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Sample records for include atomic oxygen

  1. Atomic oxygen stimulated outgassing

    Science.gov (United States)

    Linton, Roger C.; Reynolds, John M.

    1991-01-01

    The passive Long Duration Exposure Facility (LDEF) Experiment A0034, Atomic Oxygen Simulated Outgassing, consisted of two identical one-sixth tray modules, exposing selected thermal control coatings to atomic oxygen and the combined space environment on the leading edge and, for reference, to the relative wake environment on the trailing edge. Optical mirrors were included adjacent to the thermal coatings for deposition of outgassing products. Ultraviolet grade windows and metal covers were provided for additional assessment of the effects of the various environmental factors. Preliminary results indicate that orbital atomic oxygen is both a degrading and a optically restorative factor in the thermo-optical properties of selected thermal coatings. There is evidence of more severe optical degradation on collector mirrors adjacent to coatings that were exposed to the RAM-impinging atomic oxygen. This evidence of atomic oxygen stimulated outgassing is discussed in relation to alternative factors that could affect degradation. The general effects of the space environment on the experiment hardware as well as the specimens are discussed.

  2. Attenuation of Scattered Thermal Energy Atomic Oxygen

    Science.gov (United States)

    Banks, Bruce A.; Seroka, Katelyn T.; McPhate, Jason B.; Miller, Sharon K.

    2011-01-01

    The attenuation of scattered thermal energy atomic oxygen is relevant to the potential damage that can occur within a spacecraft which sweeps through atomic oxygen in low Earth orbit (LEO). Although there can be significant oxidation and resulting degradation of polymers and some metals on the external surfaces of spacecraft, there are often openings on a spacecraft such as telescope apertures, vents, and microwave cavities that can allow atomic oxygen to enter and scatter internally to the spacecraft. Atomic oxygen that enters a spacecraft can thermally accommodate and scatter to ultimately react or recombine on surfaces. The atomic oxygen that does enter a spacecraft can be scavenged by use of high erosion yield polymers to reduce its reaction on critical surfaces and materials. Polyoxymethylene and polyethylene can be used as effective atomic oxygen scavenging polymers.

  3. Operation of the computer model for microenvironment atomic oxygen exposure

    Science.gov (United States)

    Bourassa, R. J.; Gillis, J. R.; Gruenbaum, P. E.

    1995-01-01

    A computer model for microenvironment atomic oxygen exposure has been developed to extend atomic oxygen modeling capability to include shadowing and reflections. The model uses average exposure conditions established by the direct exposure model and extends the application of these conditions to treat surfaces of arbitrary shape and orientation.

  4. Atomic Oxygen Cleaning of Unpainted Plaster Sculptures

    Science.gov (United States)

    Banks, Bruce A.; Miller, Sharon K.

    2017-01-01

    Atomic oxygen erosion of polymers has been found to be a threat to spacecraft in low Earth orbit. As a result ground facilities have been developed to identify coatings to protect polymers such as used for solar array blankets. As a result of extensive laboratory testing, it was discovered that soot and other organic contamination on paintings could be readily removed by atomic oxygen interactions with minimal damage to the artwork. No method, other than dusting, has been found to be effective in the cleaning of unpainted plaster sculptures This presentation discusses the atomic oxygen interaction processes and how effective they are for cleaning soot damaged unpainted plaster sculptures.

  5. Reactivity of amino acid anions with nitrogen and oxygen atoms.

    Science.gov (United States)

    Wang, Zhe-Chen; Li, Ya-Ke; He, Sheng-Gui; Bierbaum, Veronica M

    2018-02-14

    For many decades, astronomers have searched for biological molecules, including amino acids, in the interstellar medium; this endeavor is important for investigating the hypothesis of the origin of life from space. The space environment is complex and atomic species, such as nitrogen and oxygen atoms, are widely distributed. In this work, the reactions of eight typical deprotonated amino acids (glycine, alanine, cysteine, proline, aspartic acid, histidine, tyrosine, and tryptophan) with ground state nitrogen and oxygen atoms are studied by experiment and theory. These amino acid anions do not react with nitrogen atoms. However, the reactions of these ions with oxygen atoms show an intriguing variety of ionic products and the reaction rate constants are of the order of 10 -10 cm 3 s -1 . Density functional calculations provide detailed mechanisms of the reactions, and demonstrate that spin conversion is essential for some processes. Our study provides important data and insights for understanding the kinetic and dynamic behavior of amino acids in space environments.

  6. Hot oxygen atoms: Their generation and chemistry

    International Nuclear Information System (INIS)

    Ferrieri, R.A.; Chu, Yung Y.; Wolf, A.P.

    1987-01-01

    Oxygen atoms with energies between 1 and 10 eV have been produced through ion beam sputtering from metal oxide targets. Argon ion beams were used on Ta 2 O 5 and V 2 O 5 . Results show that some control may be exerted over the atom's kinetic energy by changing the target. Reactions of the hot O( 3 P) with cis- and trans-butenes were investigated

  7. Monte Carlo Computational Modeling of Atomic Oxygen Interactions

    Science.gov (United States)

    Banks, Bruce A.; Stueber, Thomas J.; Miller, Sharon K.; De Groh, Kim K.

    2017-01-01

    Computational modeling of the erosion of polymers caused by atomic oxygen in low Earth orbit (LEO) is useful for determining areas of concern for spacecraft environment durability. Successful modeling requires that the characteristics of the environment such as atomic oxygen energy distribution, flux, and angular distribution be properly represented in the model. Thus whether the atomic oxygen is arriving normal to or inclined to a surface and whether it arrives in a consistent direction or is sweeping across the surface such as in the case of polymeric solar array blankets is important to determine durability. When atomic oxygen impacts a polymer surface it can react removing a certain volume per incident atom (called the erosion yield), recombine, or be ejected as an active oxygen atom to potentially either react with other polymer atoms or exit into space. Scattered atoms can also have a lower energy as a result of partial or total thermal accommodation. Many solutions to polymer durability in LEO involve protective thin films of metal oxides such as SiO2 to prevent atomic oxygen erosion. Such protective films also have their own interaction characteristics. A Monte Carlo computational model has been developed which takes into account the various types of atomic oxygen arrival and how it reacts with a representative polymer (polyimide Kapton H) and how it reacts at defect sites in an oxide protective coating, such as SiO2 on that polymer. Although this model was initially intended to determine atomic oxygen erosion behavior at defect sites for the International Space Station solar arrays, it has been used to predict atomic oxygen erosion or oxidation behavior on many other spacecraft components including erosion of polymeric joints, durability of solar array blanket box covers, and scattering of atomic oxygen into telescopes and microwave cavities where oxidation of critical component surfaces can take place. The computational model is a two dimensional model

  8. LDEF experiment A0034: Atomic oxygen stimulated outgassing

    Science.gov (United States)

    Linton, Roger C.; Kamenetzky, Rachel R.; Reynolds, John M.; Burris, Charles L.

    1992-01-01

    The passive Long Duration Exposure Facility (LDEF) Experiment A0034, 'Atomic Oxygen Stimulated Outgassing', consisted of two identical one-sixth tray modules, exposing selected thermal control coatings to atomic oxygen and the combined space environment on the leading edge, and for reference, to the relative 'wake' environment of the trailing edge. Optical mirrors were included adjacent to the thermal coatings for deposition of the outgassing products. Ultraviolet grade windows and metal covers were provided for additional assessment of the effects of various environmental factors. Preliminary results indicate that orbital atomic oxygen is both a degrading and optically restorative factor in the thermo-optical properties of selected thermal coatings. There is evidence of more severe optical degradation on collector mirrors adjacent to coatings that were exposed to RAM-impinging atomic oxygen. This evidence of atomic oxygen stimulated outgassing is discussed in relation to alternative factors that could affect degradation. The general effects of the space environment on the experiment hardware as well as the specimens are discussed.

  9. The Interaction between Graphene and Oxygen Atom

    Directory of Open Access Journals (Sweden)

    Hao Yifan

    2016-01-01

    Full Text Available Based on the density function theory (DFT method, the interaction between the graphene and oxygen atom is simulated by the B3LYP functional with the 6-31G basis set. Due to the symmetry of graphene (C54H18, D6h, a representative patch is put forward to represent the whole graphene to simplify the description. The representative patch on the surface is considered to gain the potential energy surface (PES. By the calculation of the PES, four possible stable isomers of the C54H18-O radical can be obtained. Meanwhile, the structures and energies of the four possible stable isomers, are further investigated thermodynamically, kinetically, and chemically. According to the transition states, the possible reaction mechanism between the graphene and oxygen atom is given.

  10. Formation and properties of metal–oxygen atomic chains

    NARCIS (Netherlands)

    Thijssen, W.H.A.; Strange, M.; aan de Brugh, J.M.J.; van Ruitenbeek, J.M.

    2008-01-01

    Suspended chains consisting of single noble metal and oxygen atoms have been formed. We provide evidence that oxygen can react with and be incorporated into metallic one-dimensional atomic chains. Oxygen incorporation reinforces the linear bonds in the chain, which facilitates the creation of longer

  11. A Comprehensive X-Ray Absorption Model for Atomic Oxygen

    Science.gov (United States)

    Gorczyca, T. W.; Bautista, M. A.; Hasoglu, M. F.; Garcia, J.; Gatuzz, E.; Kaastra, J. S.; Kallman, T. R.; Manson, S. T.; Mendoza, C.; Raassen, A. J. J.; hide

    2013-01-01

    An analytical formula is developed to accurately represent the photoabsorption cross section of atomic Oxygen for all energies of interest in X-ray spectral modeling. In the vicinity of the K edge, a Rydberg series expression is used to fit R-matrix results, including important orbital relaxation effects, that accurately predict the absorption oscillator strengths below threshold and merge consistently and continuously to the above-threshold cross section. Further, minor adjustments are made to the threshold energies in order to reliably align the atomic Rydberg resonances after consideration of both experimental and observed line positions. At energies far below or above the K-edge region, the formulation is based on both outer- and inner-shell direct photoionization, including significant shake-up and shake-off processes that result in photoionization-excitation and double-photoionization contributions to the total cross section. The ultimate purpose for developing a definitive model for oxygen absorption is to resolve standing discrepancies between the astronomically observed and laboratory-measured line positions, and between the inferred atomic and molecular oxygen abundances in the interstellar medium from XSTAR and SPEX spectral models.

  12. Kinetics and mechanisms of some atomic oxygen reactions

    Science.gov (United States)

    Cvetanovic, R. J.

    1987-01-01

    Mechanisms and kinetics of some reactions of the ground state of oxygen atoms, O(3P), are briefly summarized. Attention is given to reactions of oxygen atoms with several different types of organic and inorganic compounds such as alkanes, alkenes, alkynes, aromatics, and some oxygen, nitrogen, halogen and sulfur derivatives of these compounds. References to some recent compilations and critical evaluations of reaction rate constants are given.

  13. Formation and properties of metal-oxygen atomic chains

    DEFF Research Database (Denmark)

    Thijssen, W.H.A.; Strange, Mikkel; de Brugh, J.M.J.A.

    2008-01-01

    of longer atomic chains. The mechanical and electrical properties of these diatomic chains have been investigated by determining local vibration modes of the chain and by measuring the dependence of the average chain-conductance on the length of the chain. Additionally, we have performed calculations......Suspended chains consisting of single noble metal and oxygen atoms have been formed. We provide evidence that oxygen can react with and be incorporated into metallic one-dimensional atomic chains. Oxygen incorporation reinforces the linear bonds in the chain, which facilitates the creation...

  14. Introduction to simulation of upper atmosphere oxygen satellite exposed to atomic oxygen in low Earth orbit

    Science.gov (United States)

    Peplinski, D. R.; Arnold, G. S.; Borson, E. N.

    1984-01-01

    A brief review of atmospheric composition in low Earth orbit is presented. The flux of ambient atomic oxygen incident on a surface orbiting in this environment is described. Estimates are presented of the fluence of atomic oxygen to which satellite surfaces in various orbits are exposed.

  15. Proposed reference models for atomic oxygen in the terrestrial atmosphere

    Science.gov (United States)

    Llewellyn, E. J.; Mcdade, I. C.; Lockerbie, M. D.

    1989-01-01

    A provisional Atomic Oxygen Reference model was derived from average monthly ozone profiles and the MSIS-86 reference model atmosphere. The concentrations are presented in tabular form for the altitude range 40 to 130 km.

  16. rf plasma system as an atomic oxygen exposure facility

    International Nuclear Information System (INIS)

    Shpilman, Z.; Gouzman, I.; Lempert, G.; Grossman, E.; Hoffman, A.

    2008-01-01

    The materials of spacecraft external surfaces in low Earth orbit (LEO) are exposed to the various constituents of the space environment, including atomic oxygen (AO) and solar ultra violet (UV) radiation. Material degradation and erosion by LEO are simulated in ground laboratories using a variety of experimental facilities, each with their respective limitations. rf oxygen plasma is a simulation facility widely used for materials screening for LEO application. However, the complex plasma environment, which contains, in addition to the neutral oxygen atoms, excited species, electrons, and ions as well as vacuum ultraviolet (VUV) radiation, might lead to erroneous determination of materials reactivity with respect to LEO. This paper describes the development of a simple, low cost rf plasma system to produce a well-defined AO and VUV environment. The new system constrained the afterglow flow through two right-angle turns. The afterglow was characterized at three specific locations by (i) optical emission spectroscopy for assessment of electronically excited states, (ii) current measurements, and (iii) UV radiation measurements. Kapton registered samples were exposed at the three specific locations in the system and characterized by mass loss for etch rate evaluation, and atomic force microscopy for surface modification. It was found that there is a significant reduction in ionic species, excited species, and UV radiation as the afterglow advances through the right-angle turns. The reduction in charged particle flux is due to recombination within the afterglow as well as neutralization by colliding with the grounded metal chamber walls; similar decrease in UV radiation flux occurs through radiation absorption by the chamber walls. Finally, it is shown that the ground state AO is the dominant reactive specie of the plasma afterglow after passing through the two right-angle turns

  17. Protection of solar array blankets from attack by low earth orbital atomic oxygen

    Science.gov (United States)

    Banks, Bruce A.; Mirtich, Michael J.; Rutledge, Sharon K.; Nahra, Henry K.

    1985-01-01

    The ram impact of low earth orbital atomic oxygen causes oxidation of spacecraft materials including polymers such as polyimides. The rate of oxidation is sufficiently high to potentially compromise the long term durability of Kapton solar array blankets. Ion beam sputter deposited atomic oxygen protective coatings of aluminum oxide, silicon dioxide, and codeposited silicon dioxide with small amounts of polytetrafluoroethylene were evaluated both in RF plasma asher tests and in low earth orbit. Deposition techniques, mechanical properties, and atomic oxygen protection performance are presented.

  18. Angular distribution of photoelectrons from atomic oxygen, nitrogen, and carbon

    Science.gov (United States)

    Manson, S. T.; Kennedy, D. J.; Starace, A. F.; Dill, D.

    1974-01-01

    The angular distribution of photoelectrons from atomic oxygen is investigated using Hartree-Fock (HF) wave functions. The correct formulation is used to compare HS and HF results. Agreement between these results is good and the HS calculations have been extended to atomic nitrogen and carbon as well.

  19. Detection of atomic oxygen in flames by absorption spectroscopy

    International Nuclear Information System (INIS)

    Cheskis, S.; Kovalenko, S.A.

    1994-01-01

    The absolute concentration of atomic oxygen in an atmospheric pressure hydrogen/air flame has been measured using Intracavity Laser Spectroscopy (ICLS) based on a dye laser pumped by an argon-ion laser. Absorptions at the highly forbidden transitions at 630.030 nm and 636.380 nm were observed at an equivalent optical length of up to 10 km. The relatively low intensity of the dye laser avoids photochemical interferences that are inherent to some other methods for detecting atomic oxygen. The detection sensitivity is about 6x10 14 atom/cm 3 and can be improved with better flame and laser stabilization. (orig.)

  20. Simulations of Ground and Space-Based Oxygen Atom Experiments

    Science.gov (United States)

    Minton, T. K.; Cline, J. A.; Braunstein, M.

    2002-01-01

    Fast, pulsed atomic oxygen sources are a key tool in ground-based investigations of spacecraft contamination and surface erosion effects. These technically challenging ground-based studies provide a before and after picture of materials under low-earth-orbit (LEO) conditions. It would be of great interest to track in real time the pulsed flux from the source to the surface sample target and beyond in order to characterize the population of atoms and molecules that actually impact the surface and those that make it downstream to any coincident detectors. We have performed simulations in order to provide such detailed descriptions of these ground-based measurements and to provide an assessment of their correspondence to the actual LEO environment. Where possible we also make comparisons to measured fluxes and erosion yields. To perform the calculations we use a detailed description of a measurement beam and surface geometry based on the W, pulsed apparatus at Montana State University. In this system, a short pulse (on the order of 10 microseconds) of an O/O2 beam impacts a flat sample about 40 cm downstream and slightly displaced &om the beam s central axis. Past this target, at the end of the beam axis is a quadrupole mass spectrometer that measures the relative in situ flux of 0102 to give an overall normalized erosion yield. In our simulations we use the Direct Simulation Monte Carlo (DSMC) method, and track individual atoms within the atomic oxygen pulse. DSMC techniques are typically used to model rarefied (few collision) gas-flows which occur at altitudes above approximately 110 kilometers. These techniques are well suited for the conditions here, and multi-collision effects that can only be treated by this or a similar technique are included. This simulation includes collisions with the surface and among gas atoms that have scattered from the surface. The simulation also includes descriptions of the velocity spread and spatial profiles of the O/O2 beam

  1. Single Photon Double Ionization of Atomic Oxygen

    Science.gov (United States)

    Wickramarathna, Madhushani; Gorczyca, Thomas; Ballance, Connor; Stolte, Wayne

    2017-04-01

    Single photon double ionization cross sections are calculated using an R-matrix with pseudostates (RMPS) method which was recently applied by Gorczyca et al. for the double photoionization of helium. With the convergence of these theoretical calculations for the simple case of helium, we extend this methodology to consider the more complex case of oxygen double photoionization. We compare our calculated results with recent measurements at the Advanced Light Source, as well as earlier experimental measurements. Our RMPS results agree well, qualitatively, with the experimental measurements, but there exist outstanding discrepancies to be addressed. This project is supported by NASA APRA award NNX17AD41G.

  2. Cleaning of Fire Damaged Watercolor and Textiles Using Atomic Oxygen

    Science.gov (United States)

    Rutledge, Sharon K.; Banks, Bruce A.; Chichernea, Virgil A.; Haytas, Christy A.

    2000-01-01

    A noncontact technique is described that uses atomic oxygen generated under low pressure in the presence of nitrogen to remove soot from the surface of a test watercolor panel and strips of cotton, wool and silk. The process, which involves surface oxidation, permits control of the amount of surface material removed. The effectiveness of soot removal from test panels of six basic watercolors (alizarin crimson, burnt sienna, lemon yellow, yellow ochre, cerulean blue and ultramarine blue) and strips of colored cotton, wool and silk was measured using reflectance spectroscopy. The atomic oxygen removed soot effectively from the treated areas and enabled partial recovery of charred watercolors. However, overexposure can result in removal of sizing, bleaching, and weakening of the structure. With the proper precautions, atomic oxygen treatment appears to have great potential to salvage heavily smoke damaged artworks which were previously considered unrestorable.

  3. Atomic Oxygen Erosion Yield Dependence Upon Texture Development in Polymers

    Science.gov (United States)

    Banks, Bruce A.; Loftus, Ryan J.; Miller, Sharon K.

    2016-01-01

    The atomic oxygen erosion yield (volume of a polymer that is lost due to oxidation per incident atom) of polymers is typically assumed to be reasonably constant with increasing fluence. However polymers containing ash or inorganic pigments, tend to have erosion yields that decrease with fluence due to an increasing presence of protective particles on the polymer surface. This paper investigates two additional possible causes for erosion yields of polymers that are dependent upon atomic oxygen. These are the development of surface texture which can cause the erosion yield to change with fluence due to changes in the aspect ratio of the surface texture that develops and polymer specific atomic oxygen interaction parameters. The surface texture development under directed hyperthermal attack produces higher aspect ratio surface texture than isotropic thermal energy atomic oxygen attack. The fluence dependence of erosion yields is documented for low Kapton H (DuPont, Wilmington, DE) effective fluences for a variety of polymers under directed hyperthermal and isotropic thermal energy attack.

  4. Oxygen-free atomic layer deposition of indium sulfide.

    Science.gov (United States)

    McCarthy, Robert F; Weimer, Matthew S; Emery, Jonathan D; Hock, Adam S; Martinson, Alex B F

    2014-08-13

    Atomic layer deposition (ALD) of indium sulfide (In2S3) films was achieved using a newly synthesized indium precursor and hydrogen sulfide. We obtain dense and adherent thin films free from halide and oxygen impurities. Self-limiting half-reactions are demonstrated at temperatures up to 225 °C, where oriented crystalline thin films are obtained without further annealing. Low-temperature growth of 0.89 Å/cycle is observed at 150 °C, while higher growth temperatures gradually reduce the per-cycle growth rate. Rutherford backscattering spectroscopy (RBS) together with depth-profiling Auger electron spectroscopy (AES) reveal a S/In ratio of 1.5 with no detectable carbon, nitrogen, halogen, or oxygen impurities. The resistivity of thin films prior to air exposure decreases with increasing deposition temperature, reaching In2S3 via ALD at temperatures up to 225 °C may allow high quality thin films to be leveraged in optoelectronic devices including photovoltaic absorbers, buffer layers, and intermediate band materials.

  5. Oxygen-Free Atomic Layer Deposition of Indium Sulfide

    Energy Technology Data Exchange (ETDEWEB)

    McCarthy, Robert F.; Weimer, Matthew S.; Emery, Jonathan D.; Hock, Adam S.; Martinson, Alex B. F.

    2014-08-13

    Atomic layer deposition (ALD) of indium sulfide (In2S3) films was achieved using a newly synthesized indium precursor and hydrogen sulfide. We obtain dense and adherent thin films free from halide and oxygen impurities. Self-limiting half-reactions are demonstrated at temperatures up to 200°C, where oriented crystalline thin films are obtained without further annealing. Low temperature growth of 0.89 Å/cycle is observed at 150°C while higher growth temperatures gradually reduce the per-cycle growth rate. Rutherford backscattering spectroscopy (RBS) together with depth-profiling Auger electron spectroscopy (AES) reveal a S/In ratio of 1.5 with no detectable carbon, nitrogen, halogen, or oxygen impurities. The resistivity of thin films prior to air exposure decreases with increasing deposition temperature, reaching <1 ohm-cm for films deposited at 225°C. Hall measurements reveal n-type conductivity due to free electron concentrations up to 1018 cm-3 and mobilities of order 1 cm2/(V*s). The digital synthesis of In2S3 via ALD at temperatures up to 225°C may allow high quality thin films to be leveraged in optoelectronic devices including photovoltaic absorbers, buffer layers, and intermediate band materials.

  6. Laboratory investigations involving high-velocity oxygen atoms

    Science.gov (United States)

    Leger, Lubert J.; Koontz, Steven L.; Visentine, James T.; Cross, Jon B.

