 × 10-5 upper value for grains). Due to comparatively low binding energies, astronomical IR emission sources do not display such heavy excess hydrogenation. At best, especially in protoplanetary nebulae, \\protect{\\epsfbox{art/apjs484229un01.eps}}CH2 groups bound to aromatic molecules, i.e., excess hydrogens on the molecular periphery only, can survive the presence of a nearby star.

  2. Nanochemistry at the atomic scale revealed in hydrogen-induced semiconductor surface metallization

    NASA Astrophysics Data System (ADS)

    Derycke, Vincent; Soukiassian, Patrick G.; Amy, Fabrice; Chabal, Yves J.; D'Angelo, Marie D.; Enriquez, Hanna B.; Silly, Mathieu G.

    2003-04-01

    Passivation of semiconductor surfaces against chemical attack can be achieved by terminating the surface-dangling bonds with a monovalent atom such as hydrogen. Such passivation invariably leads to the removal of all surface states in the bandgap, and thus to the termination of non-metallic surfaces. Here we report the first observation of semiconductor surface metallization induced by atomic hydrogen. This result, established by using photo-electron and photo-absorption spectroscopies and scanning tunnelling techniques, is achieved on a Si-terminated cubic silicon carbide (SiC) surface. It results from competition between hydrogen termination of surface-dangling bonds and hydrogen-generated steric hindrance below the surface. Understanding the ingredient for hydrogen-stabilized metallization directly impacts the ability to eliminate electronic defects at semiconductor interfaces critical for microelectronics, provides a means to develop electrical contacts on high-bandgap chemically passive materials, particularly for interfacing with biological systems, and gives control of surfaces for lubrication, for example of nanomechanical devices.

  3. Nanochemistry at the atomic scale revealed in hydrogen-induced semiconductor surface metallization.

    PubMed

    Derycke, Vincent; Soukiassian, Patrick G; Amy, Fabrice; Chabal, Yves J; D'angelo, Marie D; Enriquez, Hanna B; Silly, Mathieu G

    2003-04-01

    Passivation of semiconductor surfaces against chemical attack can be achieved by terminating the surface-dangling bonds with a monovalent atom such as hydrogen. Such passivation invariably leads to the removal of all surface states in the bandgap, and thus to the termination of non-metallic surfaces. Here we report the first observation of semiconductor surface metallization induced by atomic hydrogen. This result, established by using photo-electron and photo-absorption spectroscopies and scanning tunnelling techniques, is achieved on a Si-terminated cubic silicon carbide (SiC) surface. It results from competition between hydrogen termination of surface-dangling bonds and hydrogen-generated steric hindrance below the surface. Understanding the ingredient for hydrogen-stabilized metallization directly impacts the ability to eliminate electronic defects at semiconductor interfaces critical for microelectronics, provides a means to develop electrical contacts on high-bandgap chemically passive materials, particularly for interfacing with biological systems, and gives control of surfaces for lubrication, for example of nanomechanical devices.

  4. Monte Carlo studies of surface chemistry and nonthermal desorption involving interstellar grains.

    PubMed

    Herbst, Eric; Cuppen, Herma M

    2006-08-15

    Although still poorly understood, the chemistry that occurs on the surfaces of interstellar dust particles profoundly affects the growth of molecules in the interstellar medium. The most important surface reaction is the conversion of atomic to molecular hydrogen, which is a precursor for all subsequent molecular development and which occurs both in diffuse and dense interstellar clouds. Another set of surface reactions produces icy mantles of many monolayers in cold and dense regions of the interstellar medium. The monolayers are dominated by water ice but also contain CO, CO(2), and occasionally methanol. In this work, we first review both our stochastic approach to the surface chemistry that can occur on small dust particles and how it has been applied to the problem of the formation of molecular hydrogen. This latter problem is strongly affected by the pulsed heating of smaller grains by photons. Photons are not the only source of pulsed heating; cosmic rays also can heat interstellar grains in a pulsed manner. Here, we calculate the heating by cosmic rays for different grain sizes and cosmic ray components. It is then shown that this mechanism is an important one for desorption of ice mantles.

  5. Monte Carlo studies of surface chemistry and nonthermal desorption involving interstellar grains

    PubMed Central

    Herbst, Eric; Cuppen, Herma M.

    2006-01-01

    Although still poorly understood, the chemistry that occurs on the surfaces of interstellar dust particles profoundly affects the growth of molecules in the interstellar medium. The most important surface reaction is the conversion of atomic to molecular hydrogen, which is a precursor for all subsequent molecular development and which occurs both in diffuse and dense interstellar clouds. Another set of surface reactions produces icy mantles of many monolayers in cold and dense regions of the interstellar medium. The monolayers are dominated by water ice but also contain CO, CO2, and occasionally methanol. In this work, we first review both our stochastic approach to the surface chemistry that can occur on small dust particles and how it has been applied to the problem of the formation of molecular hydrogen. This latter problem is strongly affected by the pulsed heating of smaller grains by photons. Photons are not the only source of pulsed heating; cosmic rays also can heat interstellar grains in a pulsed manner. Here, we calculate the heating by cosmic rays for different grain sizes and cosmic ray components. It is then shown that this mechanism is an important one for desorption of ice mantles. PMID:16894170

  6. Theoretical realization of cluster-assembled hydrogen storage materials based on terminated carbon atomic chains.

    PubMed

    Liu, Chun-Sheng; An, Hui; Guo, Ling-Ju; Zeng, Zhi; Ju, Xin

    2011-01-14

    The capacity of carbon atomic chains with different terminations for hydrogen storage is studied using first-principles density functional theory calculations. Unlike the physisorption of H(2) on the H-terminated chain, we show that two Li (Na) atoms each capping one end of the odd- or even-numbered carbon chain can hold ten H(2) molecules with optimal binding energies for room temperature storage. The hybridization of the Li 2p states with the H(2)σ orbitals contributes to the H(2) adsorption. However, the binding mechanism of the H(2) molecules on Na arises only from the polarization interaction between the charged Na atom and the H(2). Interestingly, additional H(2) molecules can be bound to the carbon atoms at the chain ends due to the charge transfer between Li 2s2p (Na 3s) and C 2p states. More importantly, dimerization of these isolated metal-capped chains does not affect the hydrogen binding energy significantly. In addition, a single chain can be stabilized effectively by the C(60) fullerenes termination. With a hydrogen uptake of ∼10 wt.% on Li-coated C(60)-C(n)-C(60) (n = 5, 8), the Li(12)C(60)-C(n)-Li(12)C(60) complex, keeping the number of adsorbed H(2) molecules per Li and stabilizing the dispersion of individual Li atoms, can serve as better building blocks of polymers than the (Li(12)C(60))(2) dimer. These findings suggest a new route to design cluster-assembled hydrogen storage materials based on terminated sp carbon chains.

  7. Rydberg hydrogen atom near a metallic surface: Stark regime and ionization dynamics

    SciTech Connect

    Inarrea, Manuel; Salas, J. Pablo; Lanchares, Victor; Pascual, Ana Isabel; Palacian, Jesus F.; Yanguas, Patricia

    2007-11-15

    We investigate the classical dynamics of a hydrogen atom near a metallic surface in the presence of a uniform electric field. To describe the atom-surface interaction we use a simple electrostatic image model. Owing to the axial symmetry of the system, the z-component of the canonical angular momentum P{sub {phi}} is an integral and the electronic dynamics is modeled by a two degrees of freedom Hamiltonian in cylindrical coordinates. The structure and evolution of the phase space as a function of the electric field strength is explored extensively by means of numerical techniques of continuation of families of periodic orbits and Poincare surfaces of section. We find that, due to the presence of the electric field, the atom is strongly polarized through two consecutive pitchfork bifurcations that strongly change the phase space structure. Finally, by means of the phase space transition state theory and the classical spectral theorem, the ionization dynamics of the atom is studied.

  8. Relativistic spectrum of hydrogen atom in the space-time non-commutativity

    SciTech Connect

    Moumni, Mustafa; BenSlama, Achour; Zaim, Slimane

    2012-06-27

    We study space-time non-commutativity applied to the hydrogen atom and its phenomenological effects. We find that it modifies the Coulomb potential in the Hamiltonian and add an r{sup -3} part. By calculating the energies from Dirac equation using perturbation theory, we study the modifications to the hydrogen spectrum. We find that it removes the degeneracy with respect to the total angular momentum quantum number and acts like a Lamb shift. Comparing the results with experimental values from spectroscopy, we get a new bound for the space-time non-commutative parameter.

  9. The contribution of dissociative processes to the production of atomic lines in hydrogen plasmas

    NASA Technical Reports Server (NTRS)

    Kunc, J. A.

    1985-01-01

    The contribution of molecular dissociative processes to the production of atomic lines is considered for a steady-state hydrogen plasma. If the contribution of dissociative processes is dominant, a substantial simplification in plasma diagnostics can be achieved. Numerical calculations have been performed for the production of Balmer alpha, beta, and gamma lines in hydrogen plasmas with medium and large degrees of ionization (x greater than about 0.0001) and for electron temperatures of 5000-45,000 K and electron densities of 10 to the 10th to 10 to the 16th/cu cm.

  10. Interstellar grains within interstellar grains

    NASA Technical Reports Server (NTRS)

    Bernatowicz, Thomas J.; Amari, Sachiko; Zinner, Ernst K.; Lewis, Roy S.

    1991-01-01

    Five interstellar graphite spherules extracted from the Murchison carbonaceous meteorite are studied. The isotopic and elemental compositions of individual particles are investigated with the help of an ion microprobe, and this analysis is augmented with structural studies of ultrathin sections of the grain interiors by transmission electron microscopy. As a result, the following procedure for the formation of the interstellar graphite spherule bearing TiC crystals is inferred: (1) high-temperature nucleation and rapid growth of the graphitic carbon spherule in the atmosphere of a carbon-rich star, (2) nucleation and growth of TiC crystals during continued growth of the graphitic spherule and the accretion of TiC onto the spherule, (3) quenching of the graphite growth process by depletion of C or by isolation of the spherule before other grain types could condense.

  11. Magnetic state selection in atomic frequency and time standards. [hydrogen masers

    NASA Technical Reports Server (NTRS)

    Peters, H. E.