    1989-01-01

    Facilities for measuring material reactive characteristics have been under development for several years and span the atom energy range from thermal to 5 eV, the orbital collision energy. One of the high-atom energy facilities (The High Intensity/Energy Atomic Oxygen Source) capable of simulating the reactive part of LEO is described, along with results of beam characterization and preliminary material studies. The oxygen atom beam source was a continuous wave plasma produced by focusing a high-power CO2 laser through a lens system into a rare gas/molecular oxygen mixture chamber at elevated temperature. Material samples were exposed to the high velocity beam through an external feedthrough. The facility showed good stability in continued operation for more than 100 hours, producing fluences of 10 to the 21st to 10 to the 22nd atoms/sq cm. Reaction efficiencies and surface morphology have been measured for several materials at energies of 1.5 and 2.8 eV, matching with data generated from previous space flights. Activation energies for carbon and Kapton as measured in this facility were 800 cal/mole.

  7. High performance platinum single atom electrocatalyst for oxygen reduction reaction

    Science.gov (United States)

    Liu, Jing; Jiao, Menggai; Lu, Lanlu; Barkholtz, Heather M.; Li, Yuping; Wang, Ying; Jiang, Luhua; Wu, Zhijian; Liu, Di-Jia; Zhuang, Lin; Ma, Chao; Zeng, Jie; Zhang, Bingsen; Su, Dangsheng; Song, Ping; Xing, Wei; Xu, Weilin; Wang, Ying; Jiang, Zheng; Sun, Gongquan

    2017-07-01

    For the large-scale sustainable implementation of polymer electrolyte membrane fuel cells in vehicles, high-performance electrocatalysts with low platinum consumption are desirable for use as cathode material during the oxygen reduction reaction in fuel cells. Here we report a carbon black-supported cost-effective, efficient and durable platinum single-atom electrocatalyst with carbon monoxide/methanol tolerance for the cathodic oxygen reduction reaction. The acidic single-cell with such a catalyst as cathode delivers high performance, with power density up to 680 mW cm-2 at 80 °C with a low platinum loading of 0.09 mgPt cm-2, corresponding to a platinum utilization of 0.13 gPt kW-1 in the fuel cell. Good fuel cell durability is also observed. Theoretical calculations reveal that the main effective sites on such platinum single-atom electrocatalysts are single-pyridinic-nitrogen-atom-anchored single-platinum-atom centres, which are tolerant to carbon monoxide/methanol, but highly active for the oxygen reduction reaction.

  8. Quantitative measurements of ground state atomic oxygen in atmospheric pressure surface micro-discharge array

    Science.gov (United States)

    Li, D.; Kong, M. G.; Britun, N.; Snyders, R.; Leys, C.; Nikiforov, A.

    2017-06-01

    The generation of atomic oxygen in an array of surface micro-discharge, working in atmospheric pressure He/O2 or Ar/O2 mixtures, is investigated. The absolute atomic oxygen density and its temporal and spatial dynamics are studied by means of two-photon absorption laser-induced fluorescence. A high density of atomic oxygen is detected in the He/O2 mixture with up to 10% O2 content in the feed gas, whereas the atomic oxygen concentration in the Ar/O2 mixture stays below the detection limit of 1013 cm-3. The measured O density near the electrode under the optimal conditions in He/1.75% O2 gas is 4.26  ×  1015 cm-3. The existence of the ground state O (2p 4 3 P) species has been proven in the discharge at a distance up to 12 mm away from the electrodes. Dissociative reactions of the singlet O2 with O3 and deep vacuum ultraviolet radiation, including the radiation of excimer \\text{He}2\\ast , are proposed to be responsible for O (2p 4 3 P) production in the far afterglow. A capability of the surface micro-discharge array delivering atomic oxygen to long distances over a large area is considered very interesting for various biomedical applications.

  9. Monte Carlo modeling of atomic oxygen attack of polymers with protective coatings on LDEF

    Science.gov (United States)

    Banks, Bruce A.; Degroh, Kim K.; Auer, Bruce M.; Gebauer, Linda; Edwards, Jonathan L.

    1993-01-01

    Characterization of the behavior of atomic oxygen interaction with materials on the Long Duration Exposure Facility (LDEF) assists in understanding of the mechanisms involved. Thus the reliability of predicting in-space durability of materials based on ground laboratory testing should be improved. A computational model which simulates atomic oxygen interaction with protected polymers was developed using Monte Carlo techniques. Through the use of an assumed mechanistic behavior of atomic oxygen interaction based on in-space atomic oxygen erosion of unprotected polymers and ground laboratory atomic oxygen interaction with protected polymers, prediction of atomic oxygen interaction with protected polymers on LDEF was accomplished. However, the results of these predictions are not consistent with the observed LDEF results at defect sites in protected polymers. Improved agreement between observed LDEF results and predicted Monte Carlo modeling can be achieved by modifying of the atomic oxygen interactive assumptions used in the model. LDEF atomic oxygen undercutting results, modeling assumptions, and implications are presented.

  10. FOHI-D: An iterative Hirshfeld procedure including atomic dipoles

    Science.gov (United States)

    Geldof, D.; Krishtal, A.; Blockhuys, F.; Van Alsenoy, C.

    2014-04-01

    In this work, a new partitioning method based on the FOHI method (fractional occupation Hirshfeld-I method) will be discussed. The new FOHI-D method uses an iterative scheme in which both the atomic charge and atomic dipole are calculated self-consistently. In order to induce the dipole moment on the atom, an electric field is applied during the atomic SCF calculations. Based on two sets of molecules, the atomic charge and intrinsic atomic dipole moment of hydrogen and chlorine atoms are compared using the iterative Hirshfeld (HI) method, the iterative Stockholder atoms (ISA) method, the FOHI method, and the FOHI-D method. The results obtained are further analyzed as a function of the group electronegativity of Boyd et al. [J. Am. Chem. Soc. 110, 4182 (1988); Boyd et al., J. Am. Chem. Soc. 114, 1652 (1992)] and De Proft et al. [J. Phys. Chem. 97, 1826 (1993)]. The molecular electrostatic potential (ESP) based on the HI, ISA, FOHI, and FOHI-D charges is compared with the ab initio ESP. Finally, the effect of adding HI, ISA, FOHI, and FOHI-D atomic dipoles to the multipole expansion as a function of the precision of the ESP is analyzed.

  11. FOHI-D: An iterative Hirshfeld procedure including atomic dipoles

    International Nuclear Information System (INIS)

    Geldof, D.; Blockhuys, F.; Van Alsenoy, C.; Krishtal, A.

    2014-01-01

    In this work, a new partitioning method based on the FOHI method (fractional occupation Hirshfeld-I method) will be discussed. The new FOHI-D method uses an iterative scheme in which both the atomic charge and atomic dipole are calculated self-consistently. In order to induce the dipole moment on the atom, an electric field is applied during the atomic SCF calculations. Based on two sets of molecules, the atomic charge and intrinsic atomic dipole moment of hydrogen and chlorine atoms are compared using the iterative Hirshfeld (HI) method, the iterative Stockholder atoms (ISA) method, the FOHI method, and the FOHI-D method. The results obtained are further analyzed as a function of the group electronegativity of Boyd et al. [J. Am. Chem. Soc. 110, 4182 (1988); Boyd et al., J. Am. Chem. Soc. 114, 1652 (1992)] and De Proft et al. [J. Phys. Chem. 97, 1826 (1993)]. The molecular electrostatic potential (ESP) based on the HI, ISA, FOHI, and FOHI-D charges is compared with the ab initio ESP. Finally, the effect of adding HI, ISA, FOHI, and FOHI-D atomic dipoles to the multipole expansion as a function of the precision of the ESP is analyzed

  12. Silicon solar cell performance deposited by diamond like carbon thin film ;Atomic oxygen effects;

    Science.gov (United States)

    Aghaei, Abbas Ail; Eshaghi, Akbar; Karami, Esmaeil

    2017-09-01

    In this research, a diamond-like carbon thin film was deposited on p-type polycrystalline silicon solar cell via plasma-enhanced chemical vapor deposition method by using methane and hydrogen gases. The effect of atomic oxygen on the functioning of silicon coated DLC thin film and silicon was investigated. Raman spectroscopy, field emission scanning electron microscopy, atomic force microscopy and attenuated total reflection-Fourier transform infrared spectroscopy were used to characterize the structure and morphology of the DLC thin film. Photocurrent-voltage characteristics of the silicon solar cell were carried out using a solar simulator. The results showed that atomic oxygen exposure induced the including oxidation, structural changes, cross-linking reactions and bond breaking of the DLC film; thus reducing the optical properties. The photocurrent-voltage characteristics showed that although the properties of the fabricated thin film were decreased after being exposed to destructive rays, when compared with solar cell without any coating, it could protect it in atomic oxygen condition enhancing solar cell efficiency up to 12%. Thus, it can be said that diamond-like carbon thin layer protect the solar cell against atomic oxygen exposure.

  13. Atomic oxygen ions as ionospheric biomarkers on exoplanets

    Science.gov (United States)

    Mendillo, Michael; Withers, Paul; Dalba, Paul A.

    2018-04-01

    The ionized form of atomic oxygen (O+) is the dominant ion species at the altitude of maximum electron density in only one of the many ionospheres in our Solar System — Earth's. This ionospheric composition would not be present if oxygenic photosynthesis was not an ongoing mechanism that continuously impacts the terrestrial atmosphere. We propose that dominance of ionospheric composition by O+ ions at the altitude of maximum electron density can be used to identify a planet in orbit around a solar-type star where global-scale biological activity is present. There is no absolute numerical value required for this suggestion of an atmospheric plasma biomarker — only the dominating presence of O+ ions at the altitude of peak electron density.

  14. Automatic measuring device for atomic oxygen concentrations (1962)

    International Nuclear Information System (INIS)

    Weill, J.; Deiss, M.; Mercier, R.

    1962-01-01

    Within the framework of the activities of the Autonomous Reactor Electronics Section we have developed a device, which renders automatic one type of measurement carried out in the Physical Chemistry Department at the Saclay Research Centre. We define here: - the physico-chemical principle of the apparatus which is adapted to the measurement of atomic oxygen concentrations; - the physical principle of the automatic measurement; - the properties, performance, constitution, use and maintenance of the automatic measurement device. It is concluded that the principle of the automatic device, whose tests have confirmed the estimation of the theoretical performance, could usefully be adapted to other types of measurement. (authors) [fr

  15. K-shell auger decay of atomic oxygen

    Energy Technology Data Exchange (ETDEWEB)

    Stolte, W.C.; Lu, Y.; Samson, J.A.R. [Univ. of Nebraska, Lincoln, NE (United States)] [and others

    1997-04-01

    The aim of the present research is to understand the interaction between the ejected photoelectron and Auger electron produced by the Auger decay of a 1s hole in atomic oxygen, and to understand the influence this interaction has on the shape of the ionization cross sections. To accomplish this the authors have measured the relative ion yields (ion/photon) in the vicinity of the oxygen K-shell (525 - 533 eV) for O{sup +} and O{sup 2+}. The measurements were performed at the ALS on beamline, 6.3.2. The atomic oxygen was produced by passing molecular oxygen through a microwave-driven discharge. A Rydberg analysis of the two series leading to the [1s]2s{sup 2}2p{sup 4}({sup 4}P) and [1s]2s{sup 2}2p{sup 4}({sup 2}P) limits were obtained. This analysis shows some differences to the recently published results by Menzel et al. The energy position of the main 1s{sup 1}2s{sup 2}2p{sup 5}({sup 3}P) resonance differs by approximately 1 eV from the authors value, all members of the ({sup 2}P)np series differ by 0.3 eV, but the members of the ({sup 4}P)np series agree. The molecular resonance at 530.5 eV and those between 539 eV and 543 eV, measured with the microwave discharge off show identical results in both experiments.

  16. MISSE 6 Stressed Polymers Experiment Atomic Oxygen Erosion Data

    Science.gov (United States)

    deGroh, Kim K.; Banks, Bruce A.; Mitchell, Gianna G.; Yi, Grace T.; Guo, Aobo; Ashmeade, Claire C.; Roberts, Lily M.; McCarthy, Catherine E.; Sechkar, Edward A.

    2013-01-01

    Polymers and other oxidizable materials used on the exterior of spacecraft in the low Earth orbit (LEO) space environment can be eroded away by reaction with atomic oxygen (AO). For spacecraft design, it is important to know the LEO AO erosion yield, Ey (volume loss per incident oxygen atom), of materials susceptible to AO erosion. The Stressed Polymers Experiment was developed and flown as part of the Materials International Space Station Experiment 6 (MISSE 6) to compare the AO erosion yields of stressed and non-stressed polymers to determine if erosion is dependent upon stress while in LEO. The experiment contained 36 thin film polymer samples that were exposed to ram AO for 1.45 years. This paper provides an overview of the Stressed Polymers Experiment with details on the polymers flown, the characterization techniques used, the AO fluence, and the erosion yield results. The MISSE 6 data are compared to data for similar samples flown on previous MISSE missions to determine fluence or solar radiation effects on erosion yield.

  17. Atom interaction propensities of oxygenated chemical functions in crystal packings

    Directory of Open Access Journals (Sweden)

    Christian Jelsch

    2017-03-01

    Full Text Available The crystal contacts of several families of hydrocarbon compounds substituted with one or several types of oxygenated chemical groups were analyzed statistically using the Hirshfeld surface methodology. The propensity of contacts to occur between two chemical types is described with the contact enrichment descriptor. The systematic large enrichment ratios of some interactions like the O—H...O hydrogen bonds suggests that these contacts are a driving force in the crystal packing formation. The same statement holds for the weaker C—H...O hydrogen bonds in ethers, esters and ketones, in the absence of polar H atoms. The over-represented contacts in crystals of oxygenated hydrocarbons are generally of two types: electrostatic attractions (hydrogen bonds and hydrophobic interactions. While Cl...O interactions are generally avoided, in a minority of chloro-oxygenated hydrocarbons, significant halogen bonding does occur. General tendencies can often be derived for many contact types, but outlier compounds are instructive as they display peculiar or rare features. The methodology also allows the detection of outliers which can be structures with errors. For instance, a significant number of hydroxylated molecules displaying over-represented non-favorable oxygen–oxygen contacts turned out to have wrongly oriented hydroxyl groups. Beyond crystal packings with a single molecule in the asymmetric unit, the behavior of water in monohydrate compounds and of crystals with Z′ = 2 (dimers are also investigated. It was found in several cases that, in the presence of several oxygenated chemical groups, cross-interactions between different chemical groups (e.g. water/alcohols; alcohols/phenols are often favored in the crystal packings. While some trends in accordance with common chemical principles are retrieved, some unexpected results can however appear. For example, in crystals of alcohol–phenol compounds, the strong O—H...O hydrogen bonds between

  18. Operation of the computer model for direct atomic oxygen exposure of Earth satellites

    Science.gov (United States)

    Bourassa, R. J.; Gruenbaum, P. E.; Gillis, J. R.; Hargraves, C. R.

    1995-01-01

    One of the primary causes of material degradation in low Earth orbit (LEO) is exposure to atomic oxygen. When atomic oxygen molecules collide with an orbiting spacecraft, the relative velocity is 7 to 8 km/sec and the collision energy is 4 to 5 eV per atom. Under these conditions, atomic oxygen may initiate a number of chemical and physical reactions with exposed materials. These reactions contribute to material degradation, surface erosion, and contamination. Interpretation of these effects on materials and the design of space hardware to withstand on-orbit conditions requires quantitative knowledge of the atomic oxygen exposure environment. Atomic oxygen flux is a function of orbit altitude, the orientation of the orbit plan to the Sun, solar and geomagnetic activity, and the angle between exposed surfaces and the spacecraft heading. We have developed a computer model to predict the atomic oxygen exposure of spacecraft in low Earth orbit. The application of this computer model is discussed.

  19. The photospheric solar oxygen project. I. Abundance analysis of atomic lines and influence of atmospheric models

    Science.gov (United States)

    Caffau, E.; Ludwig, H.-G.; Steffen, M.; Ayres, T. R.; Bonifacio, P.; Cayrel, R.; Freytag, B.; Plez, B.

    2008-09-01

    Context: The solar oxygen abundance has undergone a major downward revision in the past decade, the most noticeable one being the update including 3D hydrodynamical simulations to model the solar photosphere. Up to now, such an analysis has only been carried out by one group using one radiation-hydrodynamics code. Aims: We investigate the photospheric oxygen abundance considering lines from atomic transitions. We also consider the relationship between the solar model used and the resulting solar oxygen abundance, to understand whether the downward abundance revision is specifically related to 3D hydrodynamical effects. Methods: We performed a new determination of the solar photospheric oxygen abundance by analysing different high-resolution high signal-to-noise ratio atlases of the solar flux and disc-centre intensity, making use of the latest generation of CO5BOLD 3D solar model atmospheres. Results: We find 8.73 ≤ log (N_O/N_H) +12 ≤ 8.79. The lower and upper values represent extreme assumptions on the role of collisional excitation and ionisation by neutral hydrogen for the NLTE level populations of neutral oxygen. The error of our analysis is ± (0.04± 0.03) dex, the last being related to NLTE corrections, the first error to any other effect. The 3D “granulation effects” do not play a decisive role in lowering the oxygen abundance. Conclusions: Our recommended value is log (N_O/N_H) = 8.76 ± 0.07, considering our present ignorance of the role of collisions with hydrogen atoms on the NLTE level populations of oxygen. The reasons for lower O abundances in the past are identified as (1) the lower equivalent widths adopted and (2) the choice of neglecting collisions with hydrogen atoms in the statistical equilibrium calculations for oxygen. This paper is dedicated to the memory of Hartmut Holweger.

  20. Materials International Space Station Experiment-6 (MISSE-6) Atomic Oxygen Fluence Monitor Experiment

    Science.gov (United States)

    Banks, Bruce A.; Miller, Sharon K.; Waters, Deborah L.

    2010-01-01

    An atomic oxygen fluence monitor was flown as part of the Materials International Space Station Experiment-6 (MISSE-6). The monitor was designed to measure the accumulation of atomic oxygen fluence with time as it impinged upon the ram surface of the MISSE 6B Passive Experiment Container (PEC). This was an active experiment for which data was to be stored on a battery-powered data logger for post-flight retrieval and analysis. The atomic oxygen fluence measurement was accomplished by allowing atomic oxygen to erode two opposing wedges of pyrolytic graphite that partially covered a photodiode. As the wedges of pyrolytic graphite erode, the area of the photodiode that is illuminated by the Sun increases. The short circuit current, which is proportional to the area of illumination, was to be measured and recorded as a function of time. The short circuit current from a different photodiode, which was oriented in the same direction and had an unobstructed view of the Sun, was also to be recorded as a reference current. The ratio of the two separate recorded currents should bear a linear relationship with the accumulated atomic oxygen fluence and be independent of the intensity of solar illumination. Ground hyperthermal atomic oxygen exposure facilities were used to evaluate the linearity of the ratio of short circuit current to the atomic oxygen fluence. In flight, the current measurement circuitry failed to operate properly, thus the overall atomic oxygen mission fluence could only be estimated based on the physical erosion of the pyrolytic graphite wedges. The atomic oxygen fluence was calculated based on the knowledge of the space atomic oxygen erosion yield of pyrolytic graphite measured from samples on the MISSE 2. The atomic oxygen fluence monitor, the expected result and comparison of mission atomic oxygen fluence based on the erosion of the pyrolytic graphite and Kapton H atomic oxygen fluence witness samples are presented in this paper.

  1. Erosion of Carbon-based spacecraft structures in LEO by Atomic Oxygen

    DEFF Research Database (Denmark)

    Jørgensen, John Leif

    1998-01-01

    Atomic oxygen is constantly generated on the topside of the atmosphere by ionizing radiation. The ionizing solar radiation, UV and particles, will on impact dissociate molecular oxygen to atomic oxygen. However, due to the ratio between the UV and the particle flux from the sun, and due to compar...

  2. Reaction and Protection of Electrical Wire Insulators in Atomic-oxygen Environments

    Science.gov (United States)

    Hung, Ching-Cheh; Cantrell, Gidget

    1994-01-01

    Atomic-oxygen erosion on spacecraft in low Earth orbit is an issue which is becoming increasingly important because of the growing number of spacecraft that will fly in the orbits which have high concentrations of atomic oxygen. In this investigation, the atomic-oxygen durability of three types of electrical wire insulation (carbon-based, fluoropolymer, and polysiloxane elastomer) were evaluated. These insulation materials were exposed to thermal-energy atomic oxygen, which was obtained by RF excitation of air at a pressure of 11-20 Pa. The effects of atomic-oxygen exposure on insulation materials indicate that all carbon-based materials erode at about the same rate as polyamide Kapton and, therefore, are not atomic-oxygen durable. However, the durability of fluoropolymers needs to be evaluated on a case by case basis because the erosion rates of fluoropolymers vary widely. For example, experimental data suggest the formation of atomic fluorine during atomic-oxygen amorphous-fluorocarbon reactions. Dimethyl polysiloxanes (silicone) do not lose mass during atomic-oxygen exposure, but develop silica surfaces which are under tension and frequently crack as a result of loss of methyl groups. However, if the silicone sample surfaces were properly pretreated to provide a certain roughness, atomic oxygen exposure resulted in a sturdy, non-cracked atomic-oxygen durable SiO2 layer. Since the surface does not crack during such silicone-atomic oxygen reaction, the crack-induced contamination by silicone can be reduced or completely stopped. Therefore, with proper pretreatment, silicone can be either a wire insulation material or a coating on wire insulation materials to provide atomic-oxygen durability.

  3. Perhydropolysilazane derived silica coating protecting Kapton from atomic oxygen attack

    International Nuclear Information System (INIS)

    Hu Longfei; Li Meishuan; Xu Caihong; Luo Yongming

    2011-01-01

    By using surface sol–gel method with perhydropolysilazane (PHPS) as a precursor, a silica coating was prepared on a Kapton substrate as an atomic oxygen (AO) protective coating. The AO exposure tests were conducted in a ground-based simulator. It is found that the erosion yield of Kapton decreases by about three orders of magnitude after the superficial application of the coating. After AO exposure, the surface of the coating is smooth and uniform, no surface shrinkage induced cracks or undercutting erosion are observed. This is because that during AO exposure the PHPS is oxidized directly to form SiO 2 without through intermediate reaction processes, the surface shrinkage and cracking tendency are prohibited. Meanwhile, this PHPS derived silica coating also presents self-healing effect due to the oxidation of free Si. Compared with other kinds of silica or organic polymer coatings, this PHPS derived silica coating exhibits a superior AO erosion resistance.

  4. In-space technology development: Atomic oxygen and orbital debris effects

    Science.gov (United States)

    Visentine, James T.; Potter, Andrew E., Jr.

    1989-01-01

    Earlier Shuttle flight experiments have shown atomic oxygen within the orbital environment can interact with many materials to produce surface recession and mass loss and combine catalytically with other constituents to generate visible and infrared glows. In addition to these effects, examinations of returned satellite hardware have shown many spacecraft materials are also susceptible to damage from high velocity impacts with orbital space debris. These effects are of particular concern for large, multi-mission spacecraft, such as Space Station and SDI operational satellites, that will operate in low-Earth orbit (LEO) during the late 1990's. Not only must these spacecraft include materials and exterior coatings that are resistant to atomic oxygen surface interactions, but these materials must also provide adequate protection against erosion and pitting that could result from numerous impacts with small particles (less than 100 microns) of orbital space debris. An overview of these concerns is presented, and activities now underway to develop materials and coatings are outlined that will provide adequate atomic protection for future spacecraft. The report also discusses atomic oxygen and orbital debris flight experiments now under development to expand our limited data base, correlate ground-based measurments with flight results, and develop an orbital debris collision warning system for use by future spacecraft.

  5. Effects of atomic oxygen on titanium dioxide thin film

    Science.gov (United States)

    Shimosako, Naoki; Hara, Yukihiro; Shimazaki, Kazunori; Miyazaki, Eiji; Sakama, Hiroshi

    2018-05-01

    In low earth orbit (LEO), atomic oxygen (AO) has shown to cause degradation of organic materials used in spacecrafts. Similar to other metal oxides such as SiO2, Al2O3 and ITO, TiO2 has potential to protect organic materials. In this study, the anatese-type TiO2 thin films were fabricated by a sol-gel method and irradiated with AO. The properties of TiO2 were compared using mass change, scanning electron microscope (SEM), atomic force microscope (AFM), X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), transmittance spectra and photocatalytic activity before and after AO irradiation. The results indicate that TiO2 film was hardly eroded and resistant against AO degradation. AO was shown to affects only the surface of a TiO2 film and not the bulk. Upon AO irradiation, the TiO2 films were slightly oxidized. However, these changes were very small. Photocatalytic activity of TiO2 was still maintained in spite of slight decrease upon AO irradiation, which demonstrated that TiO2 thin films are promising for elimination of contaminations outgassed from a spacecraft's materials.

  6. Thermal relaxation of molecular oxygen in collisions with nitrogen atoms

    Energy Technology Data Exchange (ETDEWEB)

    Andrienko, Daniil A., E-mail: daniila@umich.edu; Boyd, Iain D. [Department of Aerospace Engineering, University of Michigan, 1320 Beal Ave., Ann Arbor, Michigan 48108 (United States)

    2016-07-07

    Investigation of O{sub 2}–N collisions is performed by means of the quasi-classical trajectory method on the two lowest ab initio potential energy surfaces at temperatures relevant to hypersonic flows. A complete set of bound–bound and bound–free transition rates is obtained for each precollisional rovibrational state. Special attention is paid to the vibrational and rotational relaxations of oxygen as a result of chemically non-reactive interaction with nitrogen atoms. The vibrational relaxation of oxygen partially occurs via the formation of an intermediate NO{sub 2} complex. The efficient energy randomization results in rapid vibrational relaxation at low temperatures, compared to other molecular systems with a purely repulsive potential. The vibrational relaxation time, computed by means of master equation studies, is nearly an order of magnitude lower than the relaxation time in N{sub 2}–O collisions. The rotational nonequilibrium starts to play a significant effect at translational temperatures above 8000 K. The present work provides convenient relations for the vibrational and rotational relaxation times as well as for the quasi-steady dissociation rate coefficient and thus fills a gap in data due to a lack of experimental measurements for this system.

  7. Thermal relaxation of molecular oxygen in collisions with nitrogen atoms.

    Science.gov (United States)

    Andrienko, Daniil A; Boyd, Iain D

    2016-07-07

    Investigation of O2-N collisions is performed by means of the quasi-classical trajectory method on the two lowest ab initio potential energy surfaces at temperatures relevant to hypersonic flows. A complete set of bound-bound and bound-free transition rates is obtained for each precollisional rovibrational state. Special attention is paid to the vibrational and rotational relaxations of oxygen as a result of chemically non-reactive interaction with nitrogen atoms. The vibrational relaxation of oxygen partially occurs via the formation of an intermediate NO2 complex. The efficient energy randomization results in rapid vibrational relaxation at low temperatures, compared to other molecular systems with a purely repulsive potential. The vibrational relaxation time, computed by means of master equation studies, is nearly an order of magnitude lower than the relaxation time in N2-O collisions. The rotational nonequilibrium starts to play a significant effect at translational temperatures above 8000 K. The present work provides convenient relations for the vibrational and rotational relaxation times as well as for the quasi-steady dissociation rate coefficient and thus fills a gap in data due to a lack of experimental measurements for this system.

  8. Density functional theory study the effects of oxygen-containing functional groups on oxygen molecules and oxygen atoms adsorbed on carbonaceous materials.

    Science.gov (United States)

    Qi, Xuejun; Song, Wenwu; Shi, Jianwei

    2017-01-01

    Density functional theory was used to study the effects of different types of oxygen-containing functional groups on the adsorption of oxygen molecules and single active oxygen atoms on carbonaceous materials. During gasification or combustion reactions of carbonaceous materials, oxygen-containing functional groups such as hydroxyl(-OH), carbonyl(-CO), quinone(-O), and carboxyl(-COOH) are often present on the edge of graphite and can affect graphite's chemical properties. When oxygen-containing functional groups appear on a graphite surface, the oxygen molecules are strongly adsorbed onto the surface to form a four-member ring structure. At the same time, the O-O bond is greatly weakened and easily broken. The adsorption energy value indicates that the adsorption of oxygen molecules changes from physisorption to chemisorption for oxygen-containing functional groups on the edge of a graphite surface. In addition, our results indicate that the adsorption energy depends on the type of oxygen-containing functional group. When a single active oxygen atom is adsorbed on the bridge site of graphite, it gives rise to a stable epoxy structure. Epoxy can cause deformation of the graphite lattice due to the transition of graphite from sp2 to sp3 after the addition of an oxygen atom. For quinone group on the edge of graphite, oxygen atoms react with carbon atoms to form the precursor of CO2. Similarly, the single active oxygen atoms of carbonyl groups can interact with edge carbon atoms to form the precursor of CO2. The results show that oxygen-containing functional groups on graphite surfaces enhance the activity of graphite, which promotes adsorption on the graphite surface.

  9. Effects of atomic oxygen irradiation on the surface properties of phenolphthalein poly(ether sulfone)

    International Nuclear Information System (INIS)

    Pei Xianqiang; Li Yan; Wang Qihua; Sun Xiaojun

    2009-01-01

    To study the effects of low earth orbit environment on the surface properties of polymers, phenolphthalein poly(ether sulfone) (PES-C) blocks were irradiated by atomic oxygen in a ground-based simulation system. The surface properties of the pristine and irradiated blocks were studied by attenuated total-reflection FTIR (FTIR-ATR), X-ray photoelectron spectroscopy (XPS), scanning electron microscope (SEM). It was found that atomic oxygen irradiation induced the destruction of PES-C molecular chains, including the scission and oxidation of PES-C molecular chains, as evidenced by FTIR and XPS results. The scission of PES-C molecular chains decreased the relative concentration of C in the surface, while the oxidation increased the relative concentration of O in the surface. The changes in surface chemical structure and composition also changed the surface morphology of the block, which shifted from smooth structure before irradiation to 'carpet-like' structure after irradiation

  10. Effects of atomic oxygen irradiation on the surface properties of phenolphthalein poly(ether sulfone)

    Energy Technology Data Exchange (ETDEWEB)

    Pei Xianqiang [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, No. 18, Tianshui Middle Road, Lanzhou 730000 (China); Li Yan [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, No. 18, Tianshui Middle Road, Lanzhou 730000 (China); Graduate school of the Chinese Academy of Sciences, Beijing 100039 (China); Wang Qihua [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, No. 18, Tianshui Middle Road, Lanzhou 730000 (China)], E-mail: Wangqh@lzb.ac.cn; Sun Xiaojun [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, No. 18, Tianshui Middle Road, Lanzhou 730000 (China)

    2009-03-15

    To study the effects of low earth orbit environment on the surface properties of polymers, phenolphthalein poly(ether sulfone) (PES-C) blocks were irradiated by atomic oxygen in a ground-based simulation system. The surface properties of the pristine and irradiated blocks were studied by attenuated total-reflection FTIR (FTIR-ATR), X-ray photoelectron spectroscopy (XPS), scanning electron microscope (SEM). It was found that atomic oxygen irradiation induced the destruction of PES-C molecular chains, including the scission and oxidation of PES-C molecular chains, as evidenced by FTIR and XPS results. The scission of PES-C molecular chains decreased the relative concentration of C in the surface, while the oxidation increased the relative concentration of O in the surface. The changes in surface chemical structure and composition also changed the surface morphology of the block, which shifted from smooth structure before irradiation to 'carpet-like' structure after irradiation.

  11. Effects of atomic oxygen irradiation on the surface properties of phenolphthalein poly(ether sulfone)

    Science.gov (United States)

    Pei, Xianqiang; Li, Yan; Wang, Qihua; Sun, Xiaojun

    2009-03-01

    To study the effects of low earth orbit environment on the surface properties of polymers, phenolphthalein poly(ether sulfone) (PES-C) blocks were irradiated by atomic oxygen in a ground-based simulation system. The surface properties of the pristine and irradiated blocks were studied by attenuated total-reflection FTIR (FTIR-ATR), X-ray photoelectron spectroscopy (XPS), scanning electron microscope (SEM). It was found that atomic oxygen irradiation induced the destruction of PES-C molecular chains, including the scission and oxidation of PES-C molecular chains, as evidenced by FTIR and XPS results. The scission of PES-C molecular chains decreased the relative concentration of C in the surface, while the oxidation increased the relative concentration of O in the surface. The changes in surface chemical structure and composition also changed the surface morphology of the block, which shifted from smooth structure before irradiation to "carpet-like" structure after irradiation.

  12. A fast atomic oxygen beam facility with in situ testing/analysis capabilities

    Science.gov (United States)

    Kinoshita, H.; Ikeda, J.; Tagawa, M.; Umeno, M.; Ohmae, N.

    1998-06-01

    A fast atomic oxygen beam facility consisting of a beam source, a mass spectrometer, an Auger electron spectroscope, a scanning tunneling microscope, and a friction tester has been developed to investigate interaction of energetic atomic oxygen with solid surfaces. The fast atomic oxygen beam has been characterized by time of flight distribution, quadrupole mass spectrometry, and quartz crystal microbalance. The time of flight distribution of the beam has shown that the average translational energy of the atomic oxygen beam reaches 4.7 eV and that the full width at half-maximum is 5.5 eV. A flux of the atomic oxygen is calculated from the frequency shift of the quartz crystal microbalance with silver electrodes, and typical flux of the atomic oxygen beam being 4.0×1012atoms/cm2 s. The flux of atomic oxygen of this source is fairly low, but is corresponding to that in the altitude of 500 km in low Earth orbit. The surface sensitive analysis methods equipped with the facility, such as Auger electron spectroscopy and scanning tunneling microscopy, have provided changes in the surface composition and morphology caused by the atomic oxygen exposure, without receiving any effect of ambient air. The ultrahigh vacuum friction tester especially designed for this facility is used to measure tribological properties of solid lubricants under the atomic oxygen exposures. Such in situ testing capability of this facility enables fundamental research for understanding the reaction scheme of atomic oxygen as well as engineering-oriented research for obtaining high reliability of the space systems.

  13. Global atmospheric model for mercury including oxidation by bromine atoms

    Directory of Open Access Journals (Sweden)

    C. D. Holmes

    2010-12-01

    Full Text Available Global models of atmospheric mercury generally assume that gas-phase OH and ozone are the main oxidants converting Hg0 to HgII and thus driving mercury deposition to ecosystems. However, thermodynamic considerations argue against the importance of these reactions. We demonstrate here the viability of atomic bromine (Br as an alternative Hg0 oxidant. We conduct a global 3-D simulation with the GEOS-Chem model assuming gas-phase Br to be the sole Hg0 oxidant (Hg + Br model and compare to the previous version of the model with OH and ozone as the sole oxidants (Hg + OH/O3 model. We specify global 3-D Br concentration fields based on our best understanding of tropospheric and stratospheric Br chemistry. In both the Hg + Br and Hg + OH/O3 models, we add an aqueous photochemical reduction of HgII in cloud to impose a tropospheric lifetime for mercury of 6.5 months against deposition, as needed to reconcile observed total gaseous mercury (TGM concentrations with current estimates of anthropogenic emissions. This added reduction would not be necessary in the Hg + Br model if we adjusted the Br oxidation kinetics downward within their range of uncertainty. We find that the Hg + Br and Hg + OH/O3 models are equally capable of reproducing the spatial distribution of TGM and its seasonal cycle at northern mid-latitudes. The Hg + Br model shows a steeper decline of TGM concentrations from the tropics to southern mid-latitudes. Only the Hg + Br model can reproduce the springtime depletion and summer rebound of TGM observed at polar sites; the snowpack component of GEOS-Chem suggests that 40% of HgII deposited to snow in the Arctic is transferred to the ocean and land reservoirs, amounting to a net deposition flux to the Arctic of 60 Mg a−1. Summertime events of depleted Hg0 at Antarctic sites due to subsidence are much better simulated by

  14. The generation and detection of high flux atomic oxygen for physical vapor deposition thin film growth

    NARCIS (Netherlands)

    Ingle, N.J.C.; Hammond, R.H.; Beasley, M.R.; Blank, David H.A.

    1999-01-01

    The growth of many epitaxial thin-film oxides is significantly enhanced with the use of an oxidizing agent such as atomic oxygen, ozone, or NO2. We developed a flow-through microwave plasma source to generate large atomic oxygen fluxes while maintaining vacuum pressures of less that 1×10¿4 Torr.

  15. Hydroxyl molecule vibrational state deactivation with atomic and molecular oxygen in meso-pause region

    International Nuclear Information System (INIS)

    Perminov, V.I.; Semenov, A.I.; Shefov, N.N.

    1998-01-01

    Velocities of multi-quanta vibrational relaxation of hydroxyl excited molecules by collisions with oxygen atoms and molecules are determined. High-altitude distributions of concentrations of atomic oxygen and OH excited molecules, as well as photochemical processes of the OH molecule excitation in the meso-pause area were used for this purpose. Dependences of deactivation velocities for various vibrational levels are presented

  16. Materials selection for long life in low earth orbit - A critical evaluation of atomic oxygen testing with thermal atom systems

    Science.gov (United States)

    Koontz, S. L.; Albyn, K.; Leger, L.

    1990-01-01

    The use of thermal atom test methods as a materials selection and screening technique for low-earth orbit (LEO) spacecraft is critically evaluated. The chemistry and physics of thermal atom environments are compared with the LEO environment. The relative reactivities of a number of materials determined in thermal atom environments are compared with those observed in LEO and in high-quality LEO simulations. Reaction efficiencies (cu cm/atom) measured in a new type of thermal atom apparatus are one-thousandth to one ten-thousandth those observed in LEO, and many materials showing nearly identical reactivities in LEO show relative reactivities differing by as much as a factor of eight in thermal atom systems. A simple phenomenological kinetic model for the reaction of oxygen atoms with organic materials can be used to explain the differences in reactivity in different environments. Certain speciic thermal atom test environments can be used as reliable materials screening tools.

  17. A Spaceflight Experiment to Determine the Effect of Chamfered Sample Holders on Atomic Oxygen Erosion

    Science.gov (United States)

    Girish, Kshama; Banks, Bruce A.; De Groh, Kim K.

    2017-01-01

    The exteriors of low Earth orbit (LEO) spacecraft are subjected to many environmental threats that can cause the surface materials to degrade. One of these threats is atomic oxygen (AO), which is formed by photo dissociation of molecular oxygen by energetic UV radiation. Atomic oxygen exposure can result in oxidative erosion of polymers leading to structural or thermal failure of spacecraft components. The amount of AO erosion expected during a mission can be calculated by knowing the AO erosion yield (Ey, volume loss per incident atom) of the material and the AO fluence expected for the mission. The Ey can be determined through dehydrated mass loss measurements of test samples if one knows the AO fluence, density, and exposure area. Such measurements have been made as part of flight experiments, including the Materials International Space Station Experiment 2 (MISSE 2) Polymers Experiment. The MISSE 2 Polymers Experiment sample holders had chamfered circular apertures that controlled the exposure area, but also allowed some additional AO to scatter from the chamfered edges onto the samples thus causing some samples to erode thru and peel at their perimeter due to this scattering effect. By modeling the scattered AO flux one can predict the actual total AO fluence, and hence more accurate sample Ey. Sample holders with different chamfered-perimeter to exposed-area ratios have been designed for future spaceflight experiments that allow a more accurate determination of the Ey for large area polymers, representative of their use on spacecraft surfaces.

  18. Atomic Oxygen Erosion Yield Prediction for Spacecraft Polymers in Low Earth Orbit

    Science.gov (United States)

    Banks, Bruce A.; Backus, Jane A.; Manno, Michael V.; Waters, Deborah L.; Cameron, Kevin C.; deGroh, Kim K.

    2009-01-01

    The ability to predict the atomic oxygen erosion yield of polymers based on their chemistry and physical properties has been only partially successful because of a lack of reliable low Earth orbit (LEO) erosion yield data. Unfortunately, many of the early experiments did not utilize dehydrated mass loss measurements for erosion yield determination, and the resulting mass loss due to atomic oxygen exposure may have been compromised because samples were often not in consistent states of dehydration during the pre-flight and post-flight mass measurements. This is a particular problem for short duration mission exposures or low erosion yield materials. However, as a result of the retrieval of the Polymer Erosion and Contamination Experiment (PEACE) flown as part of the Materials International Space Station Experiment 2 (MISSE 2), the erosion yields of 38 polymers and pyrolytic graphite were accurately measured. The experiment was exposed to the LEO environment for 3.95 years from August 16, 2001 to July 30, 2005 and was successfully retrieved during a space walk on July 30, 2005 during Discovery s STS-114 Return to Flight mission. The 40 different materials tested (including Kapton H fluence witness samples) were selected specifically to represent a variety of polymers used in space as well as a wide variety of polymer chemical structures. The MISSE 2 PEACE Polymers experiment used carefully dehydrated mass measurements, as well as accurate density measurements to obtain accurate erosion yield data for high-fluence (8.43 1021 atoms/sq cm). The resulting data was used to develop an erosion yield predictive tool with a correlation coefficient of 0.895 and uncertainty of +/-6.3 10(exp -25)cu cm/atom. The predictive tool utilizes the chemical structures and physical properties of polymers to predict in-space atomic oxygen erosion yields. A predictive tool concept (September 2009 version) is presented which represents an improvement over an earlier (December 2008) version.

  19. Model of spacecraft atomic oxygen and solar exposure microenvironments

    Science.gov (United States)

    Bourassa, R. J.; Pippin, H. G.

    1993-01-01

    Computer models of environmental conditions in Earth orbit are needed for the following reasons: (1) derivation of material performance parameters from orbital test data, (2) evaluation of spacecraft hardware designs, (3) prediction of material service life, and (4) scheduling spacecraft maintenance. To meet these needs, Boeing has developed programs for modeling atomic oxygen (AO) and solar radiation exposures. The model allows determination of AO and solar ultraviolet (UV) radiation exposures for spacecraft surfaces (1) in arbitrary orientations with respect to the direction of spacecraft motion, (2) overall ranges of solar conditions, and (3) for any mission duration. The models have been successfully applied to prediction of experiment environments on the Long Duration Exposure Facility (LDEF) and for analysis of selected hardware designs for deployment on other spacecraft. The work on these models has been reported at previous LDEF conferences. Since publication of these reports, a revision has been made to the AO calculation for LDEF, and further work has been done on the microenvironments model for solar exposure.

  20. UV Observations of Atomic Oxygen in the Cusp Region

    Science.gov (United States)

    Fritz, B.; Lessard, M.; Dymond, K.; Kenward, D. R.; Lynch, K. A.; Clemmons, J. H.; Hecht, J. H.; Hysell, D. L.; Crowley, G.

    2017-12-01

    The Rocket Experiment for Neutral Upwelling (RENU) 2 launched into the dayside cusp on 13 December, 2015. The sounding rocket payload carried a comprehensive suite of particle, field, and remote sensing instruments to characterize the thermosphere in a region where pockets of enhanced neutral density have been detected [Lühr et al, 2004]. An ultraviolet photomultiplier tube (UV PMT) was oriented to look along the magnetic field line and remotely detect neutral atomic oxygen (OI) above the payload. The UV PMT measured a clear enhancement as the payload descended through a poleward moving auroral form, an indicator of structure in both altitude and latitude. Context for the UV PMT measurement is provided by the Special Sensor Ultraviolet Imager (SSULI) instrument on the Defense Meteorological Space Program (DMSP) satellite, which also measured OI as it passed through the cusp. UV tomography of SSULI observations produces a two-dimensional cross-section of volumetric emission rates in the high-latitude thermosphere prior to the RENU 2 flight. The volume emission rate may then be inverted to produce a profile of neutral density in the thermosphere. A similar technique is used to interpret the UV PMT measurement and determine structure in the thermosphere as RENU 2 descended through the cusp.

  1. Technologies for protection of the Space Station power system surfaces in atomic oxygen environment

    Science.gov (United States)

    Nahra, Henry K.; Rutledge, Sharon K.

    1988-01-01

    Technologies for protecting Space Station surfaces from degradation caused by atomic oxygen are discussed, stressing protection of the power system surfaces. The Space Station power system is described and research concerning the solar array surfaces and radiator surfaces is examined. The possibility of coating the solar array sufaces with a sputter deposited thin film of silicon oxide containing small concentrations of polytetrafluoroethylene is presented. Hexamethyldisiloxane coating for these surfaces is also considered. For the radiator surfaces, possible coatings include silver teflon thermal coating and zinc orthotitanate.

  2. Vibrational Relaxation of Ground-State Oxygen Molecules With Atomic Oxygen and Carbon Dioxide

    Science.gov (United States)

    Saran, D. V.; Pejakovic, D. A.; Copeland, R. A.

    2008-12-01

    Vertical water vapor profiles are key to understanding the composition and energy budget in the mesosphere and lower thermosphere (MLT). The SABER instrument onboard NASA's TIMED satellite measures such profiles by detecting H2O(ν2) emission in the 6.8 μm region. Collisional deactivation of vibrationally excited O2, O2(X3Σ-g, υ = 1) + H2O ↔ O2(X3Σ-g, υ = 0) + H2O(ν2), is an important source of H2O(ν2). A recent study has identified two other processes involving excited O2 that control H2O(ν2) population in the MLT: (1) the vibrational-translational (V-T) relaxation of O2(X3Σ-g, υ = 1) level by atomic oxygen and (2) the V-V exchange between CO2 and excited O2 molecules [1]. Over the past few years SRI researchers have measured the atomic oxygen removal process mentioned above at room temperature [2] and 240 K [3]. These measurements have been incorporated into the models for H2O(ν2) emission [1]. Here we report laboratory studies of the collisional removal of O2(X3Σ-g, υ = 1) by O(3P) at room temperature and below, reaching temperatures relevant to mesopause and polar summer MLT (~150 K). Instead of directly detecting the O2(X3Σ-g, υ = 1) population, a technically simpler approach is used in which the υ = 1 level of the O2(a1Δg) state is monitored. A two-laser method is employed, in which the pulsed output of the first laser near 285 nm photodissociates ozone to produce atomic oxygen and O2(a1Δg, υ = 1), and the pulsed output of the second laser detects O2(a1Δg, υ = 1) via resonance-enhanced multiphoton ionization. With ground-state O2 present, owing to the rapid equilibration of the O2(X3Σ-g, υ = 1) and O2(a1Δg, υ = 1) populations via the processes O2(a1Δg, υ = 1) + O2(X3Σ-g, υ = 0) ↔ O2(a1Δg, υ = 0) + O2(X3Σ-g, υ = 1), the information on the O2(X3Σ-g, υ = 1) kinetics is extracted from the O2(a1Δg, υ = 1) temporal evolution. In addition, measurements of the removal of O2(X3Σ-g, υ = 1) by CO2 at room temperature will also

  3. Absolute rate parameters for the reaction of ground state atomic oxygen with dimethyl sulfide and episulfide

    Science.gov (United States)

    Lee, J. H.; Timmons, R. B.; Stief, L. J.

    1976-01-01

    It is pointed out that the investigated reaction of oxygen with dimethyl sulfide may play an important role in photochemical smog formation and in the chemical evolution of dense interstellar clouds. Kinetic data were obtained with the aid of the flash photolysis-resonance fluorescence method. The photodecomposition of molecular oxygen provided the oxygen atoms for the experiments. The decay of atomic oxygen was studied on the basis of resonance fluorescence observations. Both reactions investigated were found to be fast processes. A negative temperature dependence of the rate constants for reactions with dimethyl sulfide was observed.