    1982-01-01

    Atomic standards such as those based upon cesium and hydrogen rely upon magnetic state selection to obtain population inversion in the hyperfine transition levels. Use of new design approaches and improved magnetic materials has made it possible to fabricate improved state selectors of small size, and thus the efficiency of utilization of beam flux is greatly improved and the size and weight of the standard is reduced. The sensitivity to magnetic perturbations is also decreased, so that the accuracy and stability of the standard is improved. Several new state selector designs are illustrated and the application to standards utilizing different atomic species is analyzed.

  12. Nonadiabatic coupling in cold collisions of spin-polarized metastable hydrogen atoms

    SciTech Connect

    Forrey, Robert C.; Dalgarno, Alex; Vanne, Yulian V.; Saenz, Alejandro; Froelich, Piotr

    2007-11-15

    Previous calculations of low-temperature cross sections for collisions between spin-polarized metastable hydrogen atoms are improved to include nonadiabatic radial and angular coupling at large interatomic separations. The electrostatic dipole-quadrupole interaction produces nonadiabatic radial coupling between (2s,2p) and (2p,2p) states, while the Coriolis interaction produces nonadiabatic angular coupling. Both of these long-range contributions are handled in a space-fixed atomic gauge that is particularly convenient for a spin-polarized system. The improved theoretical results are compared with an existing experiment.

  13. Measurement of the absolute cross section for multiphoton ionization of atomic hydrogen at 248 nm

    SciTech Connect

    Kyrala, G.A.; Nichols, T.D.

    1990-01-01

    We present measurements of the absolute rates for multiphoton ionization of the ground state from atomic hydrogen by a linearly polarized, subpicosecond KrF laser pulse at a wavelength of 248 nm. A laser crossed atomic beam technique is used. The irradiance was varied from 3{times}10{sup 12} w/cm{sup 2} to 2{times}10{sup 14} w/cm{sup 2} and three above threshold ionization peaks were observed. The measured rate for total electron production is less than predicted by the numerical and perturbation calculations, but significantly higher than calculated by the Reiss and Keldysh methods. 21 refs., 7 figs.

  14. CHEMI-IONIZATION IN SOLAR PHOTOSPHERE: INFLUENCE ON THE HYDROGEN ATOM EXCITED STATES POPULATION

    SciTech Connect

    Mihajlov, Anatolij A.; Ignjatovic, Ljubinko M.; Sreckovic, Vladimir A.; Dimitrijevic, Milan S. E-mail: mihajlov@ipb.ac.rs

    2011-03-15

    In this paper, the influence of chemi-ionization processes in H*(n {>=} 2) + H(1s) collisions, as well as the influence of inverse chemi-recombination processes on hydrogen atom excited-state populations in solar photosphere, are compared with the influence of concurrent electron-atom and electron-ion ionization and recombination processes. It has been found that the considered chemi-ionization/recombination processes dominate over the relevant concurrent processes in almost the whole solar photosphere. Thus, it is shown that these processes and their importance for the non-local thermodynamic equilibrium modeling of the solar atmosphere should be investigated further.

  15. Calculation of harmonic generation during the multiphoton ionization of the hydrogen atom

    SciTech Connect

    DeVries, P.L. )

    1990-04-01

    The response of a hydrogen atom to an intense nonresonant laser field is investigated by direct numerical solution of the time-dependent Schroedinger equation. This calculation is nonperturbative and does not involve the eigenstates of the field-free atom. An ionization rate for three-photon ionization is calculated and found to be in excellent agreement with previous values. The time-dependent electric dipole moment is calculated; its Fourier transform yields the spectrum of scattered light. Odd-order harmonic peaks through at least the 25th order are present in the spectrum.

  16. Hydrogen atom abstraction from aldehydes - OH + H2CO and O + H2CO

    NASA Technical Reports Server (NTRS)

    Dupuis, M.; Lester, W. A., Jr.

    1984-01-01

    The essential features of the potential energy surfaces governing hydrogen abstraction from formaldehyde by oxygen atom and hydroxyl radical have been characterized with ab inito multiconfiguration Hartree-Fock (MCHF) and configuration interaction (CI) wave functions. The results are consistent with a very small activation energy for the OH + H2CO reaction, and an activation energy of a few kcal/mol for the O + H2CO reaction. In the transition state structure of both systems, the attacking oxygen atom is nearly collinear with the attacked CH bond.

  17. Nonadiabatic couplings in low-energy collisions of hydrogen ground-state atoms

    SciTech Connect

    Wolniewicz, L.

    2003-10-01

    The effect of nonadiabatic couplings on low-energy s-wave scattering of two hydrogen atoms is investigated. Coupling matrix elements are computed in a wide range of internuclear distances. The resulting scattering equations are numerically unstable and therefore are integrated only approximately. Computations are performed for H, D, and T atoms. The phase shifts in the zero velocity limit are inversely proportional to the nuclear reduced mass {delta}{sub 0}{approx_equal}0.392/{mu}. This leads to infinite scattering lengths.

  18. SPECTRAL PROPERTIES OF {approx}0.5-6 keV ENERGETIC NEUTRAL ATOMS MEASURED BY THE INTERSTELLAR BOUNDARY EXPLORER (IBEX) ALONG THE LINES OF SIGHT OF VOYAGER

    SciTech Connect

    Desai, M. I.; Allegrini, F. A.; Dayeh, M. A.; McComas, D. J.; Schwadron, N. A.; De Majistre, B.; Funsten, H.; Heerikhuisen, J.; Pogorelov, N.; Zank, G. P.

    2012-04-20

    Energetic neutral atoms (ENAs) observed by the Interstellar Boundary Explorer (IBEX) provide powerful diagnostics about the origin of the progenitor ion populations and the physical mechanisms responsible for their production. Here we survey the fluxes, energy spectra, and energy dependence of the spectral indices of {approx}0.5-6 keV ENAs measured by IBEX-Hi along the lines of sight of Voyager 1 and 2. We compare the ENA spectra observed at IBEX with predictions of Zank et al. who modeled the microphysics of the heliospheric termination shock to predict the shape and relative contributions of three distinct heliosheath ion populations. We show that (1) the ENA spectral indices exhibit similar energy dependence along V1 and V2 directions-the spectrum hardens to {gamma} {approx} 1 between {approx}1 and 2 keV and softens to {gamma} {approx} 2 below {approx}1 keV and above {approx}2 keV, (2) the observed ENA fluxes agree to within {approx}50% of the Zank et al. predictions and are unlikely to be produced by core solar wind (SW) ions, and (3) the ENA spectra do not exhibit sharp cutoffs at {approx}twice the SW speed as is typically observed for shell-like pickup ion (PUI) distributions in the heliosphere. We conclude that ENAs at IBEX are generated by at least two types of ion populations whose relative contributions depend on the ENA energy: transmitted PUIs in the {approx}0.5-5 keV energy range and reflected PUIs above {approx}5 keV energy. The {approx}0.5-5 keV PUI distribution is probably a superposition of Maxwellian or kappa distributions and partially filled shell distributions in velocity space.

  19. The Infrared Spectrum of Protonated Ovalene in Solid Para-Hydrogen and its Possible Contribution to Interstellar Unidentified Infrared Emission

    NASA Astrophysics Data System (ADS)

    Tsuge, Masashi; Bahou, Mohammed; Wu, Yu-Jong; Allamandola, Louis; Lee, Yuan-Pern

    2016-07-01

    The mid-infrared emission from galactic objects, including reflection nebulae, planetary nebulae, proto-planetary nebulae, molecular clouds, etc, as well as external galaxies, is dominated by the unidentified infrared (UIR) emission bands. Large protonated polycyclic aromatic hydrocarbons (H+PAHs) were proposed as possible carriers, but no spectrum of an H+PAH has been shown to exactly match the UIR bands. Here, we report the IR spectrum of protonated ovalene (7-C32H15 +) measured in a para-hydrogen (p-H2) matrix at 3.2 K, generated by bombarding a mixture of ovalene and p-H2 with electrons during matrix deposition. Spectral assignments were made based on the expected chemistry and on the spectra simulated with the wavenumbers and infrared intensities predicted with the B3PW91/6-311++G(2d,2p) method. The close resemblance of the observed spectral pattern to that of the UIR bands suggests that protonated ovalene may contribute to the UIR emission, particularly from objects that emit Class A spectra, such as the IRIS reflection nebula, NGC 7023.

  20. A fuzzy-atom analysis of electron delocalization on hydrogen bonds.

    PubMed

    Guillaumes, L; Salvador, P; Simon, S

    2014-02-13

    The extent of electron delocalization is quantified for set of cyclic complexes exhibiting two or more hydrogen bonds (HBs). In particular, the delocalization index (DI) between the atoms directly involved in the HB, and the ING (a normalized n-center delocalization index) have been evaluated using several fuzzy-atom schemes, namely Becke, Becke-ρ, Hirshfeld, and Hirshfeld-Iterative. The results have been compared with the widely used Quantum Theory of Atoms in Molecules (QTAIM) atomic definition. The DI values are found to correlate very well with geometrical or topological descriptors widely used in the literature to characterize HB systems. Among all fuzzy-atom methods, the ones that can better accommodate the different partial ionic character of the bonds perform particularly well. The best performing fuzzy-atom scheme for both pairwise and n-center electron delocalization is found to be the Becke-ρ method, for which similar results to QTAIM model are obtained with a much reduced computational cost. These results open up a wide range of applications of such electron delocalization descriptors based on fuzzy-atoms for noncovalent interactions in more complex and larger systems.

  1. A fuzzy-atom analysis of electron delocalization on hydrogen bonds.

    PubMed

    Guillaumes, L; Salvador, P; Simon, S

    2014-02-13

    The extent of electron delocalization is quantified for set of cyclic complexes exhibiting two or more hydrogen bonds (HBs). In particular, the delocalization index (DI) between the atoms directly involved in the HB, and the ING (a normalized n-center delocalization index) have been evaluated using several fuzzy-atom schemes, namely Becke, Becke-ρ, Hirshfeld, and Hirshfeld-Iterative. The results have been compared with the widely used Quantum Theory of Atoms in Molecules (QTAIM) atomic definition. The DI values are found to correlate very well with geometrical or topological descriptors widely used in the literature to characterize HB systems. Among all fuzzy-atom methods, the ones that can better accommodate the different partial ionic character of the bonds perform particularly well. The best performing fuzzy-atom scheme for both pairwise and n-center electron delocalization is found to be the Becke-ρ method, for which similar results to QTAIM model are obtained with a much reduced computational cost. These results open up a wide range of applications of such electron delocalization descriptors based on fuzzy-atoms for noncovalent interactions in more complex and larger systems. PMID:24444143

  2. Interstitial modification of palladium nanoparticles with boron atoms as a green catalyst for selective hydrogenation.

    PubMed

    Chan, Chun Wong Aaron; Mahadi, Abdul Hanif; Li, Molly Meng-Jung; Corbos, Elena Cristina; Tang, Chiu; Jones, Glenn; Kuo, Winson Chun Hsin; Cookson, James; Brown, Christopher Michael; Bishop, Peter Trenton; Tsang, Shik Chi Edman

    2014-01-01

    Lindlar catalysts comprising of palladium/calcium carbonate modified with lead acetate and quinoline are widely employed industrially for the partial hydrogenation of alkynes. However, their use is restricted, particularly for food, cosmetic and drug manufacture, due to the extremely toxic nature of lead, and the risk of its leaching from catalyst surface. In addition, the catalysts also exhibit poor selectivities in a number of cases. Here we report that a non-surface modification of palladium gives rise to the formation of an ultra-selective nanocatalyst. Boron atoms are found to take residence in palladium interstitial lattice sites with good chemical and thermal stability. This is favoured due to a strong host-guest electronic interaction when supported palladium nanoparticles are treated with a borane tetrahydrofuran solution. The adsorptive properties of palladium are modified by the subsurface boron atoms and display ultra-selectivity in a number of challenging alkyne hydrogenation reactions, which outclass the performance of Lindlar catalysts. PMID:25523894

  3. Oxygen atom kinetics in silane-hydrogen-nitrous oxide mixtures behind reflected shock waves

    NASA Astrophysics Data System (ADS)

    Javoy, S.; Mével, R.; Dupré, G.

    2010-11-01

    Resonance Absorption Spectroscopy has been used to study the O-atom dynamics behind reflected shock waves in highly argon diluted silane-hydrogen-nitrous oxide mixtures in the temperature range 1606-2528 K and at total pressures from 234 to 584 kPa. The absorptions at 130.5 nm of N 2O, SiH 4 and Si have been taken into account to compare simulated and experimental absorption profiles. A detailed kinetic model has been also used to interpret the results and reaction pathway and sensitivity analyses have been performed to underline important elementary reactions. A comparison with the O-atom kinetic in silane-nitrous oxide and hydrogen-nitrous oxide mixtures is also proposed.

  4. K-series X-ray yield measurement of kaonic hydrogen atoms in a gaseous target

    NASA Astrophysics Data System (ADS)

    Bazzi, M.; Beer, G.; Bellotti, G.; Berucci, C.; Bragadireanu, A. M.; Bosnar, D.; Cargnelli, M.; Curceanu, C.; Butt, A. D.; d'Uffizi, A.; Fiorini, C.; Ghio, F.; Guaraldo, C.; Hayano, R. S.; Iliescu, M.; Ishiwatari, T.; Iwasaki, M.; Levi Sandri, P.; Marton, J.; Okada, S.; Pietreanu, D.; Piscicchia, K.; Romero Vidal, A.; Sbardella, E.; Scordo, A.; Shi, H.; Sirghi, D. L.; Sirghi, F.; Tatsuno, H.; Vazquez Doce, O.; Widmann, E.; Zmeskal, J.

    2016-10-01

    We measured the K-series X-rays of the K- p exotic atom in the SIDDHARTA experiment with a gaseous hydrogen target of 1.3 g /l, which is about 15 times the ρSTP of hydrogen gas. At this density, the absolute yields of kaonic X-rays, when a negatively charged kaon stopped inside the target, were determined to be 0.012-0.003+0.004 for Kα and 0.043-0.011+0.012 for all the K-series transitions Ktot. These results, together with the KEK E228 experiment results, confirm for the first time a target density dependence of the yield predicted by the cascade models, and provide valuable information to refine the parameters used in the cascade models for the kaonic atoms.

  5. Catechols as Sources of Hydrogen Atoms in Radical Deiodination and Related Reactions.

    PubMed

    Povie, Guillaume; Ford, Leigh; Pozzi, Davide; Soulard, Valentin; Villa, Giorgio; Renaud, Philippe

    2016-09-01

    When used with trialkylboranes, catechol derivatives, which are low-cost and low toxicity, are valuable hydrogen atom donors for radical chain reactions involving alkyl iodides and related radical precursors. The system 4-tert-butylcatechol/triethylborane has been used to reduce a series of secondary and tertiary iodides, a xanthate, and a thiohydroxamate ester. Catechol derivatives are right in the optimal kinetic window for synthetic applications, as demonstrated by highly efficient radical cyclizations. Cyclizations leading to the formation of quaternary centers can be performed in an all-at-once process (no slow addition of the hydrogen atom donor) at standard concentrations. The H-donor properties of catechol derivatives can be fine-tuned by changing their substitution pattern. In slow radical cyclization processes, an enhanced ratio of cyclized/uncyclized products was obtained by using 3-methoxycatechol instead of 4-tert-butylcatechol.

  6. Interstitial modification of palladium nanoparticles with boron atoms as a green catalyst for selective hydrogenation

    NASA Astrophysics Data System (ADS)

    Chan, Chun Wong Aaron; Mahadi, Abdul Hanif; Li, Molly Meng-Jung; Corbos, Elena Cristina; Tang, Chiu; Jones, Glenn; Kuo, Winson Chun Hsin; Cookson, James; Brown, Christopher Michael; Bishop, Peter Trenton; Tsang, Shik Chi Edman

    2014-12-01

    Lindlar catalysts comprising of palladium/calcium carbonate modified with lead acetate and quinoline are widely employed industrially for the partial hydrogenation of alkynes. However, their use is restricted, particularly for food, cosmetic and drug manufacture, due to the extremely toxic nature of lead, and the risk of its leaching from catalyst surface. In addition, the catalysts also exhibit poor selectivities in a number of cases. Here we report that a non-surface modification of palladium gives rise to the formation of an ultra-selective nanocatalyst. Boron atoms are found to take residence in palladium interstitial lattice sites with good chemical and thermal stability. This is favoured due to a strong host-guest electronic interaction when supported palladium nanoparticles are treated with a borane tetrahydrofuran solution. The adsorptive properties of palladium are modified by the subsurface boron atoms and display ultra-selectivity in a number of challenging alkyne hydrogenation reactions, which outclass the performance of Lindlar catalysts.

  7. Proton scattering by a hydrogen atom in an effectively two-body model

    SciTech Connect

    Pupyshev, V. V.

    2013-02-15

    It is assumed that the total potential of proton interaction with a hydrogen atom is the sum of the short-range nuclear soft-core Reid potential and the long-range Thomas-Fermi potential. A quantum mechanical analysis of low-energy features of the phase shift and cross section for elastic proton scattering on a hydrogen atom is given for the case of zero total angular momentum. The calculations performed in the present study within a nonlinear version of the variable-phase approach ultimately revealed that, because of a long-range character of the asymptotic behavior of the Thomas-Fermi potential, the respective cross section at low energies oscillates but has a finite number of zeros.

  8. Spectrum of the hydrogen atom in Snyder space in a semiclassical approximation

    NASA Astrophysics Data System (ADS)

    Ivetić, B.; Mignemi, S.; Samsarov, A.

    2016-03-01

    We study the spectrum of the hydrogen atom in Snyder space in a semiclassical approximation based on a generalization of the Born-Sommerfeld quantization rule. While the corrections to the standard quantum mechanical spectrum arise at first order in the Snyder parameter for the l =0 states, they are of second order for l ≠0 . This can be understood as due to the different topology of the regions of integration in phase space.

  9. Hydrogen atom donor compounds as contrast enhancers for black-and-white photothermographic and thermographic elements

    DOEpatents

    Harring, Lori S.; Simpson, Sharon M.; Sansbury, Francis H.

    1997-01-01

    Hydrogen atom donor compounds are useful as contrast enhancers when used in combination with (i) hindered phenol developers, and (ii) trityl hydrazide and/or formyl-phenyl hydrazine co-developers, to produce ultra-high contrast black-and-white photothermographic and thermographic elements. The photothermographic and thermographic elements may be used as a photomask in a process where there is a subsequent exposure of an ultraviolet or short wavelength visible radiation-sensitive imageable medium.

  10. Lamb shift in the hydrogen atom: Lifetime of the 2p{1/2}level

    SciTech Connect

    Karshenboim, S.G.

    1995-05-01

    Corrections of order {alpha}(Z{alpha}){sup 2} to the width of the 2p{1/2} level in the hydrogen atom are considered in the logarithmic approximation. The ratio of this width to the splitting of n=2 states can be measured to high accuracy. With the aid of the experimental data available for this ratio, the new value for the Lamb splitting is found to be 1057.8576(21) MHz. 17 refs.

  11. Distortion effects in electron excitation of hydrogen atoms by impact of heavy ions

    SciTech Connect

    Ramirez, C.A.; Rivarola, R.D.

    1995-12-01

    Electron excitation from the fundamental state of hydrogen atoms by impact of bare ions is studied at intermediate and high collision velocities. Total cross sections for final {ital np} states by impact of protons, alpha particles, and He{sup +} ions are calculated using the symmetric eikonal approximation and compared with experimental data. This comparison supports the existence of distortion effects recently predicted by Bugacov and co-workers [Phys. Rev. A {bold 47}, 1052 (1993)]. The validity of scaling laws is analyzed.

  12. Absolute rate of the reaction of hydrogen atoms with ozone from 219-360 K

    NASA Technical Reports Server (NTRS)

    Lee, J. H.; Michael, J. V.; Payne, W. A.; Stief, L. J.

    1978-01-01

    Absolute rate constants for the reaction of atomic hydrogen with ozone were obtained over the temperature range 219-360 K by the flash photolysis-resonance fluorescence technique. The results can be expressed in Arrhenius form by K = (1.33 plus or minus 0.32)x10 to the minus 10 power exp (-449 plus or minus 58/T) cu cm/molecule/s (two standard deviations). The present work is compared to two previous determinations and is discussed theoretically.

  13. Lower bounds to energies for cusped-gaussian wavefunctions. [hydrogen atom ground state

    NASA Technical Reports Server (NTRS)

    Eaves, J. O.; Walsh, B. C.; Steiner, E.