  4. Inactivation of Bacillus atrophaeus and of Aspergillus niger using beams of argon ions, of oxygen molecules and of oxygen atoms

    Energy Technology Data Exchange (ETDEWEB)

    Raballand, V; Benedikt, J; Keudell, A von [Research Group Reactive Plasmas, Ruhr-Universitaet Bochum, 44780 Bochum (Germany); Wunderlich, J [Fraunhofer Institut for Process Engineering and Packaging, Giggenhauser Strasse 35, 85354 Freising (Germany)], E-mail: Achim.vonKeudell@rub.de

    2008-06-07

    The inactivation of spores of Bacillus atrophaeus and of Aspergillus niger using beams of argon ions, of oxygen molecules and of oxygen atoms is studied. Thereby, the conditions occurring in oxygen containing low pressure plasmas are mimicked and fundamental inactivation mechanisms can be revealed. It is shown that the impact of O atoms has no effect on the viability of the spores and that no etching of the spore coat occurs up to an O atom fluence of 3.5 x 10{sup 19} cm{sup -2}. The impact of argon ions with an energy of 200 eV does not cause significant erosion for fluences up to 1.15 x 10{sup 18} cm{sup -2}. However, the combined impact of argon ions and oxygen molecules or atoms causes significant etching of the spores and significant inactivation. This is explained by the process of chemical sputtering, where an ion-induced defect at the surface of the spore reacts with either the incident bi-radical O{sub 2} or with an incident O atom. This leads to the formation of CO, CO{sub 2} and H{sub 2}O and thus to erosion.

  5. Ground-Laboratory to In-Space Atomic Oxygen Correlation for the Polymer Erosion and Contamination Experiment (PEACE) Polymers

    Science.gov (United States)

    Stambler, Arielle H.; Inoshita, Karen E.; Roberts, Lily M.; Barbagallo, Claire E.; deGroh, Kim K.; Banks, Bruce A.

    2011-01-01

    The Materials International Space Station Experiment 2 (MISSE 2) Polymer Erosion and Contamination Experiment (PEACE) polymers were exposed to the environment of low Earth orbit (LEO) for 3.95 years from 2001 to 2005. There were 41 different PEACE polymers, which were flown on the exterior of the International Space Station (ISS) in order to determine their atomic oxygen erosion yields. In LEO, atomic oxygen is an environmental durability threat, particularly for long duration mission exposures. Although spaceflight experiments, such as the MISSE 2 PEACE experiment, are ideal for determining LEO environmental durability of spacecraft materials, ground-laboratory testing is often relied upon for durability evaluation and prediction. Unfortunately, significant differences exist between LEO atomic oxygen exposure and atomic oxygen exposure in ground-laboratory facilities. These differences include variations in species, energies, thermal exposures and radiation exposures, all of which may result in different reactions and erosion rates. In an effort to improve the accuracy of ground-based durability testing, ground-laboratory to in-space atomic oxygen correlation experiments have been conducted. In these tests, the atomic oxygen erosion yields of the PEACE polymers were determined relative to Kapton H using a radio-frequency (RF) plasma asher (operated on air). The asher erosion yields were compared to the MISSE 2 PEACE erosion yields to determine the correlation between erosion rates in the two environments. This paper provides a summary of the MISSE 2 PEACE experiment; it reviews the specific polymers tested as well as the techniques used to determine erosion yield in the asher, and it provides a correlation between the space and ground laboratory erosion yield values. Using the PEACE polymers asher to in-space erosion yield ratios will allow more accurate in-space materials performance predictions to be made based on plasma asher durability evaluation.

  6. Atomic Oxygen Treatment and Its Effect on a Variety of Artist's Media

    Science.gov (United States)

    Miller, Sharon K. R.; Banks, Bruce A.; Waters, Deborah L.

    2005-01-01

    Atomic oxygen treatment has been investigated as an unconventional option for art restoration where conventional methods have not been effective. Exposure of surfaces to atomic oxygen was first performed to investigate the durability of materials in the low Earth orbit environment of space. The use of the ground based environmental simulation chambers, developed for atomic oxygen exposure testing, has been investigated in collaboration with conservators at a variety of institutions, as a method to clean the surfaces of works of art. The atomic oxygen treatment technique has been evaluated as a method to remove soot and char from the surface of oil paint (both varnished and unvarnished), watercolors, acrylic paint, and fabric as well as the removal of graffiti and other marks from surfaces which are too porous to lend themselves to conventional solvent removal techniques. This paper will discuss the treatment of these surfaces giving an example of each and a discussion of the treatment results.

  7. Atomic oxygen fine-structure splittings with tunable far-infrared spectroscopy

    Science.gov (United States)

    Zink, Lyndon R.; Evenson, Kenneth M.; Matsushima, Fusakazu; Nelis, Thomas; Robinson, Ruth L.

    1991-01-01

    Fine-structure splittings of atomic oxygen (O-16) in the ground state have been accurately measured using a tunable far-infrared spectrometer. The 3P0-3pl splitting is 2,060,069.09 (10) MHz, and the 3Pl-3P2 splitting is 4,744,777.49 (16) MHz. These frequencies are important for measuring atomic oxygen concentration in earth's atmosphere and the interstellar medium.

  8. Adsorption of oxygen atom on MoSi{sub 2} (110) surface

    Energy Technology Data Exchange (ETDEWEB)

    Sun, S.P., E-mail: sunshunping@jsut.edu.cn [School of Materials Engineering, Jiangsu University of Technology, Changzhou 213001 (China); Li, X.P.; Wang, H.J. [School of Materials Engineering, Jiangsu University of Technology, Changzhou 213001 (China); Jiang, Y., E-mail: yjiang@csu.edu.cn [School of Materials Science and Engineering, and Key Laboratory for Non-ferrous Materials of Ministry of Education, Central South University, Changsha 410083 (China); Yi, D.Q. [School of Materials Science and Engineering, and Key Laboratory for Non-ferrous Materials of Ministry of Education, Central South University, Changsha 410083 (China)

    2016-09-30

    Highlights: • The adsorption of oxygen atom on MoSi{sub 2} (110) surface was studied systematically. • The stability of MoSi{sub 2} low-index surfaces was also investigated. • The preference adsorption site of MoSi{sub 2} (110) surface for oxygen atom was H site. - Abstract: The adsorption energy, structural relaxation and electronic properties of oxygen atom on MoSi{sub 2} (110) surface have been investigated by first-principles calculations. The energetic stability of MoSi{sub 2} low-index surfaces was analyzed, and the results suggested that MoSi{sub 2} (110) surface had energetically stability. The site of oxygen atom adsorbed on MoSi{sub 2} (110) surface were discussed, and the results indicated that the preference adsorption site of MoSi{sub 2} (110) surface for oxygen atom was H site (hollow position). Our calculated work should help to understand further the interaction between oxygen atoms and MoSi{sub 2} surfaces.

  9. Adsorption of atomic nitrogen and oxygen on [Formula: see text] surface: a density functional theory study.

    Science.gov (United States)

    Breedon, M; Spencer, M J S; Yarovsky, I

    2009-04-08

    The adsorption of atomic nitrogen and oxygen on the ([Formula: see text]) crystal face of zinc oxide (ZnO) was studied. Binding energies, workfunction changes, vibrational frequencies, charge density differences and electron localization functions were calculated. It was elucidated that atomic oxygen binds more strongly than nitrogen, with the most stable [Formula: see text] structure exhibiting a binding energy of -2.47 eV, indicating chemisorption onto the surface. Surface reconstructions were observed for the most stable minima of both atomic species. Positive workfunction changes were calculated for both adsorbed oxygen and nitrogen if the adsorbate interacted with zinc atoms. Negative workfunction changes were calculated when the adsorbate interacted with both surface oxygen and zinc atoms. Interactions between the adsorbate and the surface zinc atoms resulted in ionic-type bonding, whereas interactions with oxygen atoms were more likely to result in the formation of covalent-type bonding. The positive workfunction changes correlate with an experimentally observed increase in resistance of ZnO conductometric sensor devices.

  10. Development of the chemical oxygen-iodine laser (COIL) with chemical generation of atomic iodine

    Czech Academy of Sciences Publication Activity Database

    Kodymová, Jarmila; Špalek, Otomar; Jirásek, Vít; Čenský, Miroslav; Hager, G. D.

    2003-01-01

    Roč. 77, - (2003), s. 331-336 ISSN 0947-8396 R&D Projects: GA MŠk LN00A100 Institutional research plan: CEZ:AV0Z1010914 Keywords : atomic iodine * atomic chlorine * chemical oxygen-iodine laser(COIL) Subject RIV: BH - Optics, Masers, Lasers Impact factor: 1.220, year: 2003

  11. The hydrogen-atom environment of the ether oxygen atom in crystal structures of some representative muscarinic agonists

    Science.gov (United States)

    Kroon, J.; Scherrenberg, R. L.; Kooijman, H.; Kanters, J. A.

    1990-06-01

    The hypothesis that the ether oxygen atom in muscarinic agonists acts as a hydrogen-bond acceptor is supported by evidence from crystallographic data. The same evidence suggests that in such interactions N +CH⋯O bonds donated by the ligand to the receptor may be involved.

  12. Reaction mechanism of oxygen atoms with unsaturated hydrocarbons by the crossed molecular beams method

    Energy Technology Data Exchange (ETDEWEB)

    Buss, R.J.; Baseman, R.J.; Guozhong, H.; Lee, Y.T.

    1982-04-01

    From a series of studies of the reaction of oxygen atoms with unsaturated hydrocarbons using the crossed molecular beam method, the dominant reaction mechanisms were found to be the simple substitution reactions with oxygen atoms replacing H, Cl, Br atom or alkyl groups. Complication due to secondary reaction was avoided by carrying out experiments under single collisions and observing primary products directly. Primary products were identified by measuring the angular and velocity distributions of products at all the mass numbers which could be detected by the mass spectrometer, and from comparison of these distributions, applying the requirement of energy and momentum conservation.

  13. Reaction Mechanism of Oxygen Atoms with Unsaturated Hydrocarbons by the Crossed-Molecular-Beams Method

    Science.gov (United States)

    Buss, R. J.; Baseman, R. J.; Guozhong, H.; Lee, Y. T.

    1982-04-01

    From a series of studies of the reaction of oxygen atoms with unsaturated hydrocarbons using the crossed molecular beam method, the dominant reaction mechanisms were found to be the simple substitution reactions with oxygen atoms replacing H, Cl, Br atom or alkyl groups. Complication due to secondary reaction was avoided by carrying out experiments under single collisions and observing primary products directly. Primary products were identified by measuring the angular and velocity distributions of products at all the mass numbers which could be detected by the mass spectrometer, and from comparison of these distributions, applying the requirement of energy and momentum conservation.

  14. Atomic Oxygen (AO) and Nitrogen (AN) In-situ Flux Sensor

    Science.gov (United States)

    2016-03-10

    AFRL-AFOSR-VA-TR-2016-0126 DURIP 09) AN ATOMIC OXYGEN FLUX MONITOR FOR USE IN THE SEARCH FOR NEW AND BETT Malcolm Beasley LELAND STANFORD JUNIOR UNIV...Grant # FA9550-01-1-0433 M. R. Beasley, PI Stanford University Project Title: Atomic Oxygen (AO) and Nitrogen (AN) In-situ Flux Sensor...with its ability to achieve controlled layer-by-layer growth on the atomic level. In the case of oxides and nitrides, one problem has been the lack

  15. Excitation and charge transfer in low-energy hydrogen atom collisions with neutral oxygen

    Science.gov (United States)

    Barklem, P. S.

    2018-02-01

    Excitation and charge transfer in low-energy O+H collisions is studied; it is a problem of importance for modelling stellar spectra and obtaining accurate oxygen abundances in late-type stars including the Sun. The collisions have been studied theoretically using a previously presented method based on an asymptotic two-electron linear combination of atomic orbitals (LCAO) model of ionic-covalent interactions in the neutral atom-hydrogen-atom system, together with the multichannel Landau-Zener model. The method has been extended to include configurations involving excited states of hydrogen using an estimate for the two-electron transition coupling, but this extension was found to not lead to any remarkably high rates. Rate coefficients are calculated for temperatures in the range 1000-20 000 K, and charge transfer and (de)excitation processes involving the first excited S-states, 4s.5So and 4s.3So, are found to have the highest rates. Data are available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/vizbin/qcat?J/A+A/610/A57. The data are also available at http://https://github.com/barklem/public-data

  16. Advanced All-Gas Chemical Generation of Atomic Iodine for a COIL, and Testing the COIL Operation Including This Method of Atomic Iodine Generation

    National Research Council Canada - National Science Library

    Kodymova, Jarmila; Spalek, Otomar; Jirasek, Vit; Censky, Miroslav

    2004-01-01

    This report results from a contract tasking Academy of Sciences as follows: The Grantee will investigate advanced methods for chemical generation of atomic iodine for a Chemical Oxygen-Iodine Laser (COIL...

  17. Rapid Hydrogen and Oxygen Atom Transfer by a High-Valent Nickel-Oxygen Species.

    Science.gov (United States)

    Corona, Teresa; Draksharapu, Apparao; Padamati, Sandeep K; Gamba, Ilaria; Martin-Diaconescu, Vlad; Acuña-Parés, Ferran; Browne, Wesley R; Company, Anna

    2016-10-05

    Terminal high-valent metal-oxygen species are key reaction intermediates in the catalytic cycle of both enzymes (e.g., oxygenases) and synthetic oxidation catalysts. While tremendous efforts have been directed toward the characterization of the biologically relevant terminal manganese-oxygen and iron-oxygen species, the corresponding analogues based on late-transition metals such as cobalt, nickel or copper are relatively scarce. This scarcity is in part related to the "Oxo Wall" concept, which predicts that late transition metals cannot support a terminal oxido ligand in a tetragonal environment. Here, the nickel(II) complex (1) of the tetradentate macrocyclic ligand bearing a 2,6-pyridinedicarboxamidate unit is shown to be an effective catalyst in the chlorination and oxidation of C-H bonds with sodium hypochlorite as terminal oxidant in the presence of acetic acid (AcOH). Insight into the active species responsible for the observed reactivity was gained through the study of the reaction of 1 with ClO - at low temperature by UV-vis absorption, resonance Raman, EPR, ESI-MS, and XAS analyses. DFT calculations aided the assignment of the trapped chromophoric species (3) as a nickel-hypochlorite species. Despite the fact that the formal oxidation state of the nickel in 3 is +4, experimental and computational analysis indicate that 3 is best formulated as a Ni III complex with one unpaired electron delocalized in the ligands surrounding the metal center. Most remarkably, 3 reacts rapidly with a range of substrates including those with strong aliphatic C-H bonds, indicating the direct involvement of 3 in the oxidation/chlorination reactions observed in the 1/ClO - /AcOH catalytic system.

  18. Growth control of Saccharomyces cerevisiae through dose of oxygen atoms

    Science.gov (United States)

    Hashizume, Hiroshi; Ohta, Takayuki; Hori, Masaru; Ito, Masafumi

    2015-08-01

    To investigate the dose-dependent effects of neutral oxygen radicals on the proliferation as well as the inactivation of microorganisms, we treated suspensions of budding yeast cells with oxygen radicals using an atmospheric-pressure oxygen radical source, varying the fluxes of O(3Pj) from 1.3 × 1016 to 2.3 × 1017 cm-2 s-1. Proliferation was promoted at doses of O(3Pj) ranging from 6 × 1016 to 2 × 1017 cm-3, and suppressed at doses ranging from 3 × 1017 to 1 × 1018 cm-3; cells were inactivated by O(3Pj) doses exceeding 1 × 1018 cm-3, even when the flux was varied over the above flux range. These results showed that the growth of cells was regulated primarily in response to the total dose of O(3Pj).

  19. Laser supported detonation wave source of atomic oxygen for aerospace material testing

    Science.gov (United States)

    Krech, Robert H.; Caledonia, George E.

    1990-01-01

    A pulsed high-flux source of nearly monoenergetic atomic oxygen was developed to perform accelerated erosion testing of spacecraft materials in a simulated low-earth orbit (LEO) environment. Molecular oxygen is introduced into an evacuated conical expansion nozzle at several atmospheres pressure through a pulsed molecular beam valve. A laser-induced breakdown is generated in the nozzle throat by a pulsed CO2 TEA laser. The resulting plasma is heated by the ensuing laser-supported detonation wave, and then it rapidly expands and cools. An atomic oxygen beam is generated with fluxes above 10 to the 18th atoms per pulse at 8 + or - 1.6 km/s with an ion content below 1 percent for LEO testing. Materials testing yielded the same surface oxygen enrichment in polyethylene samples as observed on the STS mission, and scanning electron micrographs of the irradiated polymer surfaces showed an erosion morphology similar to that obtained on low earth orbit.

  20. Fluorescence measurement of atomic oxygen concentration in a dielectric barrier discharge

    Science.gov (United States)

    Dvořák, P.; Mrkvičková, M.; Obrusník, A.; Kratzer, J.; Dědina, J.; Procházka, V.

    2017-06-01

    Concentration of atomic oxygen was measured in a volume dielectric barrier discharge (DBD) ignited in mixtures of Ar + O2(+ H2) at atmospheric pressure. Two-photon absorption laser induced fluorescence (TALIF) of atomic oxygen was used and this method was calibrated by TALIF of Xe in a mixture of argon and a trace of xenon. The calibration was performed at atmospheric pressure and it was shown that quenching by three-body collisions has negligible effect on the life time of excited Xe atoms. The concentration of atomic oxygen in the DBD was around 1021 m-3 and it was stable during the whole discharge period. The concentration did not depend much on the electric power delivered to the discharge provided that the power was sufficiently high so that the visible discharge filled the whole reactor volume. Both the addition of hydrogen or replacing of argon by helium led to a significant decrease of atomic oxygen concentration. The TALIF measurements of O concentration levels in the DBD plasma performed in this work are made use of e.g. in the field analytical chemistry. The results contribute to understanding the processes of analyte hydride preconcentration and subsequent atomization in the field of trace element analysis where DBD plasma atomizers are employed.

  1. ATOMIC POSITIONS ON OXYGEN-COVERED CU(110) SURFACES

    NARCIS (Netherlands)

    DORENBOS, G; BREEMAN, M; BOERMA, DO

    The reconstructed Cu(110)-p(2 x 1)O and Cu(110)-c(6 x 2)O surfaces were studied using low-energy ion scattering combined with time of flight. Azimuthal scans were measured with 6 keV Ar ions for recoiling O, scattered Ar and recoiling Cu atoms. Part of the scans were analysed using a newly developed

  2. Monte Carlo Technique Used to Model the Degradation of Internal Spacecraft Surfaces by Atomic Oxygen

    Science.gov (United States)

    Banks, Bruce A.; Miller, Sharon K.

    2004-01-01

    Atomic oxygen is one of the predominant constituents of Earth's upper atmosphere. It is created by the photodissociation of molecular oxygen (O2) into single O atoms by ultraviolet radiation. It is chemically very reactive because a single O atom readily combines with another O atom or with other atoms or molecules that can form a stable oxide. The effects of atomic oxygen on the external surfaces of spacecraft in low Earth orbit can have dire consequences for spacecraft life, and this is a well-known and much studied problem. Much less information is known about the effects of atomic oxygen on the internal surfaces of spacecraft. This degradation can occur when openings in components of the spacecraft exterior exist that allow the entry of atomic oxygen into regions that may not have direct atomic oxygen attack but rather scattered attack. Openings can exist because of spacecraft venting, microwave cavities, and apertures for Earth viewing, Sun sensors, or star trackers. The effects of atomic oxygen erosion of polymers interior to an aperture on a spacecraft were simulated at the NASA Glenn Research Center by using Monte Carlo computational techniques. A two-dimensional model was used to provide quantitative indications of the attenuation of atomic oxygen flux as a function of the distance into a parallel-walled cavity. The model allows the atomic oxygen arrival direction, the Maxwell Boltzman temperature, and the ram energy to be varied along with the interaction parameters of the degree of recombination upon impact with polymer or nonreactive surfaces, the initial reaction probability, the reaction probability dependence upon energy and angle of attack, degree of specularity of scattering of reactive and nonreactive surfaces, and the degree of thermal accommodation upon impact with reactive and non-reactive surfaces to be varied to allow the model to produce atomic oxygen erosion geometries that replicate actual experimental results from space. The degree of

  3. Atmospheric Pressure Method and Apparatus for Removal of Organic Matter with Atomic and Ionic Oxygen

    Science.gov (United States)

    Banks, Bruce A. (Inventor); Rutledge, Sharon K. (Inventor)

    1997-01-01

    A gas stream containing ionic and atomic oxygen in inert gas is used to remove organic matter from a substrate. The gas stream is formed by flowing a mixture of gaseous oxygen in an inert gas such as helium at atmospheric pressure past a high voltage, current limited, direct current arc which contacts the gas mixture and forms the ionic and atomic oxygen. The arc is curved at the cathode end and the ionic oxygen formed by the arc nearer to the anode end of the arc is accelerated in a direction towards the cathode by virtue of its charge. The relatively high mass to charge ratio of the ionic oxygen enables at least some of it to escape the arc before contacting the cathode and it is directed onto the substrate. This is useful for cleaning delicate substrates such as fine and historically important paintings and delicate equipment and the like.

  4. Atomic Oxygen Removes Varnish And Lacquer From Old Paintings

    Science.gov (United States)

    Rutledge, Sharon K.; Banks, Bruce A.; Cales, Michael

    1996-01-01

    Dry and relatively nondestructive plasma process found effective in removing protective coats from old paintings. Process generates monatomic oxygen, which reacts with varnish, lacquer, polyurethane, acrylic, and other organic coating materials; reactions produce mostly carbon monoxide and water vapor, then simply pumped away by vacuum system in which plasma generated. Does not attack oxide-based pigments in underlying paint layers, and brush-stroke marks remain undisturbed.