    1974-01-01

    Calculations for the ground states of H, He, and Be, conducted by Steiner and Sykes (1972), show that the inclusion of a very small number of cusp functions can lead to a substantial enhancement of the quality of the Gaussian basis used in molecular wavefunction computations. The properties of the cusped-Gaussian basis are investigated by a calculation of lower bounds concerning the ground state energy of the hydrogen atom.

  14. Effects of disorder on the correlation energy of rings of hydrogen atoms

    NASA Astrophysics Data System (ADS)

    Liegener, C.-M.; Ladik, J.

    1985-01-01

    The correlation energy of disordered systems has been calculated by means of second-order Rayleigh-Schrödinger perturbation theory in the M∅ller-Plesset partitioning. Rings of hydrogen atoms have been chosen as model systems and the degree of disorder has been varied from complete delocalization to complete localization of the one-particle states. The correlation energy was found to have an extremum at an intermediate degree of disorder, corresponding to incomplete localization.

  15. Tables of branching ratios for electric dipole transitions between arbitrary levels of hydrogen-like atoms

    NASA Technical Reports Server (NTRS)

    Omidvar, K.

    1977-01-01

    The branching ratios in hydrogen-like atoms due to the electric-dipole transitions are tabulated for the initial principal and azimuthal quantum numbers n prime l prime, and final principal and azimuthal quantum numbers n l. Average values with respect to l prime are given. The branching ratios not tabulated, including the initial states n prime yields infinity l prime corresponding to the threshold of the continuum, could be obtained by extrapolation.

  16. Interstellar Molecules

    ERIC Educational Resources Information Center

    Solomon, Philip M.

    1973-01-01

    Radioastronomy reveals that clouds between the stars, once believed to consist of simple atoms, contain molecules as complex as seven atoms and may be the most massive objects in our Galaxy. (Author/DF)

  17. THE INFRARED SPECTRA OF POLYCYCLIC AROMATIC HYDROCARBONS WITH SOME OR ALL HYDROGEN ATOMS REMOVED

    SciTech Connect

    Bauschlicher, Charles W. Jr.; Ricca, Alessandra E-mail: Alessandra.Ricca-1@nasa.gov

    2013-10-20

    The loss of one hydrogen from C{sub 96}H{sub 24} does not significantly affect the infrared spectra of the neutral, cation, or anion. Excluding a very weak C-C stretching band at 5.1 μm, the loss of two adjacent duo hydrogens does not significantly affect the spectra compared with the parent. Removing all of the hydrogen atoms significantly increases the intensity of the new C-C stretching band, and, for the cation, shifts it to a longer (5.2 μm) wavelength. Observations show a feature near 5.25 μm, which has been attributed to overtone and combination bands from polycyclic aromatic hydrocarbons (PAHs). This current work suggests that dehydrogenated PAHs might also contribute to this band, but its weakness implies that fully dehydrogenated cationic or dicationic species are very rare.

  18. Absolute rate calculations: atom and proton transfers in hydrogen-bonded systems.

    PubMed

    Barroso, Mónica; Arnaut, Luis G; Formosinho, Sebastião J

    2005-02-01

    We calculate energy barriers of atom- and proton-transfer reactions in hydrogen-bonded complexes in the gas phase. Our calculations do not involve adjustable parameters and are based on bond-dissociation energies, ionization potentials, electron affinities, bond lengths, and vibration frequencies of the reactive bonds. The calculated barriers are in agreement with experimental data and high-level ab initio calculations. We relate the height of the barrier with the molecular properties of the reactants and complexes. The structure of complexes with strong hydrogen bonds approaches that of the transition state, and substantially reduces the barrier height. We calculate the hydrogen-abstraction rates in H-bonded systems using the transition-state theory with the semiclassical correction for tunneling, and show that they are in excellent agreement with the experimental data. H-bonding leads to an increase in tunneling corrections at room temperature. PMID:15751360

  19. Europa - Ultraviolet emissions and the possibility of atomic oxygen and hydrogen clouds

    NASA Technical Reports Server (NTRS)

    Wu, F.-M.; Judge, D. L.; Carlson, R. W.

    1978-01-01

    Emission signals from Europa with wavelength below 800 A were detected by the Pioneer 10 ultraviolet photometer. In the present paper, improved procedures for data reduction are used to determine the spatial region as well as the intensity of the suggested emission sources. The observations indicate a cloud with a radius of about 1.5 Jupiter radii and an apparent brightness of approximately 10 rayleighs for a wavelength of 500 A. It is argued that neutral oxygen atoms, along with neutral hydrogen, are produced through dissociation of water ice on the surface of Europa by particle impact. Electron impact ionization excitation of oxygen atoms in the resulting cloud then gives rise to the observed emission. The present source brightness and cloud radius results are used to estimate an oxygen column density of the order of 10 trillion per sq cm, while the density of atomic hydrogen is at most 100 billion per sq cm and 1 trillion per sq cm for molecular hydrogen.

  20. Polarized Atomic Hydrogen Beam Tests in the Michigan Ultra-Cold Jet Target

    NASA Astrophysics Data System (ADS)

    Kageya, T.; Blinov, B. B.; Denbow, J. M.; Kandes, M. C.; Krisch, A. D.; Kulkarni, D. A.; Lehman, M. A.; Luppov, V. G.; Morozov, V. S.; Murray, J. R.; Peters, C. C.; Raymond, R. S.; Ross, M. R.; Yonehara, K.; Borisov, N. S.; Fimushkin, V. V.; Kleppner, D.; Grishin, V. N.; Mysnik, A. L.

    2001-04-01

    To study spin effects in high energy collisions, we are developing an ultra-cold high-density jet target of proton-spin-polarized hydrogen atoms (Michigan Jet Target). The target uses a 12 Tesla magnetic field and a 0.3 K separation cell coated with superfluid helium-4 to produce a slow monochromatic electron-spin-polarized atomic hydrogen beam; an rf transition unit then converts this into a proton-spin-polarized beam, which is focused by a superconducting sextupole into the interaction region. The Jet produced, at the detector, a spin-polarized atomic hydrogen beam with a measured intensity of about 1.7 10^15 H s-1 and a FWHM area of less than 0.13 cm^2. This intensity corresponds to a free jet density of about 1.3 10^12 H cm-3 with a proton polarization of about 50%. When the transition RF unit is installed, we expect a proton polarization higher than 90%.

  1. Polarized Atomic Hydrogen Beam Tests in the Mark-II Ultra-Cold Jet Target.

    NASA Astrophysics Data System (ADS)

    Luppov, V. G.; Blinov, B. B.; Gladycheva, S. E.; Kageya, T.; Kantsyrev, D. Yu.; Krisch, A. D.; Murray, J. R.; Neumann, J. J.; Raymond, R. S.; Borisov, N. S.; Kleppner, D.; Davidenko, A. M.; Grishin, V. N.

    2000-04-01

    To study spin effects in high energy collisions, we are developing an ultra-cold high-density jet target of proton-spin-polarized hydrogen atoms (Mark-II). The target uses a 12 Tesla magnetic field and a 0.3 K separation cell coated with superfluid helium-4 to produce a slow monochromatic electron-spin-polarized atomic hydrogen beam; an rf transition unit then converts this into a proton-spin-polarized beam, which is focused by a superconducting sextupole into the interaction region. Recently, the Jet produced a measured electron-spin-polarized atomic hydrogen beam of about 10^15 H s-1 into a 0.3 cm^2 area at the detector. This intensity corresponds to the free jet density of about 10^11 H cm-3 with a proton polarization of about 50%. So far, the intensity is limited by the high insulation vacuum pressure due to the evaporation of the separation cell's helium film. The beam's angular and radial distributions were measured. A test of a new superfluid-^4He-coated parabolic mirror, attached to the separation cell, appeared to increase the beam intensity by a factor of about 3, as expected.

  2. Confinement effects of magnetic field on two-dimensional hydrogen atom in plasmas

    SciTech Connect

    Bahar, M. K.; Soylu, A.

    2015-05-15

    In this study, for the first time, the Schrödinger equation with more general exponential cosine screened Coulomb (MGECSC) potential is solved numerically in the presence and in the absence of an external magnetic field within two-dimensional formalism using the asymptotic iteration method. The MGECSC potential includes four different potential forms when considering different sets of the parameters in the potential. The plasma screening effects in the weak and strong magnetic field regimes as well as the confinement effects of magnetic field on the two-dimensional hydrogen atom in Debye and quantum plasmas are investigated by solving the corresponding equations. It is found that applying a uniform magnetic field on the hydrogen atom embedded in a plasma leads to change in the profile of the total interaction potential. Thus, confinement effects of magnetic field on hydrogen atom embedded in Debye and quantum plasmas modeled by a MGECSC potential lead to shift bound state energies. This effect would be important to isolate the plasma from the external environment in the experimental applications of plasma physics.

  3. Transport of atomic hydrogen through graphite and its reaction with azoaromatic compounds.

    PubMed

    Ye, Jianchang; Chiu, Pei C

    2006-06-15

    Graphite is a major non-iron component in commercial iron granules that are typically used for groundwater remediation. Recent studies suggest graphite inclusions in commercial iron may serve as both adsorption and reaction sites for nitrogenous pollutants such as nitroaromatics, nitrate esters, and heterocyclic nitramines. In this study, we investigated graphite-mediated reduction of azoaromatic compounds with elemental iron in dialysis cells, where azo compounds and iron were physically separated by graphite foil. Both the nonpolar azobenzene and the water-soluble orange G were reduced to aniline, suggesting that exposed graphite in granular iron may mediate reduction of both polar and nonpolar compounds. Orange G reduction was zero-order and commenced after a long initial lag. Both the lag time and the zero-order rate constant varied with graphite thickness, consistent with the explanation that orange G reduction was limited by atomic hydrogen, which was formed via anaerobic iron corrosion and spilled over to graphite. Involvement of atomic hydrogen was confirmed by detection of deuterated aniline when iron was placed in a D2O-based buffer. Our results indicate that atomic hydrogen is mobile in graphite at room temperature, is reactive toward azoaromatic compounds, and may be consumed during transport in graphite.

  4. RAPID COMMUNICATION: High silicon etch rates by hot filament generated atomic hydrogen

    NASA Astrophysics Data System (ADS)

    Wanka, H. N.; Schubert, M. B.

    1997-04-01

    The etching of hydrogenated amorphous silicon (a-Si:H) and microcrystalline silicon by hot tungsten filament generated atomic hydrogen has been investigated. Room-temperature etch rates of 27 Å 0022-3727/30/8/002/img1 for amorphous and 20 Å 0022-3727/30/8/002/img1 for microcrystalline silicon have been achieved. Boron doping decreases the etch rate, whereas phosphorus doping does not affect it. No surface roughening occurs, even for the highest a-Si:H etch rates. In the initial phase of the etch process, however, a bond structure modification arises close to the surface. An increase of microcrystalline silicon etch rates towards the substrate/film interface reflects the coalescence of the microcrystalline nuclei. Hot filament atomic hydrogen etching provides high etch rates of amorphous and polycrystalline silicon with a high selectivity against metals and thermal oxide. Due to its simple setup and control, this kind of hydrogen etching is very interesting for applications in semiconductor technology where F- or Cl-etchants are to be avoided.

  5. A survey of interstellar neutral potassium. I - Abundances and physical conditions in clouds toward 188 early-type stars

    NASA Technical Reports Server (NTRS)

    Chaffee, F. H., Jr.; White, R. E.

    1982-01-01

    Observations of interstellar absorption in the resonance doublet 7664, 7698 A of neutral potassium toward 188 early-type stars at a spectral resolution of 8 km/s are reported. The 7664 A line is successfully separated from nearly coincident telluric O2 absorption for all but a few of the 165 stars for which K I absorption is detected, making possible an abundance analysis by the doublet ratio method. The relationships between the potassium abundances and other atomic abundances, the abundance of molecular hydrogen, and interstellar reddening are investigated.

  6. Scientists Discover Two New Interstellar Molecules: Point to Probable Pathways for Chemical Evolution in Space

    NASA Astrophysics Data System (ADS)

    2004-06-01

    publication in the Astrophysical Journal Letters. In the GBT experiment, three aldehyde molecules were observed and appear to be related by simple hydrogen addition reactions, which probably occur on the surface of interstellar grains. An aldehyde is a molecule that contains the aldehyde group (CHO): a carbon atom singly bonded to a hydrogen atom and double-bonded to an oxygen atom; the remaining bond on that same carbon atom bonds to the rest of the molecule. Starting with previously reported propynal (HC2CHO), propenal (CH2CHCHO) is formed by adding two hydrogen atoms. By the same process propanal (CH3CH2CHO) is formed from propenal. After these molecules are formed on interstellar dust grains, they may be ejected as a diffuse gas. If enough molecules accumulate in the gas, they can be detected with a radio telescope. As the molecules rotate end-for-end, they change from one rotational energy state to another, emitting radio waves at precise frequencies. The "family" of radio frequencies emitted by a particular molecule forms a unique "fingerprint" that scientists can use to identify that molecule. The scientists identified the two new aldehydes by detecting a number of frequencies of radio emission in what is termed the K-band region (18 to 26 GHz) of the electromagnetic spectrum. "Interstellar molecules are identified by means of the frequencies that are unique to the rotational spectrum of each molecule," said Lovas. "These are either directly measured in the laboratory or calculated from the measured data. In this case we used the calculated spectral frequencies based on an analysis of the literature data." Complex molecules in space are of interest for many reasons, including their possible connection to the formation of biologically significant molecules on the early Earth. Complex molecules might have formed on the early Earth, or they might have first formed in interstellar clouds and been transported to the surface of the Earth. Molecules with the aldehyde group

  7. PROSPECTS FOR THE DETECTION OF INTERSTELLAR CYANOVINYLIDENE

    SciTech Connect

    Kolos, Robert; Gronowski, Marcin; Dobrowolski, Jan Cz.

    2009-08-10

    Prospects for the presence and detection of interstellar cyanovinylidene, CC(H)CN, a Y-shaped isomer of cyanoacetylene, are discussed. It is proposed that CC(H)CN can arise in interstellar clouds as one of the HC{sub 3}NH{sup +} + e {sup -} dissociative recombination products, by rearrangements of the neutral chain radical HC{sub 3}NH into branched species HCCC(H)N, CC(H)C(H)N, and/or HCC(H)CN, and by the subsequent elimination of a hydrogen atom. It is deduced that the abundance of cyanovinylidene in molecular clouds should be confined between the abundances of its chain isomers HNCCC and HCNCC. Quantum chemical predictions regarding cyanovinylidene geometry, ground-state rotational constants, centrifugal distortion constants, spin-orbit coupling, IR absorption spectroscopy, and electric dipole moment are given. The spectroscopically observed molecules formyl cyanide, NC{sub 2}(H)O, and propynal, HC{sub 3}(H)O, with structures qualitatively resembling cyanovinylidene, served to prove the adequacy of the calculational procedures employed.

  8. Isotope Dependence and Quantum Effects on Atomic Hydrogen Diffusion in Liquid Water.

    PubMed

    Walker, J A; Mezyk, S P; Roduner, E; Bartels, D M

    2016-03-01

    Relative diffusion coefficients were determined in water for the D, H, and Mu isotopes of atomic hydrogen by measuring their diffusion-limited spin-exchange rate constants with Ni(2+) as a function of temperature. H and D atoms were generated by pulse radiolysis of water and measured by time-resolved pulsed EPR. Mu atoms are detected by muonium spin resonance. To isolate the atomic mass effect from solvent isotope effect, we measured all three spin-exchange rates in 90% D2O. The diffusion depends on the atomic mass, demonstrating breakdown of Stokes-Einstein behavior. The diffusion can be understood using a combination of water "cavity diffusion" and "hopping" mechanisms, as has been proposed in the literature. The H/D isotope effect agrees with previous modeling using ring polymer molecular dynamics. The "quantum swelling" effect on muonium due to its larger de Broglie wavelength does not seem to slow its "hopping" diffusion as much as predicted in previous work. Quantum effects of both the atom mass and the water librations have been modeled using RPMD and a qTIP4P/f quantized flexible water model. These results suggest that the muonium diffusion is very sensitive to the Mu versus water potential used.

  9. Revisiting the inelastic electron tunneling spectroscopy of single hydrogen atom adsorbed on the Cu(100) surface.

    PubMed

    Jiang, Zhuoling; Wang, Hao; Sanvito, Stefano; Hou, Shimin

    2015-12-21

    Inelastic electron tunneling spectroscopy (IETS) of a single hydrogen atom on the Cu(100) surface in a scanning tunneling microscopy (STM) configuration has been investigated by employing the non-equilibrium Green's function formalism combined with density functional theory. The electron-vibration interaction is treated at the level of lowest order expansion. Our calculations show that the single peak observed in the previous STM-IETS experiments is dominated by the perpendicular mode of the adsorbed H atom, while the parallel one only makes a negligible contribution even when the STM tip is laterally displaced from the top position of the H atom. This propensity of the IETS is deeply rooted in the symmetry of the vibrational modes and the characteristics of the conduction channel of the Cu-H-Cu tunneling junction, which is mainly composed of the 4s and 4pz atomic orbitals of the Cu apex atom and the 1s orbital of the adsorbed H atom. These findings are helpful for deepening our understanding of the propensity rules for IETS and promoting IETS as a more popular spectroscopic tool for molecular devices.

  10. Revisiting the inelastic electron tunneling spectroscopy of single hydrogen atom adsorbed on the Cu(100) surface

    SciTech Connect

    Jiang, Zhuoling; Wang, Hao; Sanvito, Stefano; Hou, Shimin

    2015-12-21

    Inelastic electron tunneling spectroscopy (IETS) of a single hydrogen atom on the Cu(100) surface in a scanning tunneling microscopy (STM) configuration has been investigated by employing the non-equilibrium Green’s function formalism combined with density functional theory. The electron-vibration interaction is treated at the level of lowest order expansion. Our calculations show that the single peak observed in the previous STM-IETS experiments is dominated by the perpendicular mode of the adsorbed H atom, while the parallel one only makes a negligible contribution even when the STM tip is laterally displaced from the top position of the H atom. This propensity of the IETS is deeply rooted in the symmetry of the vibrational modes and the characteristics of the conduction channel of the Cu-H-Cu tunneling junction, which is mainly composed of the 4s and 4p{sub z} atomic orbitals of the Cu apex atom and the 1s orbital of the adsorbed H atom. These findings are helpful for deepening our understanding of the propensity rules for IETS and promoting IETS as a more popular spectroscopic tool for molecular devices.

  11. Nonperturbative treatments of nonresonant multiphoton ionization of the hydrogen atom: weak field limit

    SciTech Connect

    Trombetta, F.; Basile, S.; Ferrante, G.

    1989-04-01

    A nonperturbative treatment of the multiphoton ionization of the hydrogen atom based on the S matrix and devised for nonresonant strong-field situations is analyzed in the weak-field limit. Comparisons are presented with other S matrices as well as other nonperturbative approaches. Our treatment is found to perform generally better than similar S-matrix treatments. The usual perturbative results are recovered provided that the photon wavelengths are sufficiently short and are off resonance with the atomic transitions. Important indications are obtained as to the role of the atomic structure, the relevance of the gauge consistency, and the reliability and improvement of the present nonperturbative treatment. The results represent a significant step toward an assessment of the S-matrix-based treatments of multiphoton ionization.

  12. Excited-state hydrogen-atom transfer along solvent wires: water molecules stop the transfer.

    PubMed

    Tanner, Christian; Thut, Markus; Steinlin, Andreas; Manca, Carine; Leutwyler, Samuel

    2006-02-01

    Excited-state hydrogen-atom transfer (ESHAT) along a hydrogen-bonded solvent wire occurs for the supersonically cooled n = 3 ammonia-wire cluster attached to the scaffold molecule 7-hydroxyquinoline (7HQ) [Tanner, C.; et al. Science 2003, 302, 1736]. Here, we study the analogous three-membered solvent-wire clusters 7HQ.(NH3)n.(H2O)m, n + m = 3, using resonant two-photon ionization (R2PI) and UV-UV hole-burning spectroscopies. Substitution of H2O for NH3 has a dramatic effect on the excited-state H-atom transfer: The threshold for the ESHAT reaction is approximately 200 cm(-1) for 7HQ.(NH3)3, approximately 350 cm(-1) for both isomers of the 7HQ.(NH3)2.H2O cluster, and approximately 600 cm(-1) for 7HQ.NH3.(H2O)2 but increases to approximately 2000 cm(-1) for the pure 7HQ.(H2O)3 water-wire cluster. To understand the effect of the chemical composition of the solvent wire on the H-atom transfer, the reaction profiles of the low-lying electronic excited states of the n = 3 pure and mixed solvent-wire clusters are calculated with the configuration interaction singles (CIS) method. For those solvent wires with an NH3 molecule at the first position, injection of the H atom into the wire can occur by tunneling. However, further H-atom transfer is blocked by a high barrier at the first (and second) H2O molecule along the solvent wire. H-atom transfer along the entire length of the solvent wire, leading to formation of the 7-ketoquinoline (7KQ) tautomer, cannot occur for any of the H2O-containing clusters, in agreement with experimentally observed absence of 7KQ fluorescence.