  5. Growth control of Saccharomyces cerevisiae through dose of oxygen atoms

    Energy Technology Data Exchange (ETDEWEB)

    Hashizume, Hiroshi, E-mail: hashizume@plasma.engg.nagoya-u.ac.jp [Plasma Medical Science Global Innovation Center, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8601 (Japan); Department of Electrical and Electronic Engineering, Faculty of Science and Technology, Meijo University, 1-501 Shiogamaguchi, Tempaku-ku, Nagoya 468-8502 (Japan); Ohta, Takayuki; Ito, Masafumi [Department of Electrical and Electronic Engineering, Faculty of Science and Technology, Meijo University, 1-501 Shiogamaguchi, Tempaku-ku, Nagoya 468-8502 (Japan); Hori, Masaru [Plasma Medical Science Global Innovation Center, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8601 (Japan)

    2015-08-31

    To investigate the dose-dependent effects of neutral oxygen radicals on the proliferation as well as the inactivation of microorganisms, we treated suspensions of budding yeast cells with oxygen radicals using an atmospheric-pressure oxygen radical source, varying the fluxes of O({sup 3}P{sub j}) from 1.3 × 10{sup 16} to 2.3 × 10{sup 17 }cm{sup −2} s{sup −1}. Proliferation was promoted at doses of O({sup 3}P{sub j}) ranging from 6 × 10{sup 16} to 2 × 10{sup 17 }cm{sup −3}, and suppressed at doses ranging from 3 × 10{sup 17} to 1 × 10{sup 18 }cm{sup −3}; cells were inactivated by O({sup 3}P{sub j}) doses exceeding 1 × 10{sup 18 }cm{sup −3}, even when the flux was varied over the above flux range. These results showed that the growth of cells was regulated primarily in response to the total dose of O({sup 3}P{sub j})

  6. Elements including metals in the atomizer and aerosol of disposable electronic cigarettes and electronic hookahs.

    Directory of Open Access Journals (Sweden)

    Monique Williams

    Full Text Available Our purpose was to quantify 36 inorganic chemical elements in aerosols from disposable electronic cigarettes (ECs and electronic hookahs (EHs, examine the effect of puffing topography on elements in aerosols, and identify the source of the elements.Thirty-six inorganic chemical elements and their concentrations in EC/EH aerosols were determined using inductively coupled plasma optical emission spectroscopy, and their source was identified by analyzing disassembled atomizers using scanning electron microscopy and energy dispersive X-ray spectroscopy.Of 36 elements screened, 35 were detected in EC/EH aerosols, while only 15 were detected in conventional tobacco smoke. Some elements/metals were present in significantly higher concentrations in EC/EH aerosol than in cigarette smoke. Concentrations of particular elements/metals within EC/EH brands were sometimes variable. Aerosols generated at low and high air-flow rates produced the same pattern of elements, although the total element concentration decreased at the higher air flow rate. The relative amount of elements in the first and last 60 puffs was generally different. Silicon was the dominant element in aerosols from all EC/EH brands and in cigarette smoke. The elements appeared to come from the filament (nickel, chromium, thick wire (copper coated with silver, brass clamp (copper, zinc, solder joints (tin, lead, and wick and sheath (silicon, oxygen, calcium, magnesium, aluminum. Lead was identified in the solder and aerosol of two brands of EHs (up to 0.165 μg/10 puffs.These data show that EC/EH aerosols contain a mixture of elements, including heavy metals, with concentrations often significantly higher than in conventional cigarette smoke. While the health effects of inhaling mixtures of heated metals is currently not known, these data will be valuable in future risk assessments involving EC/EH elements/metals.

  7. Elements including metals in the atomizer and aerosol of disposable electronic cigarettes and electronic hookahs.

    Science.gov (United States)

    Williams, Monique; Bozhilov, Krassimir; Ghai, Sanjay; Talbot, Prue

    2017-01-01

    Our purpose was to quantify 36 inorganic chemical elements in aerosols from disposable electronic cigarettes (ECs) and electronic hookahs (EHs), examine the effect of puffing topography on elements in aerosols, and identify the source of the elements. Thirty-six inorganic chemical elements and their concentrations in EC/EH aerosols were determined using inductively coupled plasma optical emission spectroscopy, and their source was identified by analyzing disassembled atomizers using scanning electron microscopy and energy dispersive X-ray spectroscopy. Of 36 elements screened, 35 were detected in EC/EH aerosols, while only 15 were detected in conventional tobacco smoke. Some elements/metals were present in significantly higher concentrations in EC/EH aerosol than in cigarette smoke. Concentrations of particular elements/metals within EC/EH brands were sometimes variable. Aerosols generated at low and high air-flow rates produced the same pattern of elements, although the total element concentration decreased at the higher air flow rate. The relative amount of elements in the first and last 60 puffs was generally different. Silicon was the dominant element in aerosols from all EC/EH brands and in cigarette smoke. The elements appeared to come from the filament (nickel, chromium), thick wire (copper coated with silver), brass clamp (copper, zinc), solder joints (tin, lead), and wick and sheath (silicon, oxygen, calcium, magnesium, aluminum). Lead was identified in the solder and aerosol of two brands of EHs (up to 0.165 μg/10 puffs). These data show that EC/EH aerosols contain a mixture of elements, including heavy metals, with concentrations often significantly higher than in conventional cigarette smoke. While the health effects of inhaling mixtures of heated metals is currently not known, these data will be valuable in future risk assessments involving EC/EH elements/metals.

  8. Behaviour of oxygen atoms near the surface of nanostructured Nb2O5

    International Nuclear Information System (INIS)

    Cvelbar, U; Mozetic, M

    2007-01-01

    Recombination of neutral oxygen atoms on oxidized niobium foil was studied. Three sets of samples have been prepared: a set of niobium foils with a film of polycrystalline niobium oxide with a thickness of 40 nm, another one with a film thickness of about 2 μm and a set of foils covered with dense bundles of single-crystal Nb 2 O 3 nanowires. All the samples were prepared by oxidation of a pure niobium foil. The samples with a thin oxide film were prepared by exposure of as-received foils to a flux of O-atoms, the samples with a thick polycrystalline niobium oxide were prepared by baking the foils in air at a temperature of 800 deg. C, while the samples covered with nanowires were prepared by oxidation in a highly reactive oxygen plasma. The samples were exposed to neutral oxygen atoms from a remote oxygen plasma source. Depending on discharge parameters, the O-atom density in the postglow chamber, as measured with a catalytic probe, was between 5 x 10 20 and 8 x 10 21 m -3 . The O-atom density in the chamber without the samples was found rather independent of the probe position. The presence of the samples caused a decrease in the O-atom density. Depending on the distance from the samples, the O-atom density was decreased up to 5 times. The O-atom density also depended on the surface morphology of the samples. The strongest decrease in the O-atom density was observed with the samples covered with dense bundles of nanowires. The results clearly showed that niobium oxide nanowires exhibit excellent catalytic behaviour for neutral radicals and can be used as catalysts of exhaust radicals found in many applications

  9. Rapid hydrogen and oxygen atom transfer by a high-valent nickel-oxygen species

    NARCIS (Netherlands)

    Corona, Teresa; Draksharapu, Apparao; Padamati, Sandeep K; Gamba, Ilaria; Martin-Diaconescu, Vlad; Acuña-Parés, Ferran; Browne, Wesley R; Company, Anna

    2016-01-01

    Terminal high-valent metal-oxygen species are key reaction intermediates in the catalytic cycle of both enzymes (e.g., oxygenases) and synthetic oxidation catalysts. While tremendous efforts have been directed towards the characterization of the biologically relevant terminal manganese-oxygen and

  10. The time variation of atomic oxygen emission around Io during a volcanic event observed with Hisaki/EXCEED

    Science.gov (United States)

    Koga, Ryoichi; Tsuchiya, Fuminori; Kagitani, Masato; Sakanoi, Takeshi; Yoneda, Mizuki; Yoshioka, Kazuo; Kimura, Tomoki; Murakami, Go; Yamazaki, Atsushi; Yoshikawa, Ichiro; Smith, H. Todd

    2018-01-01

    Io has an atmosphere produced by volcanism and sublimation of frosts deposited around active volcanoes. However, the time variation of atomic oxygen escaping Io's atmosphere is not well known. In this paper, we show a significant increase in atomic oxygen around Io during a volcanic event. Brightening of Io's extended sodium nebula was observed in the spring of 2015. We used the Hisaki satellite to investigate the time variation of atomic oxygen emission around Io during the same period. This investigation reveals that the duration of atomic oxygen brightness increases from a volcanically quiet level to a maximum level during the same approximate time period of 30 days as the observed sodium brightness. On the other hand, the recovery of the atomic oxygen brightness from the maximum to the quiet level (60 days) was longer than that of the sodium nebula decreasing (40 days). Additionally, a dawn-dusk asymmetry of the atomic oxygen emission is observed.

  11. Trapping cold molecules and atoms: Simultaneous magnetic deceleration and trapping of cold molecular Oxygen with Lithium atoms

    Science.gov (United States)

    Akerman, Nitzan; Karpov, Michael; Segev, Yair; Bibelink, Natan; Narevicius, Julia; Narevicius, Edvardas

    2016-05-01

    Cooling molecules to the ultra-cold regime remains a major challenge in the growing field of cold molecules. The molecular internal degrees of freedom complicate the effort of direct application of laser cooling. An alternative and general path towards ultra-cold molecules relies on sympathetic cooling via collisions with laser-cooled atoms. Here, we demonstrate the first step towards application of sympathetic cooling by co-trapping of molecular Oxygen with Lithium atoms in a magnetic trap at a temperature of 300 mK. Our experiment begins with a pulsed supersonic beam which is a general source for cold high-flux atomic and molecular beams. Although the supersonic expansion efficiently cools the beam to temperatures below 1K, it also accelerates the beam to high mean velocities. We decelerate a beam of O2 in a moving magnetic trap decelerator from 375 m/s to a stop. We entrained the molecular beam with Li atoms by laser ablation prior to deceleration. The deceleration ends with loading the molecules and atoms into a static quadrupole trap, which is generated by two permanent magnets. We estimate 109 trapped molecules with background limited lifetime of 0.6 Sec. Our achievement enables application of laser cooling on the Li atoms in order to sympathetically cool the O2.

  12. Use of O2 airglow for calibrating direct atomic oxygen measurements from sounding rockets

    Directory of Open Access Journals (Sweden)

    G. Witt

    2009-12-01

    Full Text Available Accurate knowledge about the distribution of atomic oxygen is crucial for many studies of the mesosphere and lower thermosphere. Direct measurements of atomic oxygen by the resonance fluorescence technique at 130 nm have been made from many sounding rocket payloads in the past. This measurement technique yields atomic oxygen profiles with good sensitivity and altitude resolution. However, accuracy is a problem as calibration and aerodynamics make the quantitative analysis challenging. Most often, accuracies better than a factor 2 are not to be expected from direct atomic oxygen measurements. As an example, we present results from the NLTE (Non Local Thermodynamic Equilibrium sounding rocket campaign at Esrange, Sweden, in 1998, with simultaneous O2 airglow and O resonance fluorescence measurements. O number densities are found to be consistent with the nightglow analysis, but only within the uncertainty limits of the resonance fluorescence technique. Based on these results, we here describe how better atomic oxygen number densities can be obtained by calibrating direct techniques with complementary airglow photometer measurements and detailed aerodynamic analysis. Night-time direct O measurements can be complemented by photometric detection of the O2 (b1∑g+−X3∑g- Atmospheric Band at 762 nm, while during daytime the O2 (a1Δg−X3∑g- Infrared Atmospheric Band at 1.27 μm can be used. The combination of a photometer and a rather simple resonance fluorescence probe can provide atomic oxygen profiles with both good accuracy and good height resolution.

  13. Use of Atomic Oxygen for Increased Water Contact Angles of Various Polymers for Biomedical Applications

    Science.gov (United States)

    deGroh, Kim; Berger, Lauren; Roberts, Lily

    2009-01-01

    The purpose of this study was to determine the effect of atomic oxygen (AO) exposure on the hydrophilicity of nine different polymers for biomedical applications. Atomic oxygen treatment can alter the chemistry and morphology of polymer surfaces, which may increase the adhesion and spreading of cells on Petri dishes and enhance implant growth. Therefore, nine different polymers were exposed to atomic oxygen and water-contact angle, or hydrophilicity, was measured after exposure. To determine whether hydrophilicity remains static after initial atomic oxygen exposure, or changes with higher fluence exposures, the contact angles between the polymer and water droplet placed on the polymer s surface were measured versus AO fluence. The polymers were exposed to atomic oxygen in a 100-W, 13.56-MHz radio frequency (RF) plasma asher, and the treatment was found to significantly alter the hydrophilicity of non-fluorinated polymers. Pristine samples were compared with samples that had been exposed to AO at various fluence levels. Minimum and maximum fluences for the ashing trials were set based on the effective AO erosion of a Kapton witness coupon in the asher. The time intervals for ashing were determined by finding the logarithmic values of the minimum and maximum fluences. The difference of these two values was divided by the desired number of intervals (ideally 10). The initial desired fluence was then multiplied by this result (2.37), as was each subsequent desired fluence. The flux in the asher was determined to be approximately 3.0 x 10(exp 15) atoms/sq cm/sec, and each polymer was exposed to a maximum fluence of 5.16 x 10(exp 20) atoms/sq cm.

  14. Atomic hydrogen and oxygen adsorptions in single-walled zigzag silicon nanotubes

    International Nuclear Information System (INIS)

    Chen, Haoliang; Ray, Asok K.

    2013-01-01

    Ab initio calculations have been performed to study the electronic and geometric structure properties of zigzag silicon nanotubes. Full geometry and spin optimizations have been performed without any symmetry constraints with an all electron 3-21G* basis set and the B3LYP hybrid functional. The largest zigzag SiNT studied here, (12, 0), has a binding energy per atom of 3.584 eV. Atomic hydrogen and oxygen adsorptions on (9, 0) and (10, 0) nanotubes have also been studied by optimizing the distances of the adatoms from both inside and outside the tube. The adatom is initially placed in four adsorption sites-parallel bridge (PB), zigzag bridge (ZB), hollow, and on-top site. The on-top site is the most preferred site for hydrogen atom adsorbed on (9, 0), with an adsorption energy of 3.0 eV and an optimized distance of 1.49 Å from the adatom to the nearest silicon atom. For oxygen adsorption on (9, 0), the most preferred site is the ZB site, with an adsorption energy of 5.987 eV and an optimized distance of 1.72 Å. For atomic hydrogen adsorption on (10, 0), the most preferred site is also the on-top site with an adsorption energy of 3.174 eV and an optimized distance of 1.49 Å. For adsorption of atomic oxygen on (10, 0), the most preferred site is PB site, with an adsorption energy of 6.306 eV and an optimized distance of 1.71 Å. The HOMO–LUMO gaps of (9, 0) after adsorptions of hydrogen and oxygen atoms decrease while the HOMO–LUMO gaps of (10, 0) increase after adsorption of hydrogen and oxygen

  15. Chemical oxygen-iodine laser with atomic iodine generated via fluorine atoms

    Czech Academy of Sciences Publication Activity Database

    Jirásek, Vít; Čenský, Miroslav; Špalek, Otomar; Kodymová, Jarmila; Picková, Irena; Jakubec, Ivo

    2008-01-01

    Roč. 345, č. 1 (2008), 14-22 ISSN 0301-0104 R&D Projects: GA ČR GA202/05/0359 Institutional research plan: CEZ:AV0Z10100523; CEZ:AV0Z40320502 Keywords : atomic iodine * atomic fluorine * chemical oxygen–iodine laser * COIL Subject RIV: BH - Optics, Masers, Lasers Impact factor: 1.961, year: 2008

  16. Hot oxygen atoms: Their generation and chemistry. [Production by sputtering; reaction with butenes

    Energy Technology Data Exchange (ETDEWEB)

    Ferrieri, R.A.; Chu, Yung Y.; Wolf, A.P.

    1987-01-01

    Oxygen atoms with energies between 1 and 10 eV have been produced through ion beam sputtering from metal oxide targets. Argon ion beams were used on Ta/sub 2/O/sub 5/ and V/sub 2/O/sub 5/. Results show that some control may be exerted over the atom's kinetic energy by changing the target. Reactions of the hot O(/sup 3/P) with cis- and trans-butenes were investigated. (DLC)

  17. Generation of atomic iodine via fluorine for chemical oxygen-iodine laser

    Czech Academy of Sciences Publication Activity Database

    Jirásek, Vít; Špalek, Otomar; Čenský, Miroslav; Picková, Irena; Kodymová, Jarmila; Jakubec, Ivo

    2007-01-01

    Roč. 334, - (2007), s. 167-174 ISSN 0301-0104 R&D Projects: GA ČR GA202/05/0359 Grant - others:USAF European Office for Research and Development(XE) FA 8655-05-M-4027 Institutional research plan: CEZ:AV0Z10100523; CEZ:AV0Z40320502 Keywords : atomic iodine * atomic fluorine * chemical oxygen-iodine laser Subject RIV: BH - Optics, Masers, Lasers Impact factor: 1.805, year: 2007

  18. Ion and atomic species produced in large scale oxygen plasma used for treatments sensitive materials

    Science.gov (United States)

    Spasic, Kosta; Skoro, Nikola; Puac, Nevena; Malovic, Gordana; Petrovic, Zoran Lj.

    2013-09-01

    Asymmetric CCP plasma system operating at 13.56 MHz was successfully used for treatments of textile, seeds and polymers. Central electrode (aluminium rod) was powered electrode while the cylindrical wall of the chamber was grounded electrode. We have used mass spectrometry for detections of ions and neutrals in order to get better insight in plasma chemistry involved in surface reactions on treated samples. Besides of ions, one of the important species for surface modifications is atomic oxygen. Actinometry was used as an additional diagnostic tool to determine the extent of atomic oxygen produced in plasma. Measurements were made in several different mixtures of oxygen with addition of several percent of argon. The range of pressures investigated was 150 to 450 mTorr for powers from 100 to 500 W. Measured atomic oxygen density has a steady rise with power (1019-1020 m-3) . Apart from atomic oxygen species we have detected mass spectra of positive and negative ions. Most abundant ion was O2+while the amounts of O+ and O- were smaller by the order of magnitude compared to O2+. Supported by MESTD, RS, III41011 and ON 171037.

  19. Atomic Oxygen Cleaning Shown to Remove Organic Contaminants at Atmospheric Pressure

    Science.gov (United States)

    Rutledge, Sharon K.

    1998-01-01

    The NASA Lewis Research Center has developed and filed for a patent on a method to produce atomic oxygen at atmospheric pressure by using a direct current arc in a gas flow mixture of oxygen and helium. A prototype device has been tested for its ability to remove various soot residues from surfaces exposed to fire, and various varnishes such as acrylic and egg white.

  20. Manganese-Oxygen Intermediates in O-O Bond Activation and Hydrogen-Atom Transfer Reactions.

    Science.gov (United States)

    Rice, Derek B; Massie, Allyssa A; Jackson, Timothy A

    2017-11-21

    Biological systems capitalize on the redox versatility of manganese to perform reactions involving dioxygen and its derivatives superoxide, hydrogen peroxide, and water. The reactions of manganese enzymes influence both human health and the global energy cycle. Important examples include the detoxification of reactive oxygen species by manganese superoxide dismutase, biosynthesis by manganese ribonucleotide reductase and manganese lipoxygenase, and water splitting by the oxygen-evolving complex of photosystem II. Although these enzymes perform very different reactions and employ structurally distinct active sites, manganese intermediates with peroxo, hydroxo, and oxo ligation are commonly proposed in catalytic mechanisms. These intermediates are also postulated in mechanisms of synthetic manganese oxidation catalysts, which are of interest due to the earth abundance of manganese. In this Account, we describe our recent efforts toward understanding O-O bond activation pathways of Mn III -peroxo adducts and hydrogen-atom transfer reactivity of Mn IV -oxo and Mn III -hydroxo complexes. In biological and synthetic catalysts, peroxomanganese intermediates are commonly proposed to decay by either Mn-O or O-O cleavage pathways, although it is often unclear how the local coordination environment influences the decay mechanism. To address this matter, we generated a variety of Mn III -peroxo adducts with varied ligand environments. Using parallel-mode EPR and Mn K-edge X-ray absorption techniques, the decay pathway of one Mn III -peroxo complex bearing a bulky macrocylic ligand was investigated. Unlike many Mn III -peroxo model complexes that decay to oxo-bridged-Mn III Mn IV dimers, decay of this Mn III -peroxo adduct yielded mononuclear Mn III -hydroxo and Mn IV -oxo products, potentially resulting from O-O bond activation of the Mn III -peroxo unit. These results highlight the role of ligand sterics in promoting the formation of mononuclear products and mark an important

  1. Multiple ionization and coupling effects in L-subshell ionization of heavy atoms by oxygen ions

    International Nuclear Information System (INIS)

    Pajek, M.; Banas, D.; Semaniak, J.; Braziewicz, J.; Majewska, U.; Chojnacki, S.; Czyzewski, T.; Fijal, I.; Jaskola, M.; Glombik, A.; Kretschmer, W.; Trautmann, D.; Lapicki, G.; Mukoyama, T.

    2003-01-01

    The multiple-ionization and coupling effects in L-shell ionization of atoms by heavy-ion impact have been studied by measuring the L x-ray production cross sections in solid targets of Au, Bi, Th, and U bombarded by oxygen ions in the energy range 6.4-70 MeV. The measured L x-ray spectra were analyzed using the recently proposed method accounting for the multiple-ionization effects, such as x-ray line shifting and broadening, which enables one to obtain the ionization probabilities for outer shells. The L-subshell ionization cross sections have been obtained from measured x-ray production cross sections for resolved Lα 1,2 , Lγ 1 , and Lγ 2,3 transitions using the L-shell fluorescence and Coster-Kronig yields being substantially modified by the multiple ionization in the M and N shells. In particular, the effect of closing of strong L 1 -L 3 M 4,5 Coster-Kronig transitions in multiple-ionized atoms was evidenced and discussed. The experimental ionization cross sections for the L 1 , L 2 , and L 3 subshells have been compared with the predictions of the semiclassical approximation (SCA) and the ECPSSR theory that includes the corrections for the binding-polarization effect within the perturbed stationary states approximation, the projecticle energy loss, and Coulomb deflection effects as well as the relativistic description of inner-shell electrons. These approaches were further modified to include the L-subshell couplings within the ''coupled-subshell model'' (CSM). Both approaches, when modified for the coupling effects, are in better agreement with the data. Particularly, the predictions of the SCA-CSM calculations reproduce the experimental L-subshell ionization cross section reasonably well. Remaining discrepancies are discussed qualitatively, in terms of further modifications of the L-shell decay rates caused by a change of electronic wave functions in multiple-ionized atoms

  2. The surface reactivity of acrylonitrile with oxygen atoms on an analogue of interstellar dust grains.

    Science.gov (United States)

    Kimber, Helen J.; Toscano, Jutta; Price, Stephen D.

    2018-03-01

    Experiments designed to reveal the low temperature reactivity on the surfaces of interstellar dust grains are used to probe the heterogeneous reaction between oxygen atoms and acrylonitrile (C2H3CN, H2C = CH-CN). The reaction is studied at a series of fixed surface temperatures between 14 K and 100 K. After dosing the reactants onto the surface, temperature programmed desorption, coupled with time-of-flight mass spectrometry, reveals the formation of a product with the molecular formula C3H3NO. This product results from the addition of a single oxygen atom to the acrylonitrile reactant. The oxygen atom attack appears to occur exclusively at the C = C double bond, rather than involving the cyano (-CN) group. The absence of reactivity at the cyano site hints that full saturation of organic molecules on dust grains may not always occur in the interstellar medium. Modelling the experimental data provides a reaction probability of 0.007 ± 0.003 for a Langmuir-Hinshelwood style (diffusive) reaction mechanism. Desorption energies for acrylonitrile, oxygen atoms and molecular oxygen, from the multilayer mixed ice their deposition forms, are also extracted from the kinetic model and are 22.7 ± 1.0 kJ mol-1 (2730 ± 120 K), 14.2 ± 1.0 kJ mol-1 (1710 ± 120 K) and 8.5 ± 0.8 kJ mol-1 (1020 ± 100 K) respectively. The kinetic parameters we extract from our experiments indicate that the reaction between atomic oxygen and acrylonitrile could occur on interstellar dust grains on an astrophysical time scale.

  3. Rate of reaction of dimethylmercury with oxygen atoms in the gas phase

    DEFF Research Database (Denmark)

    Egsgaard, Helge

    1986-01-01

    The rate constant for the reaction of atomic oxygen (O(3P)) with dimethylmercury has been measured at room temperature at a pressure of about 1 Torr using a fast flow system with electron paramagnetic resonance and mass spectrometric detection. Some reaction products were identified. The rate...