  13. Surface atomic relaxation and magnetism on hydrogen-adsorbed Fe(110) surfaces from first principles

    NASA Astrophysics Data System (ADS)

    Chohan, Urslaan K.; Jimenez-Melero, Enrique; Koehler, Sven P. K.

    2016-11-01

    We have computed adsorption energies, vibrational frequencies, surface relaxation and buckling for hydrogen adsorbed on a body-centred-cubic Fe(110) surface as a function of the degree of H coverage. This adsorption system is important in a variety of technological processes such as the hydrogen embrittlement in ferritic steels, which motivated this work, and the Haber-Bosch process. We employed spin-polarised density functional theory to optimise geometries of a six-layer Fe slab, followed by frozen mode finite displacement phonon calculations to compute Fe-H vibrational frequencies. We have found that the quasi-threefold (3f) site is the most stable adsorption site, with adsorption energies of ∼3.0 eV/H for all coverages studied. The long-bridge (lb) site, which is close in energy to the 3f site, is actually a transition state leading to the stable 3f site. The calculated harmonic vibrational frequencies collectively span from 730 to 1220 cm-1, for a range of coverages. The increased first-to-second layer spacing in the presence of adsorbed hydrogen, and the pronounced buckling observed in the Fe surface layer, may facilitate the diffusion of hydrogen atoms into the bulk, and therefore impact the early stages of hydrogen embrittlement in steels.

  14. Synthetic use of the primary kinetic isotope effect in hydrogen atom transfer: generation of α-aminoalkyl radicals.

    PubMed

    Wood, Mark E; Bissiriou, Sabine; Lowe, Christopher; Norrish, Andrew M; Sénéchal, Katell; Windeatt, Kim M; Coles, Simon J; Hursthouse, Michael B

    2010-10-21

    The extent to which deuterium can act as a protecting group to prevent unwanted 1,5-hydrogen atom transfer to aryl and vinyl radical intermediates was examined in the context of the generation of α-aminoalkyl radicals in a pyrrolidine ring. Intra- and intermolecular radical trapping following hydrogen atom transfer provides an illustration of the use of the primary kinetic isotope effect in directing the outcome of synthetic C-C bond-forming processes.

  15. Selective hydrogenation of 1,3-butadiene on platinum–copper alloys at the single-atom limit

    PubMed Central

    Lucci, Felicia R.; Liu, Jilei; Marcinkowski, Matthew D.; Yang, Ming; Allard, Lawrence F.; Flytzani-Stephanopoulos, Maria; Sykes, E. Charles H.

    2015-01-01

    Platinum is ubiquitous in the production sectors of chemicals and fuels; however, its scarcity in nature and high price will limit future proliferation of platinum-catalysed reactions. One promising approach to conserve platinum involves understanding the smallest number of platinum atoms needed to catalyse a reaction, then designing catalysts with the minimal platinum ensembles. Here we design and test a new generation of platinum–copper nanoparticle catalysts for the selective hydrogenation of 1,3-butadiene,, an industrially important reaction. Isolated platinum atom geometries enable hydrogen activation and spillover but are incapable of C–C bond scission that leads to loss of selectivity and catalyst deactivation. γ-Alumina-supported single-atom alloy nanoparticle catalysts with <1 platinum atom per 100 copper atoms are found to exhibit high activity and selectivity for butadiene hydrogenation to butenes under mild conditions, demonstrating transferability from the model study to the catalytic reaction under practical conditions. PMID:26449766

  16. Selective hydrogenation of 1,3-butadiene on platinum–copper alloys at the single-atom limit

    SciTech Connect

    Lucci, Felicia R.; Liu, Jilei; Marcinkowski, Matthew D.; Yang, Ming; Allard, Lawrence F.; Flytzani-Stephanopoulos, Maria; Sykes, E. Charles H.

    2015-10-09

    Platinum is ubiquitous in the production sectors of chemicals and fuels; however, its scarcity in nature and high price will limit future proliferation of platinum-catalysed reactions. One definite approach to conserve platinum involves understanding the smallest number of platinum atoms needed to catalyse a reaction, then designing catalysts with the minimal platinum ensembles. Here we design and test a new generation of platinum–copper nanoparticle catalysts for the selective hydrogenation of 1,3-butadiene,, an industrially important reaction. Isolated platinum atom geometries enable hydrogen activation and spillover but are incapable of C–C bond scission that leads to loss of selectivity and catalyst deactivation. γ-Alumina-supported single-atom alloy nanoparticle catalysts with <1 platinum atom per 100 copper atoms are found to exhibit high activity and selectivity for butadiene hydrogenation to butenes under mild conditions, demonstrating transferability from the model study to the catalytic reaction under practical conditions.

  17. Selective hydrogenation of 1,3-butadiene on platinum-copper alloys at the single-atom limit

    NASA Astrophysics Data System (ADS)

    Lucci, Felicia R.; Liu, Jilei; Marcinkowski, Matthew D.; Yang, Ming; Allard, Lawrence F.; Flytzani-Stephanopoulos, Maria; Sykes, E. Charles H.

    2015-10-01

    Platinum is ubiquitous in the production sectors of chemicals and fuels; however, its scarcity in nature and high price will limit future proliferation of platinum-catalysed reactions. One promising approach to conserve platinum involves understanding the smallest number of platinum atoms needed to catalyse a reaction, then designing catalysts with the minimal platinum ensembles. Here we design and test a new generation of platinum-copper nanoparticle catalysts for the selective hydrogenation of 1,3-butadiene,, an industrially important reaction. Isolated platinum atom geometries enable hydrogen activation and spillover but are incapable of C-C bond scission that leads to loss of selectivity and catalyst deactivation. γ-Alumina-supported single-atom alloy nanoparticle catalysts with <1 platinum atom per 100 copper atoms are found to exhibit high activity and selectivity for butadiene hydrogenation to butenes under mild conditions, demonstrating transferability from the model study to the catalytic reaction under practical conditions.

  18. Selective hydrogenation of 1,3-butadiene on platinum-copper alloys at the single-atom limit.

    PubMed

    Lucci, Felicia R; Liu, Jilei; Marcinkowski, Matthew D; Yang, Ming; Allard, Lawrence F; Flytzani-Stephanopoulos, Maria; Sykes, E Charles H

    2015-01-01

    Platinum is ubiquitous in the production sectors of chemicals and fuels; however, its scarcity in nature and high price will limit future proliferation of platinum-catalysed reactions. One promising approach to conserve platinum involves understanding the smallest number of platinum atoms needed to catalyse a reaction, then designing catalysts with the minimal platinum ensembles. Here we design and test a new generation of platinum-copper nanoparticle catalysts for the selective hydrogenation of 1,3-butadiene,, an industrially important reaction. Isolated platinum atom geometries enable hydrogen activation and spillover but are incapable of C-C bond scission that leads to loss of selectivity and catalyst deactivation. γ-Alumina-supported single-atom alloy nanoparticle catalysts with <1 platinum atom per 100 copper atoms are found to exhibit high activity and selectivity for butadiene hydrogenation to butenes under mild conditions, demonstrating transferability from the model study to the catalytic reaction under practical conditions. PMID:26449766

  19. Formation of metastable atomic hydrogen in the 2s state from symmetry-resolved doubly excited states of molecular hydrogen

    SciTech Connect

    Odagiri, Takeshi; Kumagai, Yoshiaki; Nakano, Motoyoshi; Tanabe, Takehiko; Kitajima, Masashi; Kouchi, Noriyuki; Suzuki, Isao H.

    2011-11-15

    The cross sections for the formation of the metastable atomic hydrogen in the 2s state in photoexcitation of H{sub 2} and D{sub 2} were measured as a function of the incident photon energy in the range of the doubly excited states with their symmetries of the electronic states, {sup 1}{Sigma}{sub u}{sup +} or {sup 1}{Pi}{sub u}, being resolved. It has turned out from the comparison with the cross-section curves for other dissociation processes and the theoretical calculation [J. D. Bozek et al., J. Phys. B 39, 4871 (2006)] that the Q{sub 2}{sup 1}{Pi}{sub u}(1) doubly excited state of H{sub 2} dissociates into both H(2s) + H(2p) and H(2p) + H(2p). The dissociation dynamics of this state has been discussed in terms of the nonadiabatic transition during neutral dissociations.

  20. A Guided-Inquiry Lab for the Analysis of the Balmer Series of the Hydrogen Atomic Spectrum

    ERIC Educational Resources Information Center

    Bopegedera, A. M. R. P.

    2011-01-01

    A guided-inquiry lab was developed to analyze the Balmer series of the hydrogen atomic spectrum. The emission spectrum of hydrogen was recorded with a homemade benchtop spectrophotometer. By drawing graphs and a trial-and-error approach, students discover the linear relationship presented in the Rydberg formula and connect it with the Bohr model…

  1. Interstellar Alcohols

    NASA Technical Reports Server (NTRS)

    Charnley, S. B.; Kress, M. E.; Tielens, A. G. G. M.; Millar, T. J.

    1995-01-01

    We have investigated the gas-phase chemistry in dense cores where ice mantles containing ethanol and other alcohols have been evaporated. Model calculations show that methanol, ethanol, propanol, and butanol drive a chemistry leading to the formation of several large ethers and esters. Of these molecules, methyl ethyl ether (CH3OC2H5) and diethyl ether (C2H5)2O attain the highest abundances and should be present in detectable quantities within cores rich in ethanol and methanol. Gas-phase reactions act to destroy evaporated ethanol and a low observed abundance of gas-phase C,H,OH does not rule out a high solid-phase abundance. Grain surface formation mechanisms and other possible gas-phase reactions driven by alcohols are discussed, as are observing strategies for the detection of these large interstellar molecules.

  2. Silicon chemistry in interstellar clouds

    NASA Technical Reports Server (NTRS)

    Langer, William D.; Glassgold, A. E.

    1990-01-01

    A new model of interstellar silicon chemistry is presented that explains the lack of SiO detections in cold clouds and contains an exponential temperature dependence for the SiO abundance. A key aspect of the model is the sensitivity of SiO production by neutral silicon reactions to density and temperature, which arises from the dependence of the rate coefficients on the population of the excited fine-structure levels of the silicon atom. As part of the explanation of the lack of SiO detections at low temperatures and densities, the model also emphasizes the small efficiencies of the production routes and the correspondingly long times needed to reach equilibrium. Measurements of the abundance of SiO, in conjunction with theory, can provide information on the physical properties of interstellar clouds such as the abundance of oxygen bearing molecules and the depletion of interstellar silicon.

  3. Efficient epoxidation of a terminal alkene containing allylic hydrogen atoms: trans-methylstyrene on Cu{111}.

    PubMed

    Cropley, Rachael L; Williams, Federico J; Urquhart, Andrew J; Vaughan, Owain P H; Tikhov, Mintcho S; Lambert, Richard M

    2005-04-27

    The selective oxidation of trans-methylstyrene, a phenyl-substituted propene that contains labile allylic hydrogen atoms, has been studied on Cu{111}. Mass spectrometry and synchrotron fast XPS were used to detect, respectively, desorbing gaseous products and the evolution of surface species as a function of temperature and time. Efficient partial oxidation occurs yielding principally the epoxide, and the behavior of the system is sensitive to the order in which reactants are adsorbed. The latter is understandable in terms of differences in the spatial distribution of oxygen adatoms; isolated adatoms lead to epoxidation, while islands of "oxidic" oxygen do not. NEXAFS data taken over a range of coverages and in the presence and absence of coadsorbed oxygen indicate that the adsorbed alkene lies essentially flat with the allylic hydrogen atoms close to the surface. The photoemission results and comparison with the corresponding behavior of styrene on Cu{111} strongly suggest that allylic hydrogen abstraction is indeed a critical factor that limits epoxidation selectivity. An overall mechanism consistent with the structural and reactive properties is proposed.

  4. Stable isolated metal atoms as active sites for photocatalytic hydrogen evolution.

    PubMed

    Xing, Jun; Chen, Jian Fu; Li, Yu Hang; Yuan, Wen Tao; Zhou, Ying; Zheng, Li Rong; Wang, Hai Feng; Hu, P; Wang, Yun; Zhao, Hui Jun; Wang, Yong; Yang, Hua Gui

    2014-02-17

    The process of using solar energy to split water to produce hydrogen assisted by an inorganic semiconductor is crucial for solving our energy crisis and environmental problems in the future. However, most semiconductor photocatalysts would not exhibit excellent photocatalytic activity without loading suitable co-catalysts. Generally, the noble metals have been widely applied as co-catalysts, but always agglomerate during the loading process or photocatalytic reaction. Therefore, the utilization efficiency of the noble co-catalysts is still very low on a per metal atom basis if no obvious size effect exists, because heterogeneous catalytic reactions occur on the surface active atoms. Here, for the first time, we have synthesized isolated metal atoms (Pt, Pd, Rh, or Ru) stably by anchoring on TiO2 , a model photocatalystic system, by a facile one-step method. The isolated metal atom based photocatalysts show excellent stability for H2 evolution and can lead to a 6-13-fold increase in photocatalytic activity over the metal clusters loaded on TiO2 by the traditional method. Furthermore, the configurations of isolated atoms as well as the originality of their unusual stability were analyzed by a collaborative work from both experiments and theoretical calculations.

  5. Density functional study of manganese atom adsorption on hydrogen-terminated armchair boron nitride nanoribbons

    NASA Astrophysics Data System (ADS)

    Abdullahi, Yusuf Zuntu; Rahman, Md. Mahmudur; Shuaibu, Alhassan; Abubakar, Shamsu; Zainuddin, Hishamuddin; Muhida, Rifki; Setiyanto, Henry

    2014-08-01

    In this paper, we have investigated stable structural, electric and magnetic properties of manganese (Mn) atom adsorption on armchair hydrogen edge-terminated boron nitride nanoribbon (A-BNNRs) using first principles method based on density-functional theory with the generalized gradient approximation. Calculation shows that Mn atom situated on the ribbons of A-BNNRs is the most stable configuration, where the bonding is more pronounced. The projected density of states (PDOS) of the favored configuration has also been computed. It has been found that the covalent bonding of boron (B), nitrogen (N) and Mn is mainly contributed by s, d like-orbitals of Mn and partially occupied by the 2p like-orbital of N. The difference in energy between the inner and the edge adsorption sites of A-BNNRs shows that Mn atoms prefer to concentrate at the edge sites. The electronic structures of the various configurations are wide, narrow-gap semiconducting and half-metallic, and the magnetic moment of Mn atoms are well preserved in all considered configurations. This has shown that the boron nitride (BN) sheet covered with Mn atoms demonstrates additional information on its usefulness in future spintronics, molecular magnet and nanoelectronics devices.

  6. The Absolute Rates of the Solution Phase Addition of Atomic Hydrogen to a Vinyl Ether and a Vinyl Ester. The Effect of Oxygen Substitution on Hydrogen Atom Reactivity with Olefins

    SciTech Connect

    Tanner, D. D.; Kandanarachchi, P.; Das, N. C.; Franz, James A.

    2003-04-08

    The reactions of vinyl butyl ether and vinyl butyrate with atomic hydrogen and deuterium lead to addition of atomic hydrogen to the terminal position of the olefins. This observation is consistent with the reactions carried out earlier with other olefins. Both the absolute rates of addition to vinylbutyl ether and vinyl butyrate in acetone and hexane were carried out at several temperatures. The relative rates are consistent with only modest stabilization of the transition state of the radical adduct by the ??-o substituent compared with hydrogen atom addition to 1-octene. The relative rates measured in acetone and hexane indicate no significant differential solvation of ground state relative to the transition structures of the hydrogen atom addition. The kinetics reveal that the early transition states of hydrogen atom addition exhibit little selectivity (vinyl ether versus simple olefin) in either abstraction of hydrogen ??- to the oxygen or by terminal addition to the olefinic ether, reflecting the modest influence of the increased enthalpy of reaction associated with resonance stabilization by the oxygen substituent at the developing radical site.

  7. Exposure of GaAs to atomic hydrogen for cleaning prior to NEA photocathode activation

    SciTech Connect

    Sinclair, C.K.; Poelker, B.M.; Price, J.S.

    1998-12-31

    Creating an atomically clean semiconductor surface is an essential step in preparing negative electron affinity (NEA) photoemission cathodes. While bulk GaAs can be satisfactorily cleaned by chemical etching and in situ heat cleaning, many high polarization electron source materials are either much too thin, or have oxides and carbides which are too tightly bound, to be cleaned by these methods. Some polarized source candidate materials may be degraded during the heat cleaning step. It is well established that the exposure of many III-V, II-VI, and elemental semiconductors to atomic hydrogen, typically at elevated temperatures, produces semiconductor surfaces free of contamination. Furthermore, this cleaning, possibly followed by thermal annealing, leaves surfaces which show sharp LEED patterns, indicating good stoichiometry and surface order. Atomic hydrogen cleaning should eliminate the chemical etching step, and might reduce the temperature and/or temperature-time product presently used in forming NEA cathodes. The process is readily adaptable to in situ use in ultrahigh vaccum.

  8. Antiradical power of carotenoids and vitamin E: testing the hydrogen atom transfer mechanism.

    PubMed

    Martínez, Ana; Barbosa, Andrés

    2008-12-25

    The antiradical capacities of 13 carotenoids (CAR) and vitamin E are explored, by assessing CAR-H bond dissociation energy. Density functional theory (DFT) calculations were performed, in order to evaluate the hydrogen atom transfer (HAT) antiradical mechanism. Results indicate that C4 or C4' is not always the reactive position when it is unsubstituted and also that CAR without H atoms in the 4 position may be as effective against free radicals as other CAR with H atoms in C4 and C4'. Lutein is the most effective antiradical for the purpose of hydrogen abstraction, whereas the least effective antiradical for this process is canthaxanthin, which is one of the reddest CAR. Vitamin E is not as effective as most of the yellow CAR but may be a better antiradical than canthaxanthin. In addition to the CAR-H bond dissociation energy, the number of reactive positions as we report in this paper represents another important aspect for consideration, when analyzing capacity for scavenging free radicals. Many additional aspects exist, which we do not consider here; thus we cannot attempt to reflect all the factors seen in vivo. However, our results provide comparative information on the relative ability of CAR to protect against free radicals, using the CAR-H bond dissociation energy, as one useful parameter. We hope that our theoretical results will contribute to the advancement of this complex research field.

  9. Hydrogen atom transfer reactions in thiophenol: photogeneration of two new thione isomers.

    PubMed

    Reva, Igor; Nowak, Maciej J; Lapinski, Leszek; Fausto, Rui

    2015-02-21

    Photoisomerization reactions of monomeric thiophenol have been investigated for the compound isolated in low-temperature argon matrices. The initial thiophenol population consists exclusively of the thermodynamically most stable thiol form. Phototransformations were induced by irradiation of the matrices with narrowband tunable UV light. Irradiation at λ > 290 nm did not induce any changes in isolated thiophenol molecules. Upon irradiation at 290-285 nm, the initial thiol form of thiophenol converted into its thione isomer, cyclohexa-2,4-diene-1-thione. This conversion occurs by transfer of an H atom from the SH group to a carbon atom at the ortho position of the ring. Subsequent irradiation at longer wavelengths (300-427 nm) demonstrated that this UV-induced hydrogen-atom transfer is photoreversible. Moreover, upon irradiation at 400-425 nm, the cyclohexa-2,4-diene-1-thione product converts, by transfer of a hydrogen atom from the ortho to para position, into another thione isomer, cyclohexa-2,5-diene-1-thione. The latter thione isomer is also photoreactive and is consumed if irradiated at λ < 332 nm. The obtained results clearly show that H-atom-transfer isomerization reactions dominate the unimolecular photochemistry of thiophenol confined in a solid argon matrix. A set of low-intensity infrared bands, observed in the spectra of UV irradiated thiophenol, indicates the presence of a phenylthiyl radical with an H- atom detached from the SH group. Alongside the H-atom-transfer and H-atom-detachment processes, the ring-opening photoreaction occurred in cyclohexa-2,4-diene-1-thione by the cleavage of the C-C bond at the alpha position with respect to the thiocarbonyl C[double bond, length as m-dash]S group. The resulting open-ring conjugated thioketene adopts several isomeric forms, differing by orientations around single and double bonds. The species photogenerated upon UV irradiation of thiophenol were identified by comparison of their experimental infrared

  10. The evolution of organic mantles on interstellar grains

    NASA Technical Reports Server (NTRS)

    Schutte, Willem A.; Greenberg, J. Mayo

    1989-01-01

    By laboratory simulation of the chemical processes on dust grains it was investigated how solid organic materials can be produced in the interstellar medium. The ice mantles that accrete on grains in molecular clouds, consisting primarily of H2O, CO, H2CO, NH3, and O2, are irradiated by the internal UV field, resulting in the storage of radicals upon photodissociation of the original molecules. Transient heating events lead to the production of oxygen-rich organic species by recombination reactions. The experiments indicated that in this way the observed amount of organic material can be produced if a grain passes a few times through a molecular cloud during its life. After the destruction of the cloud the grains enter a more diffuse medium. Here they are subjected to the interstellar UV field as well as to collisions with atomic hydrogen. Experiments show that the intense photoprocessing results in the removal of small species like H2O and NH3 as well as in carbonization of the organic molecules. Contrary to this, the atomic H flux will maintain a certain hydrogen level in the mantle. These processes likely convert the original, oxygen-rich organics into an unsaturated hydrocarbon type material such as that observed towards IRS 7 and in Comet Halley grains.