  4. Atomic Oxygen Treatment for Non-Contact Removal of Organic Protective Coatings from Painting Surfaces

    Science.gov (United States)

    Rutledge, Sharon K.; Banks, Bruce A.; Cales, Michael

    1994-01-01

    Current techniques for removal of varnish (lacquer) and other organic protective coatings from paintings involve contact with the surface. This contact can remove pigment, or alter the shape and location of paint on the canvas surface. A thermal energy atomic oxygen plasma, developed to simulate the space environment in low Earth orbit, easily removes these organic materials. Uniform removal of organic protective coatings from the surfaces of paintings is accomplished through chemical reaction. Atomic oxygen will not react with oxides so that most paint pigments will not be affected by the reaction. For paintings containing organic pigments, the exposure can be carefully timed so that the removal stops just short of the pigment. Color samples of Alizarin Crimson, Sap Green, and Zinc White coated with Damar lacquer were exposed to atomic oxygen. The lacquer was easily removed from all of the samples. Additionally, no noticeable change in appearance was observed after the lacquer was reapplied. The same observations were made on a painted canvas test sample obtained from the Cleveland Museum of Art. Scanning electron microscope photographs showed a slight microscopic texturing of the vehicle after exposure. However, there was no removal or disturbance of the paint pigment on the surface. It appears that noncontact cleaning using atomic oxygen may provide a viable alternative to other cleaning techniques. It is especially attractive in cases where the organic protective surface cannot be acceptably or safely removed by conventional techniques.

  5. Atomic Oxygen Treatment as a Method of Recovering Smoke Damaged Paintings

    Science.gov (United States)

    Rutledge, Sharon K.; Banks, Bruce A.; Forkapa, Mark; Stueber, Thomas; Sechkar, Edward; Malinowski, Kevin

    1998-01-01

    Smoke damage, as a result of a fire, can be difficult to remove from some types of painting media without causing swelling, leaching or pigment movement or removal. A non-contact technique has been developed which can remove soot from the surface of a painting by use of a gently flowing gas containing atomic oxygen. The atomic oxygen chemically reacts with the soot on the surface creating gasses such as carbon monoxide and carbon dioxide which can be removed through the use of an exhaust system. The reaction is limited to the surface so that the process can be timed to stop when the paint layer is reached. Atomic oxygen is a primary component of the low Earth orbital environment, but can be generated on Earth through various methods. This paper will discuss the results of atomic oxygen treatment of soot exposed acrylic gesso, ink on paper, and a varnished oil painting. Reflectance measurements were used to characterize the surfaces before and after treatment.

  6. Atomic oxygen dynamics in an air dielectric barrier discharge: a combined diagnostic and modeling approach

    Science.gov (United States)

    Baldus, Sabrina; Schröder, Daniel; Bibinov, Nikita; Schulz-von der Gathen, Volker; Awakowicz, Peter

    2015-06-01

    Cold atmospheric pressure plasmas are a promising alternative therapy for treatment of chronic wounds, as they have already shown in clinical trials. In this study an air dielectric barrier discharge (DBD) developed for therapeutic use in dermatology is characterized with respect to the plasma produced reactive oxygen species, namely atomic oxygen and ozone, which are known to be of great importance to wound healing. To understand the plasma chemistry of the applied DBD, xenon-calibrated two-photon laser-induced fluorescence spectroscopy and optical absorption spectroscopy are applied. The measured spatial distributions are shown and compared to each other. A model of the afterglow chemistry based on optical emission spectroscopy is developed to cross-check the measurement results and obtain insight into the dynamics of the considered reactive oxygen species. The atomic oxygen density is found to be located mostly between the electrodes with a maximum density of {{n}\\text{O}}=6× {{10}16} cm-3 . Time resolved measurements reveal a constant atomic oxygen density between two high voltage pulses. The ozone is measured up to 3 mm outside the active plasma volume, reaching a maximum value of {{n}{{\\text{O}3}}}=3× {{10}16} cm-3 between the electrodes.

  7. Rate constant for the reaction of atomic oxygen with phosphine at 298 K

    Science.gov (United States)

    Stief, L. J.; Payne, W. A.; Nava, D. F.

    1987-01-01

    The rate constant for the reaction of atomic oxygen with phosphine has been measured at 298 K using flash photolysis combined with time-resolved detection of O(3P) via resonance fluorescence. Atomic oxygen was produced by flash photolysis of N2O or NO highly diluted in argon. The results were shown to be independent of (PH3), (O), total pressure and the source of O(3P). The mean value of all the experiments is k1 = (3.6 + or -0.8) x 10 to the -11th cu cm/s (1 sigma). Two previous measurements of k1 differed by more than an order of magnitude, and the results support the higher value obtained in a discharge flow-mass spectrometry study. A comparison with rate data for other atomic and free radical reactions with phosphine is presented, and the role of these reactions in the aeronomy or photochemistry of Jupiter and Saturn is briefly considered.

  8. A Comprehensive X-Ray Absorption Model for Atomic Oxygen

    NARCIS (Netherlands)

    Gorzyca, T.W.; Bautista, M.A.; Hasoglu, M.F.; García, J.; Gatuzz, E.; Kaastra, J.S.; Kallman, T.R.; Manson, S.T.; Mendoza, C.; Raassen, A.J.J.; de Vries, C.P.; Zatsarinny, O.

    2013-01-01

    An analytical formula is developed to accurately represent the photoabsorption cross section of O I for all energies of interest in X-ray spectral modeling. In the vicinity of the K edge, a Rydberg series expression is used to fit R-matrix results, including important orbital relaxation effects,

  9. Mechanism of pulse discharge production of iodine atoms from CF3I molecules for a chemical oxygen-iodine laser

    International Nuclear Information System (INIS)

    Kochetov, I V; Napartovich, A P; Vagin, N P; Yuryshev, N N

    2009-01-01

    The pulsed chemical oxygen-iodine laser (COIL) development is aimed at many new applications. Pulsed electric discharge is most effective in turning COIL operation into the pulse mode by instant production of iodine atoms. A numerical model is developed for simulations of the pulsed COIL initiated by an electric discharge. The model comprises a system of kinetic equations for neutral and charged species, electric circuit equation, gas thermal balance equation and the photon balance equation. Reaction rate coefficients for processes involving electrons are found by solving the electron Boltzmann equation, which is re-calculated in a course of computations when plasma parameters changed. The processes accounted for in the Boltzmann equation include excitation and ionization of atoms and molecules, dissociation of molecules, electron attachment processes, electron-ion recombination, electron-electron collisions, second-kind collisions and stepwise excitation of molecules. The last processes are particularly important because of a high singlet oxygen concentration in gas flow from the singlet oxygen chemical generator. Results of numerical simulations are compared with experimental laser pulse waveforms. It is concluded that there is satisfactory agreement between theory and the experiment. The prevailing mechanism of iodine atom formation from the CF 3 I donor in a very complex kinetic system of the COIL medium under pulse discharge conditions, based on their detailed numerical modelling and by comparing these results both with experimental results of other authors and their own experiments, is established. The dominant iodine atom production mechanism for conditions under study is the electron-impact dissociation of CF 3 I molecules. It was proved that in the conditions of the experiment the secondary chemical reactions with O atoms play an insignificant role.

  10. Role of N2 molecules in pulse discharge production of I atoms for a pulsed chemical oxygen-iodine laser

    International Nuclear Information System (INIS)

    Kochetov, I V; Napartovich, A P; Vagin, N P; Yuryshev, N N

    2011-01-01

    A pulsed electric discharge is the most effective means to turn chemical oxygen-iodine laser (COIL) operation into the pulse mode by fast production of iodine atoms. Experimental studies and numerical simulations are performed on a pulsed COIL initiated by an electric discharge in a mixture CF 3 I : N 2 : O 2 ( 3 X) : O 2 (a 1 Δ g ) flowing out of a chemical singlet oxygen generator. A transverse pulsed discharge is realized at various iodide pressures. The model comprises a system of kinetic equations for neutral and charged species, the electric circuit equation, the gas thermal balance equation and the photon balance equation. Reaction rate coefficients for processes involving electrons are repeatedly re-calculated by the electron Boltzmann equation solver when the plasma parameters are changed. The processes accounted for in the Boltzmann equation include direct and stepwise excitation and ionization of atoms and molecules, dissociation of molecules, electron attachment processes, electron-ion recombination, electron-electron collisions and second-kind collisions. The last processes are particularly important because of a high singlet oxygen concentration in gas flow from the singlet oxygen chemical generator. A conclusion is drawn about satisfactory agreement between the theory and the experiment.

  11. Generation of atomic iodine via fluorine for chemical oxygen-iodine laser

    International Nuclear Information System (INIS)

    Jirasek, Vit; Spalek, Otomar; Censky, Miroslav; Pickova, Irena; Kodymova, Jarmila; Jakubec, Ivo

    2007-01-01

    A method of the chemical generation of atomic iodine for a chemical oxygen-iodine laser (COIL) using atomic fluorine as a reaction intermediate was studied experimentally. This method is based on the reaction between F 2 and NO providing F atoms, and the reaction of F with HI resulting in iodine atoms generation. Atomic iodine was produced with efficiency exceeding 40% relative to initial F 2 flow rate. This efficiency was nearly independent on pressure and total gas flow rate. The F atoms were stable in the reactor up to 2 ms. An optimum ratio of the reactants flow rates was F 2 :NO:HI = 1:1:1. A rate constant of the reaction of F 2 with HI was determined. The numerical modelling showed that remaining HI and IF were probably consumed in their mutual reaction. The reaction system was found suitable for employing in a generator of atomic iodine with its subsequent injection into a supersonic nozzle of a COIL

  12. The Kinetics of Oxygen Atom Recombination in the Presence of Carbon Dioxide

    Science.gov (United States)

    Jamieson, C. S.; Garcia, R. M.; Pejakovic, D.; Kalogerakis, K.

    2009-12-01

    Understanding processes involving atomic oxygen is crucial for the study and modeling of composition, energy transfer, airglow, and transport dynamics in planetary atmospheres. Significant gaps and uncertainties exist in the understanding of these processes and often the relevant input from laboratory measurements is missing or outdated. We are conducting laboratory experiments to measure the rate coefficient for O + O + CO2 recombination and investigating the O2 excited states produced following the recombination. These measurements will provide key input for a quantitative understanding and reliable modeling of the atmospheres of the CO2 planets and their airglow. An excimer laser providing pulsed output at either 193 nm or 248 nm is employed to produce O atoms by dissociating carbon dioxide, nitrous oxide, or ozone. In an ambient-pressure background of CO2, O atoms recombine in a time scale of a few milliseconds. Detection of laser-induced fluorescence at 845 nm following two-photon excitation near 226 nm monitors the decay of the oxygen atom population. From the temporal evolution of the signal the recombination rate coefficient is extracted. Fluorescence spectroscopy is used to detect the products of O-atom recombination and subsequent relaxation in CO2. This work is supported by the US National Science Foundation’s (NSF) Planetary Astronomy Program. Rosanne Garcia’s participation was funded by the NSF Research Experiences for Undergraduates (REU) Program.

  13. Oxidation of Ni(Pt)Si by molecular vs. atomic oxygen

    International Nuclear Information System (INIS)

    Manandhar, Sudha; Copp, Brian; Kelber, J.A.

    2008-01-01

    X-ray photoelectron spectroscopy (XPS) has been used to characterize the oxidation of a clean Ni(Pt)Si surface under two distinct conditions: exposure to a mixed flux of atomic and molecular oxygen (O + O 2 ; P O+O 2 = 5 x 10 -6 Torr) and pure molecular oxygen (O 2 ; P O 2 = 10 -5 Torr) at ambient temperatures. Formation of the clean, stoichiometric (nickel monosilicide) phase under vacuum conditions results in the formation of a surface layer enriched in PtSi. Oxidation of this surface in the presence of atomic oxygen initially results in formation of a silicon oxide overlayer. At higher exposures, kinetically limited oxidation of Pt results in Pt silicate formation. No passivation of oxygen uptake of the sample is observed for total O + O 2 exposure 4 L, at which point the average oxide/silicate overlayer thickness is 23 (3) A (uncertainty in the last digit in parentheses). In contrast, exposure of the clean Ni(Pt)Si surface to molecular oxygen only (maximum exposure: 5 x 10 5 L) results in slow growth of a silicon oxide overlayer, without silicate formation, and eventual passivation at a total average oxide thickness of 8(1) A, compared to a oxide average thickness of 17(2) A (no silicate formation) for the as-received sample (i.e., exposed to ambient.) The aggressive silicon oxidation by atomic oxygen, results in Ni-rich silicide formation in the substrate and the kinetically limited oxidation of the Pt

  14. Angular distribution of photoelectrons from atomic oxygen, nitrogen and carbon. [in upper atmosphere

    Science.gov (United States)

    Manson, S. J.; Kennedy, D. J.; Starace, A. F.; Dill, D.

    1974-01-01

    The angular distributions of photoelectrons from atomic oxygen, nitrogen, and carbon are calculated. Both Hartree-Fock and Hartree-Slater (Herman-Skillman) wave functions are used for oxygen, and the agreement is excellent; thus only Hartree-Slater functions are used for carbon and nitrogen. The pitch-angle distribution of photoelectrons is discussed, and it is shown that previous approximations of energy-independent isotropic or sin squared theta distributions are at odds with the authors' results, which vary with energy. This variation with energy is discussed, as is the reliability of these calculations.

  15. Single Atomic Iron Catalysts for Oxygen Reduction in Acidic Media: Particle Size Control and Thermal Activation

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Hanguang [Department; Hwang, Sooyeon [Center; Wang, Maoyu [School; Feng, Zhenxing [School; Karakalos, Stavros [Department; Luo, Langli [Pacific Northwest National Laboratory, Richland, Washington 99352, United States; Qiao, Zhi [Department; Xie, Xiaohong [Pacific Northwest National Laboratory, Richland, Washington 99352, United States; Wang, Chongmin [Pacific Northwest National Laboratory, Richland, Washington 99352, United States; Su, Dong [Center; Shao, Yuyan [Pacific Northwest National Laboratory, Richland, Washington 99352, United States; Wu, Gang [Department

    2017-09-26

    To significantly reduce the cost of proton exchange membrane (PEM) fuel cells, current Pt must be replaced by platinum-metal-group (PGM)-free catalysts for the oxygen reduction reaction (ORR) in acid. We report here a new class of high-performance atomic iron dispersed carbon catalysts through controlled chemical doping of iron ions into zinc-zeolitic imidazolate framework (ZIF), a type of metal-organic framework (MOF). The novel synthetic chemistry enables accurate size control of Fe-doped ZIF catalyst particles with a wide range from 20 to 1000 nm without changing chemical properties, which provides a great opportunity to increase the density of active sites that is determined by the particle size. We elucidated the active site formation mechanism by correlating the chemical and structural changes with thermal activation process for the conversion from Fe-N4 complex containing hydrocarbon networks in ZIF to highly active FeNx sites embedded into carbon. A temperature of 800oC was identified as the critical point to start forming pyridinic nitrogen doping at the edge of the graphitized carbon planes. Further increasing heating temperature to 1100oC leads to increase of graphitic nitrogen, generating possible synergistic effect with FeNx sites to promote ORR activity. The best performing catalyst, which has well-defined particle size around 50 nm and abundance of atomic FeNx sites embedded into carbon structures, achieve a new performance milestone for the ORR in acid including a half-wave potential of 0.85 V vs RHE and only 20 mV loss after 10,000 cycles in O2 saturated H2SO4 electrolyte. The new class PGM-free catalyst with approaching activity to Pt holds great promise for future PEM fuel cells.

  16. Eddy turbulence, the double mesopause, and the double layer of atomic oxygen

    Directory of Open Access Journals (Sweden)

    M. N. Vlasov

    2012-01-01

    Full Text Available In this study, we consider the impact of eddy turbulence on temperature and atomic oxygen distribution when the peak of the temperature occurs in the upper mesosphere. A previous paper (Vlasov and Kelley, 2010 considered the simultaneous impact of eddy turbulence on temperature and atomic oxygen density and showed that eddy turbulence provides an effective mechanism to explain the cold summer and warm winter mesopause observed at high latitudes. Also, the prevalent role of eddy turbulence in this case removes the strong contradiction between seasonal variations of the O density distribution and the impact of upward/downward motion corresponding to adiabatic cooling/heating of oxygen atoms. Classically, there is a single minimum in the temperature profile marking the location of the mesopause. But often, a local maximum in the temperature is observed in the height range of 85–100 km, creating the appearance of a double mesopause (Bills and Gardner, 1993; Yu and She, 1995; Gusev et al., 2006. Our results show that the relative temperature maximum in the upper mesosphere (and thus the double mesopause can result from heating by eddy turbulence. According to our model, there is a close connection between the extra temperature peak in the mesosphere and the oxygen atom density distribution. The main feature of the O density height profile produced by eddy turbulence in our model is a double peak instead of a single peak of O density. A rocket experiment called TOMEX confirms these results (Hecht et al., 2004. Applying our model to the results of the TOMEX rocket campaign gives good agreement with both the temperature and oxygen profiles observed. Climatology of the midlatitude mesopause and green line emission shows that the double mesopause and the double layers of the green line emission, corresponding to the double O density height profile, are mainly observed in spring and fall (Yu and She, 1995; Liu and Shepherd, 2006. Further observations of

  17. The Effect of Ash and Inorganic Pigment Fill on the Atomic Oxygen Erosion of Polymers and Paints (ISMSE-12)

    Science.gov (United States)

    Banks, Bruce A.; Simmons, Julie C.; de Groh, Kim K.; Miller, Sharon K.

    2012-01-01

    Low atomic oxygen fluence (below 1x10(exp 20) atoms/sq cm) exposure of polymers and paints that have a small ash content and/or inorganic pigment fill does not cause a significant difference in erosion yield compared to unfilled (neat) polymers or paints. However, if the ash and/or inorganic pigment content is increased, the surface population of the inorganic content will begin to occupy a significant fraction of the surface area as the atomic oxygen exposure increases because the ash is not volatile and remains as a loosely attached surface layer. This results in a reduction of the flux of atomic oxygen reacting with the polymer and a reduction in the rate of erosion of the polymer remaining. This paper presents the results of ground laboratory and low Earth orbital (LEO) investigations to evaluate the fluence dependence of atomic oxygen erosion yields of polymers and paints having inorganic fill content.

  18. Simulation of the Atomic and Electronic Structure of Oxygen Vacancies and Polyvacancies in ZrO2

    Science.gov (United States)

    Perevalov, T. V.

    2018-03-01

    Cubic, tetragonal, and monoclinic phases of zirconium oxide with oxygen vacancies and polyvacancies are studied by quantum chemical modeling of the atomic and electronic structure. It is demonstrated that an oxygen vacancy in ZrO2 may act as both an electron trap and a hole one. An electron added to the ZrO2 structure with an oxygen vacancy is distributed between two neighboring Zr atoms and is a bonding orbital by nature. It is advantageous for each subsequent O vacancy to form close to the already existing ones; notably, one Zr atom has no more than two removed O atoms related to it. Defect levels from oxygen polyvacancies are distributed in the bandgap with preferential localization in the vicinity of the oxygen monovacancy level.

  19. Influence of driving frequency on oxygen atom density in O2 radio frequency capacitively coupled plasma

    International Nuclear Information System (INIS)

    Kitajima, Takeshi; Noro, Kouichi; Nakano, Toshiki; Makabe, Toshiaki

    2004-01-01

    The influence of the driving frequency on the absolute oxygen atom density in an O 2 radio frequency (RF) capacitively coupled plasma (CCP) was investigated using vacuum ultraviolet absorption spectroscopy with pulse modulation of the main plasma. A low-power operation of a compact inductively coupled plasma light source was enabled to avoid the significant measurement errors caused by self-absorption in the light source. The pulse modulation of the main plasma enabled accurate absorption measurement for high plasma density conditions by eliminating background signals due to light emission from the main plasma. As for the effects of the driving frequency, the effect of VHF (100 MHz) drive on oxygen atom production was small because of the modest increase in plasma density of electronegative O 2 in contrast to the significant increase in electron density previously observed for electropositive Ar. The recombination coefficient of oxygen atoms on the electrode surface was obtained from a decay rate in the afterglow by comparison with a diffusion model, and it showed agreement with previously reported values for several electrode materials

  20. Surface modification of polystyrene with atomic oxygen radical anions-dissolved solution

    International Nuclear Information System (INIS)

    Wang Lian; Yan Lifeng; Zhao Peitao; Torimoto, Yoshifumi; Sadakata, Masayoshi; Li Quanxin

    2008-01-01

    A novel approach to surface modification of polystyrene (PS) polymer with atomic oxygen radical anions-dissolved solution (named as O - water) has been investigated. The O - water, generated by bubbling of the O - (atomic oxygen radical anion) flux into the deionized water, was characterized by UV-absorption spectroscopy and electron paramagnetic resonance (EPR) spectroscopy. The O - water treatments caused an obvious increase of the surface hydrophilicity, surface energy, surface roughness and also caused an alteration of the surface chemical composition for PS surfaces, which were indicated by the variety of contact angle and material characterization by atomic force microscope (AFM) imaging, field emission scanning electron microscopy (FESEM), X-ray photoelectron spectroscopy (XPS), and attenuated total-reflection Fourier transform infrared (ATR-FTIR) measurements. Particularly, it was found that some hydrophilic groups such as hydroxyl (OH) and carbonyl (C=O) groups were introduced onto the polystyrene surfaces via the O - water treatment, leading to the increases of surface hydrophilicity and surface energy. The active oxygen species would react with the aromatic ring molecules on the PS surfaces and decompose the aromatic compounds to produce hydrophilic hydroxyl and carbonyl compounds. In addition, the O - water is also considered as a 'clean solution' without adding any toxic chemicals and it is easy to be handled at room temperature. Present method may suit to the surface modification of polymers and other heat-sensitive materials potentially

  1. Modeling of Transmittance Degradation Caused by Optical Surface Contamination by Atomic Oxygen Reaction with Adsorbed Silicones

    Science.gov (United States)

    Snyder, Aaron; Banks, Bruce; Miller, Sharon; Stueber, Thomas; Sechkar, Edward

    2001-01-01

    A numerical procedure is presented to calculate transmittance degradation caused by contaminant films on spacecraft surfaces produced through the interaction of orbital atomic oxygen (AO) with volatile silicones and hydrocarbons from spacecraft components. In the model, contaminant accretion is dependent on the adsorption of species, depletion reactions due to gas-surface collisions, desorption, and surface reactions between AO and silicone producing SiO(x), (where x is near 2). A detailed description of the procedure used to calculate the constituents of the contaminant layer is presented, including the equations that govern the evolution of fractional coverage by specie type. As an illustrative example of film growth, calculation results using a prototype code that calculates the evolution of surface coverage by specie type is presented and discussed. An example of the transmittance degradation caused by surface interaction of AO with deposited contaminant is presented for the case of exponentially decaying contaminant flux. These examples are performed using hypothetical values for the process parameters.

  2. Formation of oxides and segregation of mobile atoms during SIMS profiling of Si with oxygen ions

    International Nuclear Information System (INIS)

    Petravic, M.; Williams, J.S.; Svensson, B.G.; Conway, M.