  11. Global observations of the interstellar interaction from the Interstellar Boundary Explorer (IBEX).

    PubMed

    McComas, D J; Allegrini, F; Bochsler, P; Bzowski, M; Christian, E R; Crew, G B; DeMajistre, R; Fahr, H; Fichtner, H; Frisch, P C; Funsten, H O; Fuselier, S A; Gloeckler, G; Gruntman, M; Heerikhuisen, J; Izmodenov, V; Janzen, P; Knappenberger, P; Krimigis, S; Kucharek, H; Lee, M; Livadiotis, G; Livi, S; MacDowall, R J; Mitchell, D; Möbius, E; Moore, T; Pogorelov, N V; Reisenfeld, D; Roelof, E; Saul, L; Schwadron, N A; Valek, P W; Vanderspek, R; Wurz, P; Zank, G P

    2009-11-13

    The Sun moves through the local interstellar medium, continuously emitting ionized, supersonic solar wind plasma and carving out a cavity in interstellar space called the heliosphere. The recently launched Interstellar Boundary Explorer (IBEX) spacecraft has completed its first all-sky maps of the interstellar interaction at the edge of the heliosphere by imaging energetic neutral atoms (ENAs) emanating from this region. We found a bright ribbon of ENA emission, unpredicted by prior models or theories, that may be ordered by the local interstellar magnetic field interacting with the heliosphere. This ribbon is superposed on globally distributed flux variations ordered by both the solar wind structure and the direction of motion through the interstellar medium. Our results indicate that the external galactic environment strongly imprints the heliosphere. PMID:19833923

  12. Use of predissociation to enhance the atomic hydrogen ion fraction in ion sources

    DOEpatents

    Kim, Jinchoon

    1979-01-01

    A duopigatron ion source is modified by replacing the normal oxide-coated wire filament cathode of the ion source with a hot tungsten oven through which hydrogen gas is fed into the arc chamber. The hydrogen gas is predissociated in the hot oven prior to the arc discharge, and the recombination rate is minimized by hot walls inside of the arc chamber. With the use of the above modifications, the atomic H.sub.1.sup.+ ion fraction output can be increased from the normal 50% to greater than 70% with a corresponding decrease in the H.sub.2.sup.+ and H.sub.3.sup.+ molecular ion fraction outputs from the ion source.

  13. Multiply Confined Nickel Nanocatalysts Produced by Atomic Layer Deposition for Hydrogenation Reactions.

    PubMed

    Gao, Zhe; Dong, Mei; Wang, Guizhen; Sheng, Pei; Wu, Zhiwei; Yang, Huimin; Zhang, Bin; Wang, Guofu; Wang, Jianguo; Qin, Yong

    2015-07-27

    To design highly efficient catalysts, new concepts for optimizing the metal-support interactions are desirable. Here we introduce a facile and general template approach assisted by atomic layer deposition (ALD), to fabricate a multiply confined Ni-based nanocatalyst. The Ni nanoparticles are not only confined in Al2 O3 nanotubes, but also embedded in the cavities of Al2 O3 interior wall. The cavities create more Ni-Al2 O3 interfacial sites, which facilitate hydrogenation reactions. The nanotubes inhibit the leaching and detachment of Ni nanoparticles. Compared with the Ni-based catalyst supported on the outer surface of Al2 O3 nanotubes, the multiply confined catalyst shows a striking improvement of catalytic activity and stability in hydrogenation reactions. Our ALD-assisted template method is general and can be extended for other multiply confined nanoreactors, which may have potential applications in many heterogeneous reactions.

  14. Compact solid-state laser source for 1S-2S spectroscopy in atomic hydrogen

    SciTech Connect

    Kolachevsky, N.; Alnis, J.; Bergeson, S. D.; Haensch, T. W.

    2006-02-15

    We demonstrate a compact solid-state laser source for high-resolution two-photon spectroscopy of the 1S-2S transition in atomic hydrogen. The source emits up to 20 mW at 243 nm and consists of a 972 nm diode laser, a tapered amplifier, and two doubling stages. The diode laser is actively stabilized to a high-finesse cavity. We compare the new source to the stable 486 nm dye laser used in previous experiments and record 1S-2S spectra using both systems. With the solid-state laser system, we demonstrate a resolution of the hydrogen spectrometer of 6x10{sup 11}, which is promising for a number of high-precision measurements in hydrogenlike systems.

  15. Atom-economical synthesis of γ-valerolactone with self-supplied hydrogen from methanol.

    PubMed

    Li, Zheng; Tang, Xing; Jiang, Yetao; Wang, Yanjun; Zuo, Miao; Chen, Wei; Zeng, Xianhai; Sun, Yong; Lin, Lu

    2015-11-25

    γ-Valerolactone (GVL), a versatile biomass derived platform molecule, was synthesized with a highest yield of 89.8% from methyl levulinate (ML) using self-supplied H2 coming from the decomposition of MeOH derived partially from ML. Cu-Cr acted as a bi-functional catalyst for both H2 production from MeOH and carbonyl hydrogenation. An extremely low amount of MeOH (29 mol% relative to ML) was initially necessary to start up the hydrocyclization of ML to GVL and MeOH, which is in turn employed as an in situ H2 source for ML hydrogenation, providing an atom-economical pathway for GVL production. PMID:26403664

  16. Exact nonrelativistic polarizabilities of the hydrogen atom with the Lagrange-mesh method

    NASA Astrophysics Data System (ADS)

    Baye, Daniel

    2012-12-01

    Exact analytical expressions of the dipole polarizabilities of the nonrelativistic hydrogen atom in spherical coordinates are derived with the help of the Lagrange-mesh numerical method. This method can provide exact energies and wave functions for well-chosen conditions of calculation. Exact dipole polarizabilities are obtained after an unambiguous rounding up to at least principal quantum numbers around n=30. The scalar polarizability of any nl level is given by n4[4n2+14+7l(l+1)]/4 and its tensor polarizability is given by -n4[3n2-9+11l(l+1)]l/4(2l+3), which allows the calculation of the polarizability of any hydrogen state nlm.

  17. Interaction of atomic hydrogen with anthracene and polyacene from density functional theory

    NASA Astrophysics Data System (ADS)

    Ferullo, Ricardo M.; Castellani, Norberto J.; Belelli, Patricia G.

    2016-03-01

    The interaction of atomic hydrogen with two linear polycyclic aromatic hydrocarbons (PAHs), anthracene and polyacene (the polymer of benzene), was studied within the density functional theory (DFT). Using a proper dispersion-corrected method (DFT-D) the preferential physisorption sites were explored. The activation barrier for the bond formation between a peripheral C and the incoming H was calculated to be 58.5 and 34.1 meV with pure DFT on anthracene and polyacene at its antiferromagnetic ground state, respectively. DFT-D, although improves the description of the physisorbed state, tends to underestimate the chemisorption barriers due an artifact arising from the dispersion correction.

  18. Traces of Lorentz symmetry breaking in a hydrogen atom at ground state

    NASA Astrophysics Data System (ADS)

    Borges, L. H. C.; Barone, F. A.

    2016-02-01

    Some traces of a specific Lorentz symmetry breaking scenario in the ground state of the hydrogen atom are investigated. We use standard Rayleigh-Schrödinger perturbation theory in order to obtain the corrections to the ground state energy and the wave function. It is shown that an induced four-pole moment arises, due to the Lorentz symmetry breaking. The model considered is the one studied in Borges et al. (Eur Phys J C 74:2937, 2014), where the Lorentz symmetry is broken in the electromagnetic sector.

  19. Hydrogen Gas Sensors Fabricated on Atomically Flat 4H-SiC Webbed Cantilevers

    NASA Technical Reports Server (NTRS)

    Neudeck, Philip G.; Spry, David J.; Trunek, Andrew J.; Evans, Laura J.; Chen, Liang-Yu; Hunter, Gary W.; Androjna, Drago

    2007-01-01

    This paper reports on initial results from the first device tested of a "second generation" Pt-SiC Schottky diode hydrogen gas sensor that: 1) resides on the top of atomically flat 4H-SiC webbed cantilevers, 2) has integrated heater resistor, and 3) is bonded and packaged. With proper selection of heater resistor and sensor diode biases, rapid detection of H2 down to concentrations of 20 ppm was achieved. A stable sensor current gain of 125 +/- 11 standard deviation was demonstrated during 250 hours of cyclic test exposures to 0.5% H2 and N2/air.

  20. Relativistic corrections for screening effects on the energies of hydrogen-like atoms embedded in plasmas

    SciTech Connect

    Poszwa, A.; Bahar, M. K.

    2015-01-15

    The influence of relativistic and plasma screening effects on energies of hydrogen-like atoms embedded in plasmas has been studied. The Dirac equation with a more general exponential cosine screened potential has been solved numerically and perturbatively, by employing the direct perturbation theory. Properties of spectra corresponding to bound states and to different sets of the potential parameters have been studied both in nonrelativistic and relativistic approximations. Binding energies, fine-structure splittings, and relativistic energy shifts have been determined as functions of parameters of the potential. The results have been compared with the ones known from the literature.