    1993-01-01

    An oxygen beam is commonly used in secondary ion mass spectroscopy (SIMS) analysis to enhance the ionization probability for positive secondary ions. It has been observed, however, that this technique produces in some cases a great degradation of depth resolution. The most pronounced effects have been found for impurities in silicon under oxygen bombardment at angles of incidence smaller than ∼ 30 deg from the surface normal. A new approach is described which involved broadening of SIMS profiles for some mobile atoms, such as Cu, Ni and Au, implanted into silicon. The anomalously large broadening is explained in terms of segregation at a SiO 2 /Si interface formed during bombardment with oxygen at impact angles less than 30 deg. 2 refs., 1 tab., 4 figs

  3. Formation of oxides and segregation of mobile atoms during SIMS profiling of Si with oxygen ions

    Energy Technology Data Exchange (ETDEWEB)

    Petravic, M.; Williams, J.S.; Svensson, B.G.; Conway, M. [Australian National Univ., Canberra, ACT (Australia). Research School of Physical Sciences

    1993-12-31

    An oxygen beam is commonly used in secondary ion mass spectroscopy (SIMS) analysis to enhance the ionization probability for positive secondary ions. It has been observed, however, that this technique produces in some cases a great degradation of depth resolution. The most pronounced effects have been found for impurities in silicon under oxygen bombardment at angles of incidence smaller than {approx} 30 deg from the surface normal. A new approach is described which involved broadening of SIMS profiles for some mobile atoms, such as Cu, Ni and Au, implanted into silicon. The anomalously large broadening is explained in terms of segregation at a SiO{sub 2}/Si interface formed during bombardment with oxygen at impact angles less than 30 deg. 2 refs., 1 tab., 4 figs.

  4. High energy-intensity atomic oxygen beam source for low earth orbit materials degradation studies

    International Nuclear Information System (INIS)

    Cross, J.B.; Blais, N.C.

    1988-01-01

    A high intensity (10 19 O-atoms/s-sr) high energy (5 eV) source of oxygen atoms has been developed that produces a total fluence of 10 22 O-atoms/cm 2 in less than 100 hours of continuous operation at a distance of 15 cm from the source. The source employs a CW CO 2 laser sustained discharge to form a high temperature (15,000 K) plasma in the throat of a 0.3-mm diameter nozzle using 3--8 atmospheres of rare gas/O 2 mixtures. Visible and infrared photon flux levels of 1 watt/cm 2 have been measured 15 cm downstream of the source while vacuum UV (VUV) fluxes are comparable to that measured in low earth orbit. The reactions of atomic oxygen with kapton, Teflon, silver, and various coatings have been studied. The oxidation of kapton (reaction efficiency = 3 /times/ 10/sup /minus/24/ cm /+-/ 50%) has an activation energy of 0.8 Kcal/mole over the temperature range of 25/degree/C to 100/degree/C at a beam energy of 1.5 eV and produces low molecular weight gas phase reaction products (H 2 O, NO, CO 2 ). Teflon reacts with ∼0.1--0.2 efficiency to that of kapton at 25/degree/C and both surfaces show a rug-like texture after exposure to the O-atom beam. Angular scattering distribution measurements of O-atoms show a near cosine distribution from reactive surfaces indicating complete accommodation of the translational energy with the surface while a nonreactive surface (nickel oxide) shows specular-like scattering with 50% accommodation of the translational energy with the surface. A technique for simple on orbit chemical experiments using resistance measurements of coated silver strips is described. 9 figs

  5. Chemical reaction of atomic oxygen with evaporated films of copper, part 4

    Science.gov (United States)

    Fromhold, A. T.; Williams, J. R.

    1990-01-01

    Evaporated copper films were exposed to an atomic oxygen flux of 1.4 x 10(exp 17) atoms/sq cm per sec at temperatures in the range 285 to 375 F (140 to 191 C) for time intervals between 2 and 50 minutes. Rutherford backscattering spectroscopy (RBS) was used to determine the thickness of the oxide layers formed and the ratio of the number of copper to oxygen atoms in the layers. Oxide film thicknesses ranged from 50 to 3000 A (0.005 to 0.3 microns, or equivalently, 5 x 10(exp -9) to 3 x 10(exp -7); it was determined that the primary oxide phase was Cu2O. The growth law was found to be parabolic (L(t) varies as t(exp 1/2)), in which the oxide thickness L(t) increases as the square root of the exposure time t. The analysis of the data is consistent with either of the two parabolic growth laws. (The thin-film parabolic growth law is based on the assumption that the process is diffusion controlled, with the space charge within the growing oxide layer being negligible. The thick-film parabolic growth law is also based on a diffusion controlled process, but space-charge neutrality prevails locally within very thick oxides.) In the absence of a voltage measurement across the growing oxide, a distinction between the two mechanisms cannot be made, nor can growth by the diffusion of neutral atomic oxygen be entirely ruled out. The activation energy for the reaction is on the order of 1.1 eV (1.76 x 10(exp -19) joule, or equivalently, 25.3 kcal/mole).

  6. Surface recombination of oxygen atoms in O2 plasma at increased pressure: II. Vibrational temperature and surface production of ozone

    Science.gov (United States)

    Lopaev, D. V.; Malykhin, E. M.; Zyryanov, S. M.

    2011-01-01

    Ozone production in an oxygen glow discharge in a quartz tube was studied in the pressure range of 10-50 Torr. The O3 density distribution along the tube diameter was measured by UV absorption spectroscopy, and ozone vibrational temperature TV was found comparing the calculated ab initio absorption spectra with the experimental ones. It has been shown that the O3 production mainly occurs on a tube surface whereas ozone is lost in the tube centre where in contrast the electron and oxygen atom densities are maximal. Two models were used to analyse the obtained results. The first one is a kinetic 1D model for the processes occurring near the tube walls with the participation of the main particles: O(3P), O2, O2(1Δg) and O3 molecules in different vibrational states. The agreement of O3 and O(3P) density profiles and TV calculated in the model with observed ones was reached by varying the single model parameter—ozone production probability (\\gamma_{O_{3}}) on the quartz tube surface on the assumption that O3 production occurs mainly in the surface recombination of physisorbed O(3P) and O2. The phenomenological model of the surface processes with the participation of oxygen atoms and molecules including singlet oxygen molecules was also considered to analyse \\gamma_{O_{3}} data obtained in the kinetic model. A good agreement between the experimental data and the data of both models—the kinetic 1D model and the phenomenological surface model—was obtained in the full range of the studied conditions that allowed consideration of the ozone surface production mechanism in more detail. The important role of singlet oxygen in ozone surface production was shown. The O3 surface production rate directly depends on the density of physisorbed oxygen atoms and molecules and can be high with increasing pressure and energy inputted into plasma while simultaneously keeping the surface temperature low enough. Using the special discharge cell design, such an approach opens up the

  7. Surface recombination of oxygen atoms in O2 plasma at increased pressure: II. Vibrational temperature and surface production of ozone

    International Nuclear Information System (INIS)

    Lopaev, D V; Malykhin, E M; Zyryanov, S M

    2011-01-01

    Ozone production in an oxygen glow discharge in a quartz tube was studied in the pressure range of 10-50 Torr. The O 3 density distribution along the tube diameter was measured by UV absorption spectroscopy, and ozone vibrational temperature T V was found comparing the calculated ab initio absorption spectra with the experimental ones. It has been shown that the O 3 production mainly occurs on a tube surface whereas ozone is lost in the tube centre where in contrast the electron and oxygen atom densities are maximal. Two models were used to analyse the obtained results. The first one is a kinetic 1D model for the processes occurring near the tube walls with the participation of the main particles: O( 3 P), O 2 , O 2 ( 1 Δ g ) and O 3 molecules in different vibrational states. The agreement of O 3 and O( 3 P) density profiles and T V calculated in the model with observed ones was reached by varying the single model parameter-ozone production probability (γ O 3 ) on the quartz tube surface on the assumption that O 3 production occurs mainly in the surface recombination of physisorbed O( 3 P) and O 2 . The phenomenological model of the surface processes with the participation of oxygen atoms and molecules including singlet oxygen molecules was also considered to analyse γ O 3 data obtained in the kinetic model. A good agreement between the experimental data and the data of both models-the kinetic 1D model and the phenomenological surface model-was obtained in the full range of the studied conditions that allowed consideration of the ozone surface production mechanism in more detail. The important role of singlet oxygen in ozone surface production was shown. The O 3 surface production rate directly depends on the density of physisorbed oxygen atoms and molecules and can be high with increasing pressure and energy inputted into plasma while simultaneously keeping the surface temperature low enough. Using the special discharge cell design, such an approach opens up

  8. Crossed beam reactive scattering of oxygen atoms and surface scattering studies of gaseous condensation

    International Nuclear Information System (INIS)

    Sibener, S.J.

    1979-09-01

    A high pressure, radio frequency discharge nozzle beam source was developed for the production of very intense (greater than or equal to 10 18 atoms sr -1 sec -1 ) supersonic beams of oxygen atoms. This source is capable of producing seeded beams of ground state O( 3 P/sub J/) atoms when dilute oxygen-argon mixtures are used, with molecular dissociation levels exceeding 80% being realized for operation at pressures up to 350 torr. When dilute oxygen-helium mixtures are employed both ground state O( 3 P/sub J/) and excited state O( 1 D 2 ) atoms are present in the terminal beam, with molecular dissociation levels typically exceeding 60% being achieved for operation at pressures up to 200 torr. Atomic oxygen mean translational energies from 0.14 to 0.50 eV were obtained using the seeded beams technique, with Mach numbers as high as 10 (FWHM Δ v/v approx. = 20%) being realized. The IC1, CF 3 I, C 6 H 6 , and C 6 D 6 reactions are discussed in detail. The IC1 and CF 3 I studies have enabled us to determine an improved value for the bond energy of the IO radical: D/sub o/(IO) = 55 +- 2 kcal/mole. The IO product angular and velocity distributions have been used to generate center-of-mass flux contour maps, which indicate that these two reactions proceed via relatively long-lived collision complexes whose mean lifetimes are slightly shorter than their respective rotational periods. The O( 3 P/sub J/) + C 6 H 6 and C 6 D 6 reactions were studied in order to elucidate the reaction mechanism, and, in particular, to identify the primary reaction products produced in these reactions. Finally, a series of beam-surface scattering experiments are described which examined the internal and translational energy dependence of molecular condensation probabilities for collisions involving either CC1 4 or SF 6 and their respective condensed phases. 117 references

  9. Atomic Oxygen Abundance in Molecular Clouds: Absorption Toward Sagittarius B2

    Science.gov (United States)

    Lis, D. C.; Keene, Jocelyn; Phillips, T. G.; Schilke, P.; Werner, M. W.; Zmuidzinas, J.

    2001-01-01

    We have obtained high-resolution (approximately 35 km/s) spectra toward the molecular cloud Sgr B2 at 63 micrometers, the wavelength of the ground-state fine-structure line of atomic oxygen (O(I)), using the ISO-LWS instrument. Four separate velocity components are seen in the deconvolved spectrum, in absorption against the dust continuum emission of Sgr B2. Three of these components, corresponding to foreground clouds, are used to study the O(I) content of the cool molecular gas along the line of sight. In principle, the atomic oxygen that produces a particular velocity component could exist in any, or all, of three physically distinct regions: inside a dense molecular cloud, in the UV illuminated surface layer (PDR) of a cloud, and in an atomic (H(I)) gas halo. For each of the three foreground clouds, we estimate, and subtract from the observed O(I) column density, the oxygen content of the H(I) halo gas, by scaling from a published high-resolution 21 cm spectrum. We find that the remaining O(I) column density is correlated with the observed (13)CO column density. From the slope of this correlation, an average [O(I)]/[(13)CO] ratio of 270 +/- 120 (3-sigma) is derived, which corresponds to [O(I)]/[(13)CO] = 9 for a CO to (13)CO abundance ratio of 30. Assuming a (13)CO abundance of 1x10(exp -6) with respect to H nuclei, we derive an atomic oxygen abundance of 2.7x10(exp -4) in the dense gas phase, corresponding to a 15% oxygen depletion compared to the diffuse ISM in our Galactic neighborhood. The presence of multiple, spectrally resolved velocity components in the Sgr B2 absorption spectrum allows, for the first time, a direct determination of the PDR contribution to the O(I) column density. The PDR regions should contain O(I) but not (13)CO, and would thus be expected to produce an offset in the O(I)-(13)CO correlation. Our data do not show such an offset, suggesting that within our beam O(I) is spatially coexistent with the molecular gas, as traced by (13)CO

  10. The role of atomic oxygen concentration in the ionization balance of the lower ionosphere during solar proton events

    Energy Technology Data Exchange (ETDEWEB)

    Osepian, A.; Tereschenko, V. [Polar Geophysical Institute, Murmansk (Russian Federation); Dalin, P.; Kirkwood, S. [Swedish Institute of Space Physics, Kiruna (Sweden)

    2008-07-01

    The influence of atomic oxygen concentration on the height distribution of the main positive and negative ions and on electron density in the mesosphere is studied for the conditions prevailing during the solar proton event on 17 January 2005. It is shown by numerical modeling that the electron and ion density profiles are strongly dependent on the choice of the atomic oxygen profile. Experimental measurements of the electron density are used as the criterion for choosing the atomic oxygen profile in the mesosphere. With the help of modeling, the atomic oxygen profile in the daytime in the winter mesosphere is found to lead to a model electron density profile best matching the electron density profile obtained experimentally. As a result, with the help of modeling, we find the atomic oxygen profiles at various solar zenith angles in the winter mesosphere which lead to model electron density profiles matching the electron density profiles obtained experimentally. Alteration of the atomic oxygen concentration leads to a redistribution of the abundance of both positive and negative ion constituents, with changes in their total concentrations and transition heights. In consequence this results in changes of the electron density and effective recombination coefficient. For conditions of low concentration of atomic oxygen (during a solar proton event), the formation of cluster ions is the key process determining electron and ion densities at altitudes up to 77 km. The complex negative CO{sub 3}{sup -} ion is formed up to about 74 km and the final NO{sub 3}{sup -} ion, which is stable in relation to the atomic oxygen, is the dominant negative ion up to 74 km. As a result the transition heights between cluster ions and molecular ions and between negative ions and electron density are located at 77 km and 66 km, respectively. (orig.)

  11. On I(5577 Å and I (7620 Å auroral emissions and atomic oxygen densities

    Directory of Open Access Journals (Sweden)

    R. L. Gattinger

    1996-07-01

    Full Text Available A model of auroral electron deposition processes has been developed using Monte Carlo techniques to simulate electron transport and energy loss. The computed differential electron flux and pitch angle were compared with in situ auroral observations to provide a check on the accuracy of the model. As part of the energy loss process, a tally was kept of electronic excitation and ionization of the important atomic and molecular states. The optical emission rates from these excited states were computed and compared with auroral observations of η(3914 Å, η(5577 Å, η(7620 Å and η(N2VK. In particular, the roles played by energy transfer from N2(A3Σ+u and by other processes in the excitation of O(1S and O2(b1Σ+g were investigated in detail. It is concluded that the N2(A3Σ+u mechanism is dominant for the production of OI(5577 Å in the peak emission region of normal aurora, although the production efficiency is much smaller than the measured laboratory value; above 150 km electron impact on atomic oxygen is dominant. Atomic oxygen densities in the range of 0.75±0.25 MSIS-86 [O] were derived from the optical comparisons for auroral latitudes in mid-winter for various levels of solar and magnetic activity.

  12. Carbon-hydrogen defects with a neighboring oxygen atom in n-type Si

    Science.gov (United States)

    Gwozdz, K.; Stübner, R.; Kolkovsky, Vl.; Weber, J.

    2017-07-01

    We report on the electrical activation of neutral carbon-oxygen complexes in Si by wet-chemical etching at room temperature. Two deep levels, E65 and E75, are observed by deep level transient spectroscopy in n-type Czochralski Si. The activation enthalpies of E65 and E75 are obtained as EC-0.11 eV (E65) and EC-0.13 eV (E75). The electric field dependence of their emission rates relates both levels to single acceptor states. From the analysis of the depth profiles, we conclude that the levels belong to two different defects, which contain only one hydrogen atom. A configuration is proposed, where the CH1BC defect, with hydrogen in the bond-centered position between neighboring C and Si atoms, is disturbed by interstitial oxygen in the second nearest neighbor position to substitutional carbon. The significant reduction of the CH1BC concentration in samples with high oxygen concentrations limits the use of this defect for the determination of low concentrations of substitutional carbon in Si samples.

  13. Representation-free description of light-pulse atom interferometry including non-inertial effects

    Energy Technology Data Exchange (ETDEWEB)

    Kleinert, Stephan, E-mail: stephan.kleinert@uni-ulm.de [Institut für Quantenphysik and Center for Integrated Quantum Science and Technology (IQST), Universität Ulm, Albert-Einstein-Allee 11, D-89081 Ulm (Germany); Kajari, Endre; Roura, Albert [Institut für Quantenphysik and Center for Integrated Quantum Science and Technology (IQST), Universität Ulm, Albert-Einstein-Allee 11, D-89081 Ulm (Germany); Schleich, Wolfgang P. [Institut für Quantenphysik and Center for Integrated Quantum Science and Technology (IQST), Universität Ulm, Albert-Einstein-Allee 11, D-89081 Ulm (Germany); Texas A& M University Institute for Advanced Study (TIAS), Institute for Quantum Science and Engineering (IQSE) and Department of Physics and Astronomy, Texas A& M University College Station, TX 77843-4242 (United States)

    2015-12-30

    Light-pulse atom interferometers rely on the wave nature of matter and its manipulation with coherent laser pulses. They are used for precise gravimetry and inertial sensing as well as for accurate measurements of fundamental constants. Reaching higher precision requires longer interferometer times which are naturally encountered in microgravity environments such as drop-tower facilities, sounding rockets and dedicated satellite missions aiming at fundamental quantum physics in space. In all those cases, it is necessary to consider arbitrary trajectories and varying orientations of the interferometer set-up in non-inertial frames of reference. Here we provide a versatile representation-free description of atom interferometry entirely based on operator algebra to address this general situation. We show how to analytically determine the phase shift as well as the visibility of interferometers with an arbitrary number of pulses including the effects of local gravitational accelerations, gravity gradients, the rotation of the lasers and non-inertial frames of reference. Our method conveniently unifies previous results and facilitates the investigation of novel interferometer geometries.

  14. Atomic oxygen adsorption and its effect on the oxidation behaviour of ZrB2-ZrC-SiC in air

    International Nuclear Information System (INIS)

    Gao Dong; Zhang Yue; Xu Chunlai; Song Yang; Shi Xiaobin

    2011-01-01

    Research highlights: → Atomic oxygen was adsorbed on the surface of ZrB 2 -ZrC-SiC ceramics. → Atomic oxygen was preferred reacted with borides according to XPS spectra. → The atomic oxygen adsorption is detrimental to the oxidation resistance. → The porosity should be the major reason which provides diffusion path for the atomic oxygen. → The structure evolution of the ceramics during oxidation is analyzed. - Abstract: Atomic oxygen is adsorbed on the surface of the hot-pressed ZrB 2 -ZrC-SiC ceramic composites, and then the ceramic composites are oxidized in air up to 1500 deg. C with the purpose of clarifying the effect of atomic oxygen adsorption on the oxidation behaviour of the ceramic composites. The XPS spectra are employed to identify the adsorption mechanism of atomic oxygen on the surface of the ceramic composites, and the formation of O-B, O-Zr, and O-Si bonds indicates that atomic oxygen is chemically adsorbed on the surface of the ceramic. In addition, atomic oxygen is preferred to be adsorbed on the surface of borides according to the Zr 3d core level spectrum. On the other hand, the atomic oxygen adsorption is detrimental to the oxidation resistance according to experimental results, and the porosity of the ceramic should be the major reason which provides diffusion path for the atomic oxygen. Furthermore, the structure evolution of the ceramic composites during oxidation process is analyzed.

  15. Computer simulations of an oxygen inductively coupled plasma used for plasma-assisted atomic layer deposition

    International Nuclear Information System (INIS)

    Tinck, S; Bogaerts, A

    2011-01-01

    In this paper, an O 2 inductively coupled plasma used for plasma enhanced atomic layer deposition of Al 2 O 3 thin films is investigated by means of modeling. This work intends to provide more information about basic plasma properties such as species densities and species fluxes to the substrate as a function of power and pressure, which might be hard to measure experimentally. For this purpose, a hybrid model developed by Kushner et al is applied to calculate the plasma characteristics in the reactor volume for different chamber pressures ranging from 1 to 10 mTorr and different coil powers ranging from 50 to 500 W. Density profiles of the various oxygen containing plasma species are reported as well as fluxes to the substrate under various operating conditions. Furthermore, different orientations of the substrate, which can be placed vertically or horizontally in the reactor, are taken into account. In addition, special attention is paid to the recombination process of atomic oxygen on the different reactor walls under the stated operating conditions. From this work it can be concluded that the plasma properties change significantly in different locations of the reactor. The plasma density near the cylindrical coil is high, while it is almost negligible in the neighborhood of the substrate. Ion and excited species fluxes to the substrate are found to be very low and negligible. Finally, the orientation of the substrate has a minor effect on the flux of O 2 , while it has a significant effect on the flux of O. In the horizontal configuration, the flux of atomic oxygen can be up to one order of magnitude lower than in the vertical configuration.

  16. Threshold behavior in single-photon double ionization of atomic oxygen

    Science.gov (United States)

    He, Z. X.; Moberg, R.; Samson, J. A. R.

    1995-12-01

    The threshold behavior of the single-photon double-ionization cross section of atomic oxygen has been studied using vacuum uv radiation from a synchrotron storage ring. The double-ionization cross section appears to follow a power law Eα (where E is the kinetic energy of the two electrons) from its threshold to about 2.0 eV above with an exponent α=1.08+/-0.03, which is consistent with Wannier's theoretical value of 1.056. The cross section also shows the influence of the doubly excited 2s2p3nln'l' (n,n'>~3) neutral states, among which the first three converge to the 2s2p3(5So)4p(6Po) ionic state of oxygen.

  17. Electrochemical Water Oxidation and Stereoselective Oxygen Atom Transfer Mediated by a Copper Complex.

    Science.gov (United States)

    Kafentzi, Maria-Chrysanthi; Papadakis, Raffaello; Gennarini, Federica; Kochem, Amélie; Iranzo, Olga; Le Mest, Yves; Le Poul, Nicolas; Tron, Thierry; Faure, Bruno; Simaan, A Jalila; Réglier, Marius

    2018-04-06

    Water oxidation by copper-based complexes to form dioxygen has attracted attention in recent years, with the aim of developing efficient and cheap catalysts for chemical energy storage. In addition, high-valent metal-oxo species produced by the oxidation of metal complexes in the presence of water can be used to achieve substrate oxygenation with the use of H 2 O as an oxygen source. To date, this strategy has not been reported for copper complexes. Herein, a copper(II) complex, [(RPY2)Cu(OTf) 2 ] (RPY2=N-substituted bis[2-pyridyl(ethylamine)] ligands; R=indane; OTf=triflate), is used. This complex, which contains an oxidizable substrate moiety (indane), is used as a tool to monitor an intramolecular oxygen atom transfer reaction. Electrochemical properties were investigated and, upon electrolysis at 1.30 V versus a normal hydrogen electrode (NHE), both dioxygen production and oxygenation of the indane moiety were observed. The ligand was oxidized in a highly diastereoselective manner, which indicated that the observed reactivity was mediated by metal-centered reactive species. The pH dependence of the reactivity was monitored and correlated with speciation deduced from different techniques, ranging from potentiometric titrations to spectroscopic studies and DFT calculations. Water oxidation for dioxygen production occurs at neutral pH and is probably mediated by the oxidation of a mononuclear copper(II) precursor. It is achieved with a rather low overpotential (280 mV at pH 7), although with limited efficiency. On the other hand, oxygenation is maximum at pH 8-8.5 and is probably mediated by the electrochemical oxidation of an antiferromagnetically coupled dinuclear bis(μ-hydroxo) copper(II) precursor. This constitutes the first example of copper-centered oxidative water activation for a selective oxygenation reaction. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Use of an Atmospheric Atomic Oxygen Beam for Restoration of Defaced Paintings

    Science.gov (United States)

    Banks, Bruce A.; Rutledge, Sharon K.; Karla, Margaret; Norris, Mary Jo; Real, William A.; Haytas, Christy A.

    1999-01-01

    An atmospheric atomic oxygen beam has been found to be effective in removing organic materials through oxidation that are typical of graffiti or other contaminant defacements which may occur to the surfaces of paintings. The technique, developed by the National Aeronautics and Space Administration, is portable and was successfully used at the Carnegie Museum of Art to remove a lipstick smudge from the surface of porous paint on the Andy Warhol painting "Bathtub." This process was also evaluated for suitability to remove felt tip and ball point ink graffiti from paper, gesso on canvas and cotton canvas.

  19. Atomic Oxygen Treatment as a Method of Recovering Smoke Damaged Paintings. Revised

    Science.gov (United States)

    Rutledge, Sharon K.; Banks, Bruce A.; Forkapa, Mark; Stueber, Thomas; Sechkar, Edward; Malinowski, Kevin

    1999-01-01

    A noncontact technique is described that uses atomic oxygen, generated under low pressure in the presence of nitrogen, to remove soot and charred varnish from the surface of a painting. The process, which involves surface oxidation, permits control of the amount of surface material removed. The effectiveness of the process was evaluated by reflectance measurements from selected areas made during the removal of soot from acrylic gesso, ink on paper, and varnished oil paint substrates. For the latter substrate, treatment also involved the removal of damaged varnish and paint binder from the surface.

  20. Accelerated Oxygen Atom Transfer and C-H Bond Oxygenation by Remote Redox Changes in Fe3 Mn-Iodosobenzene Adducts.

    Science.gov (United States)

    de Ruiter, Graham; Carsch, Kurtis M; Gul, Sheraz; Chatterjee, Ruchira; Thompson, Niklas B; Takase, Michael K; Yano, Junko; Agapie, Theodor

    2017-04-18

    We report the synthesis, characterization, and reactivity of [LFe 3 (PhPz) 3 OMn( s PhIO)][OTf] x (3: x=2; 4: x=3), where 4 is one of very few examples of iodosobenzene-metal adducts characterized by X-ray crystallography. Access to these rare heterometallic clusters enabled differentiation of the metal centers involved in oxygen atom transfer (Mn) or redox modulation (Fe). Specifically, 57 Fe Mössbauer and X-ray absorption spectroscopy provided unique insights into how changes in oxidation state (Fe III 2 Fe II Mn II vs. Fe III 3 Mn II ) influence oxygen atom transfer in tetranuclear Fe 3 Mn clusters. In particular, a one-electron redox change at a distal metal site leads to a change in oxygen atom transfer reactivity by ca. two orders of magnitude. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Mass loss of shuttle space suit orthofabric under simulated ionospheric atomic oxygen bombardment

    Science.gov (United States)

    Miller, W. L.

    1985-01-01

    Many polymeric materials used for thermal protection and insulation on spacecraft degrade significantly under prolonged bombardment by ionospheric atomic oxygen. The covering fabric of the multilayered shuttle space suit is composed of a loose weave of GORE-TEX fibers, Nomex and Kevlar-29, which are all polymeric materials. The complete evaluation of suit fabric degradation from ionospheric atomic oxygen is of importance in reevaluating suit lifetime and inspection procedures. The mass loss and visible physical changes of each test sample was determined. Kapton control samples and data from previous asher and flight tests were used to scale the results to reflect ionospheric conditions at about 220 km altitude. It is predicted that the orthofabric loses mass in the ionosphere at a rate of about 66% of the original orthofabric mass/yr. The outer layer of the two-layer orthofabric test samples shows few easily visible signs of degradation, even when observed at 440X. It is concluded that the orthofabric could suffer significant loss of performance after much less than a year of total exposure time, while the degradation might be undetectable in post flight visual examinations of space suits.

  2. MISSE 2 PEACE Polymers Experiment Atomic Oxygen Erosion Yield Error Analysis

    Science.gov (United States)

    McCarthy, Catherine E.; Banks, Bruce A.; deGroh, Kim, K.

    2010-01-01

    Atomic oxygen erosion of polymers in low Earth orbit (LEO) poses a serious threat to spacecraft performance and durability. To address this, 40 different polymer samples and a sample of pyrolytic graphite, collectively called the PEACE (Polymer Erosion and Contamination Experiment) Polymers, were exposed to the LEO space environment on the exterior of the International Space Station (ISS) for nearly 4 years as part of the Materials International Space Station Experiment 1 & 2 (MISSE 1 & 2). The purpose of the PEACE Polymers experiment was to obtain accurate mass loss measurements in space to combine with ground measurements in order to accurately calculate the atomic oxygen erosion yields of a wide variety of polymeric materials exposed to the LEO space environment for a long period of time. Error calculations were performed in order to determine the accuracy of the mass measurements and therefore of the erosion yield values. The standard deviation, or error, of each factor was incorporated into the fractional uncertainty of the erosion yield for each of three different situations, depending on the post-flight weighing procedure. The resulting error calculations showed the erosion yield values to be very accurate, with an average error of 3.30 percent.

  3. Quantum-mechanical theory including angular momenta analysis of atom-atom collisions in a laser field

    Science.gov (United States)

    Devries, P. L.; George, T. F.

    1978-01-01

    The problem of two atoms colliding in the presence of an intense radiation field, such as that of a laser, is investigated. The radiation field, which couples states of different electronic symmetry, is described by the number state representation while the electronic degrees of freedom (plus spin-orbit interaction) are discussed in terms of a diabatic representation. The total angular momentum of the field-free system and the angular momentum transferred by absorption (or emission) of a photon are explicitly considered in the derivation of the coupled scattering equations. A model calculation is discussed for the Xe + F collision system.

  4. Nitrogen-Coordinated Single Cobalt Atom Catalysts for Oxygen Reduction in Proton Exchange Membrane Fuel Cells.

    Science.gov (United States)

    Wang, Xiao Xia; Cullen, David A; Pan, Yung-Tin; Hwang, Sooyeon; Wang, Maoyu; Feng, Zhenxing; Wang, Jingyun; Engelhard, Mark H; Zhang, Hanguang; He, Yanghua; Shao, Yuyan; Su, Dong; More, Karren L; Spendelow, Jacob S; Wu, Gang

    2018-03-01

    Due to the Fenton reaction, the presence of Fe and peroxide in electrodes generates free radicals causing serious degradation of the organic ionomer and the membrane. Pt-free and Fe-free cathode catalysts therefore are urgently needed for durable and inexpensive proton exchange membrane fuel cells (PEMFCs). Herein, a high-performance nitrogen-coordinated single Co atom catalyst is derived from Co-doped metal-organic frameworks (MOFs) through a one-step thermal activation. Aberration-corrected electron microscopy combined with X-ray absorption spectroscopy virtually verifies the CoN 4 coordination at an atomic level in the catalysts. Through investigating effects of Co doping contents and thermal activation temperature, an atomically Co site dispersed catalyst with optimal chemical and structural properties has achieved respectable activity and stability for the oxygen reduction reaction (ORR) in challenging acidic media (e.g., half-wave potential of 0.80 V vs reversible hydrogen electrode (RHE). The performance is comparable to Fe-based catalysts and 60 mV lower than Pt/C -60 μg Pt cm -2 ). Fuel cell tests confirm that catalyst activity and stability can translate to high-performance cathodes in PEMFCs. The remarkably enhanced ORR performance is attributed to the presence of well-dispersed CoN 4 active sites embedded in 3D porous MOF-derived carbon particles, omitting any inactive Co aggregates. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Stability of V2O5 Supported on Titania in the Presence of Water, Bulk Oxygen Vacancies, and Adsorbed Oxygen Atoms

    DEFF Research Database (Denmark)

    Kristoffersen, Henrik Høgh; Neilson, Hunter L.; Buratto, Steven K.

    2017-01-01

    A catalyst consisting of vanadium oxide submonolayers supported on rutile titanium dioxide is used for a variety of reactions. One important question is the difference between the activity of monomeric clusters (having one vanadium atom) and polymeric clusters (having more than one vanadium atom......). In the case of oxidative dehydrogenation of alkanes and methanol, the reaction produces water, oxygen vacancies, and hydrogen atoms bound to the surface. For this article we use density functional theory to examine how the presence of these species on the surface affects a V2O5 cluster, which we assume...

  6. BROMOCEA Code: An Improved Grand Canonical Monte Carlo/Brownian Dynamics Algorithm Including Explicit Atoms.

    Science.gov (United States)

    Solano, Carlos J F; Pothula, Karunakar R; Prajapati, Jigneshkumar D; De Biase, Pablo M; Noskov, Sergei Yu; Kleinekathöfer, Ulrich

    2016-05-10

    All-atom molecular dynamics simulations have a long history of applications studying ion and substrate permeation across biological and artificial pores. While offering unprecedented insights into the underpinning transport processes, MD simulations are limited in time-scales and ability to simulate physiological membrane potentials or asymmetric salt solutions and require substantial computational power. While several approaches to circumvent all of these limitations were developed, Brownian dynamics simulations remain an attractive option to the field. The main limitation, however, is an apparent lack of protein flexibility important for the accurate description of permeation events. In the present contribution, we report an extension of the Brownian dynamics scheme which includes conformational dynamics. To achieve this goal, the dynamics of amino-acid residues was incorporated into the many-body potential of mean force and into the Langevin equations of motion. The developed software solution, called BROMOCEA, was applied to ion transport through OmpC as a test case. Compared to fully atomistic simulations, the results show a clear improvement in the ratio of permeating anions and cations. The present tests strongly indicate that pore flexibility can enhance permeation properties which will become even more important in future applications to substrate translocation.

  7. Atomic oxygen effects on boron nitride and silicon nitride: A comparison of ground based and space flight data

    Science.gov (United States)

    Cross, J. B.; Lan, E. H.; Smith, C. A.; Whatley, W. J.

    1990-01-01

    The effects of atomic oxygen on boron nitride (BN) and silicon nitride (Si3N4) were evaluated in a low Earth orbit (LEO) flight experiment and in a ground based simulation facility. In both the inflight and ground based experiments, these materials were coated on thin (approx. 250A) silver films, and the electrical resistance of the silver was measured in situ to detect any penetration of atomic oxygen through the BN and Si3N4 materials. In the presence of atomic oxygen, silver oxidizes to form silver oxide, which has a much higher electrical resistance than pure silver. Permeation of atomic oxygen through BN, as indicated by an increase in the electrical resistance of the silver underneath, was observed in both the inflight and ground based experiments. In contrast, no permeation of atomic oxygen through Si3N4 was observed in either the inflight or ground based experiments. The ground based results show good qualitative correlation with the LEO flight results, indicating that ground based facilities such as the one at Los Alamos National Lab can reproduce space flight data from LEO.

  8. Simulation of the synergistic low Earth orbit effects of vacuum thermal cycling, vacuum UV radiation, and atomic oxygen

    Science.gov (United States)

    Dever, Joyce A.; Degroh, Kim K.; Stidham, Curtis R.; Stueber, Thomas J.; Dever, Therese M.; Rodriguez, Elvin; Terlep, Judith A.

    1992-01-01

    In order to assess the low Earth orbit (LEO) durability of candidate space materials, it is necessary to use ground laboratory facilities which provide LEO environmental effects. A facility combining vacuum thermal cycling and vacuum ultraviolet (VUV) radiation has been designed and constructed at NASA Lewis Research Center for this purpose. This facility can also be operated without the VUV lamps. An additional facility can be used to provide VUV exposure only. By utilizing these facilities, followed by atomic oxygen exposure in an RF plasma asher, the effects of the individual vacuum thermal cycling and VUV environments can be compared to the effect of the combined vacuum thermal cycling/VUV environment on the atomic oxygen durability of materials. The synergistic effects of simulated LEO environmental conditions on materials were evaluated by first exposing materials to vacuum thermal cycling, VUV, and vacuum thermal cycling/VUV environments followed by exposure to atomic oxygen in an RP plasma asher. Candidate space power materials such as atomic oxygen protected polyimides and solar concentrator mirrors were evaluated using these facilities. Characteristics of the Vacuum Thermal Cycling/VUV Exposure Facility which simulates the temperature sequences and solar ultraviolet radiation exposure that would be experienced by a spacecraft surface in LEO are discussed. Results of durability evaluations of some candidate space power materials to the simulated LEO environmental conditions will also be discussed. Such results have indicated that for some materials, atomic oxygen durability is affected by previous exposure to thermal cycling and/or VUV exposure.

  9. Influence of average ion energy and atomic oxygen flux per Si atom on the formation of silicon oxide permeation barrier coatings on PET

    Science.gov (United States)

    Mitschker, F.; Wißing, J.; Hoppe, Ch; de los Arcos, T.; Grundmeier, G.; Awakowicz, P.

    2018-04-01

    The respective effect of average incorporated ion energy and impinging atomic oxygen flux on the deposition of silicon oxide (SiO x ) barrier coatings for polymers is studied in a microwave driven low pressure discharge with additional variable RF bias. Under consideration of plasma parameters, bias voltage, film density, chemical composition and particle fluxes, both are determined relative to the effective flux of Si atoms contributing to film growth. Subsequently, a correlation with barrier performance and chemical structure is achieved by measuring the oxygen transmission rate (OTR) and by performing x-ray photoelectron spectroscopy. It is observed that an increase in incorporated energy to 160 eV per deposited Si atom result in an enhanced cross-linking of the SiO x network and, therefore, an improved barrier performance by almost two orders of magnitude. Furthermore, independently increasing the number of oxygen atoms to 10 500 per deposited Si atom also lead to a comparable barrier improvement by an enhanced cross-linking.

  10. Study of the metastable singlet of molecular nitrogen and of oxygen atoms in discharges and post-discharges

    International Nuclear Information System (INIS)

    Magne, Lionel

    1991-01-01

    Whereas discharges in nitrogen, in oxygen and in their mixtures are used in many different industrial processes (surface treatment, nitridation, oxidation, and so on), in order to get a better knowledge on nitrogen electronic states, this research thesis reports the study of the metastable singlet state of molecular nitrogen, and of oxygen atoms in their fundamental state. The molecular metastable has been observed by far-UV optical emission spectroscopy, in the positive column of a continuous discharge and in time post-discharge. As far as continuous discharge is concerned, the author measured the vibrational distribution of this state. A kinetic model has been developed, and calculated vibrational distributions are in good agreement with measurements. The density of oxygen atoms in fundamental state in time post-discharge has been measured by far-UV absorption optical spectroscopy. The probability of atom re-association of glass walls is deduced from the obtained results [fr

  11. Resistance of Silicon-Containing Carbonized Lignin to Atomic Oxygen Erosion

    Science.gov (United States)

    Kajimoto, Takeshi; Hata, Toshimitsu; Tagawa, Masahito; Kojima, Hirotsugu; Hayakawa, Hajime

    Spacecraft in low Earth orbit (LEO) are exposed to atomic oxygen (AO). It is thus important to develop an environmentally friendly material that can be applied to the outer surfaces of spacecraft in LEO to protect them against AO. Carbonized material containing electroconductive graphitic microlayers is promising for this purpose. We produced carbonized lignin (CW) by separating wood in L-lactic acid and we investigated the AO erosion resistances of CW and CW containing Si. X-ray photoelectron spectroscopy (XPS) revealed that the O/C ratio increased on AO exposure. The CW sample without Si and CW samples containing 20% and 40% Si exhibited less erosion than CW samples containing 5% and 10% Si. XPS revealed that the presence of Si resulted in the formation of SiO2 on the sample surface. For CW with Si contents of 20% and 40%, the SiO2 coverage may be sufficiently large to prevent attack by AO.

  12. Chemical reactivity of hydrogen, nitrogen, and oxygen atoms at temperatures below 100 k

    Science.gov (United States)

    Mcgee, H. A., Jr.

    1973-01-01

    The synthesis of unusual compounds by techniques employing cryogenic cooling to retard their very extreme reactivity was investigated. Examples of such species that were studied are diimide (N2H2), cyclobutadiene (C4H4), cyclopropanone (C3H4O), oxirene (C2H2O), and many others. Special purpose cryogenically cooled inlet arrangements were designed such that the analyses incurred no warm-up of the cold, and frequently explosively unstable, compounds. Controlled energy electron impact techniques were used to measure critical potentials and to develop the molecular energetics and thermodynamics of these molecules and to gain some insight into their kinetic characteristics as well. Three and four carbon strained ring molecules were studied. Several reactions of oxygen and hydrogen atoms with simple molecules of H, N, C, and O in hard quench configurations were studied. And the quench stabilization of BH3 was explored as a model system in cryochemistry.

  13. Atomic Oxygen Treatment Technique for Removal of Smoke Damage from Paintings

    Science.gov (United States)

    Rutledge, S. K.; Banks, B. A.

    1997-01-01

    Soot deposits that can accumulate on surfaces of a painting during a fire can be difficult to clean from some types of paintings without damaging the underlying paint layers. A non-contact technique has been developed which can remove the soot by allowing a gas containing atomic oxygen to flow over the surface and chemically react with the soot to form carbon monoxide and carbon dioxide. The reaction is limited to the surface, so the underlying paint is not touched. The process can be controlled so that the cleaning can be stopped once the paint surface is reached. This paper describes the smoke exposure and cleaning of untreated canvas, acrylic gesso, and sections of an oil painting using this technique. The samples were characterized by optical microscopy and reflectance spectroscopy.

  14. Oxygen concentration of EuBa2Cu307-x in vacuum: an atom probe study II

    International Nuclear Information System (INIS)

    Camus, P.P.; Elswijk, H.B.; Melmed, A.J.

    1989-01-01

    Atom Probe mass analysis using a wide acceptance angle instrument was used to measure the oxygen content and metallic stoichiometry of the near-surface region of the superconducting ceramic oxide EuBa 2 Cu 3 0 7-x (x≅0.1) after exposure at 85K and room temperature in vacuum. An oxygen depleted layer formed by H 2 imaging must be removed before bulk concentrations are obtained. Room temperature holding in vacuum overnight then depletes the surface of oxygen to a depth of greater than 4 layers (1.2 nm). However, after holding the specimen at 85K for up to 3h either with or without an applied field, no detectable loss of oxygen occurred. Therefore, for short time vacuum exposures at liquid nitrogen temperatures and below, no oxygen loss is expected, however, significant oxygen loss occurs for 18h vacuum exposures at room temperature

  15. A new look on the formation and interaction of elementary particles in atoms and molecules including photoreaction centers.

    Science.gov (United States)

    Shuvalov, V A

    2008-01-01

    Possible role of high-energy bosons (virtual photons) is discussed with respect to the formation of elementary particles and their interaction in nucleus, many-electron atom, and molecule including photoreaction centers. Using properties of the photons, the expressions for calculations of the mass of particles, of the energy of electrons and their distances from nucleus in atoms, of the dissociation energy and distances between atoms in molecules were found which give results in good agreement with experimental data. This approach allows doing calculations in rather complicated system like photoreaction centers in which chlorophyll molecules form electron transfer chain.

  16. Single Atomic Iron Catalysts for Oxygen Reduction in Acidic Media: Particle Size Control and Thermal Activation

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Hanguang; Hwang, Sooyeon; Wang, Maoyu; Feng, Zhenxing; Karakalos, Stavros; Luo, Langli; Qiao, Zhi; Xie, Xiaohong; Wang, Chongmin; Su, Dong; Shao, Yuyan; Wu, Gang (BNL); (Oregon State U.); (SC); (PNNL); (Buffalo)

    2017-09-26

    It remains a grand challenge to replace platinum group metal (PGM) catalysts with earth-abundant materials for the oxygen reduction reaction (ORR) in acidic media, which is crucial for large-scale deployment of proton exchange membrane fuel cells (PEMFCs). Here, we report a high-performance atomic Fe catalyst derived from chemically Fe-doped zeolitic imidazolate frameworks (ZIFs) by directly bonding Fe ions to imidazolate ligands within 3D frameworks. Although the ZIF was identified as a promising precursor, the new synthetic chemistry enables the creation of well-dispersed atomic Fe sites embedded into porous carbon without the formation of aggregates. The size of catalyst particles is tunable through synthesizing Fe-doped ZIF nanocrystal precursors in a wide range from 20 to 1000 nm followed by one-step thermal activation. Similar to Pt nanoparticles, the unique size control without altering chemical properties afforded by this approach is able to increase the number of PGM-free active sites. The best ORR activity is measured with the catalyst at a size of 50 nm. Further size reduction to 20 nm leads to significant particle agglomeration, thus decreasing the activity. Using the homogeneous atomic Fe model catalysts, we elucidated the active site formation process through correlating measured ORR activity with the change of chemical bonds in precursors during thermal activation up to 1100 °C. The critical temperature to form active sites is 800 °C, which is associated with a new Fe species with a reduced oxidation number (from Fe3+ to Fe2+) likely bonded with pyridinic N (FeN4) embedded into the carbon planes. Further increasing the temperature leads to continuously enhanced activity, linked to the rise of graphitic N and Fe–N species. The new atomic Fe catalyst has achieved respectable ORR activity in challenging acidic media (0.5 M H2SO4), showing a half-wave potential of 0.85 V vs RHE and leaving only a 30 mV gap with Pt/C (60 μgPt/cm2). Enhanced stability

  17. Oxygen atom transfer reactions from Mimoun complexes to sulfides and sulfoxides. A bonding evolution theory analysis.

    Science.gov (United States)

    González-Navarrete, Patricio; Sensato, Fabricio R; Andrés, Juan; Longo, Elson

    2014-08-07

    In this research, a comprehensive theoretical investigation has been conducted on oxygen atom transfer (OAT) reactions from Mimoun complexes to sulfides and sulfoxides. The joint use of the electron localization function (ELF) and Thom's catastrophe theory (CT) provides a powerful tool to analyze the evolution of chemical events along a reaction pathway. The progress of the reaction has been monitored by structural stability domains from ELF topology while the changes between them are controlled by turning points derived from CT which reveal that the reaction mechanism can be separated in several steps: first, a rupture of the peroxo O1-O2 bond, then a rearrangement of lone pairs of the sulfur atom occurs and subsequently the formation of S-O1 bond. The OAT process involving the oxidation of sulfides and sulfoxides is found to be an asynchronous process where O1-O2 bond breaking and S-O1 bond formation processes do not occur simultaneously. Nucleophilic/electrophilic characters of both dimethyl sulfide and dimethyl sulfoxide, respectively, are sufficiently described by our results, which hold the key to unprecedented insight into the mapping of electrons that compose the bonds while the bonds change.

  18. Quartz-crystal microbalance study for characterizing atomic oxygen in plasma ash tools

    International Nuclear Information System (INIS)

    Srivastava, A.K.; Sakthivel, P.

    2001-01-01

    This article discusses the measurement of atomic oxygen (AO) concentrations in an oxygen discharge using a quartz-crystal microbalance (QCM). This is a device that has been previously used for monitoring thin-film deposition, among several other applications. The sensor consists of a silver-coated quartz crystal that oscillates at its specific resonant frequency (typically, at about 6 MHz), which is dependent on the mass of the crystal. When exposed to AO, the silver oxidizes rapidly, resulting in a change in its mass, and a consequent change in this frequency. The frequency change is measured with a counter, and when plotted versus time, it may be fit to a standard diffusion-limited oxide-growth model. This model is then used to determine the specific AO flux to the crystal, and by inference, to the wafer. Initial results of QCM measurements in the FusionGemini Plasma Asher (GPL TM -standard downstream microwave asher) and FusionGemini Enhanced Strip (GES TM -fluorine compatible enhanced strip asher) are presented in this article. The results indicate AO densities of the order of 10 12 cm -3 on the wafer. There is a marked increase in AO concentration with addition of nitrogen into the plasma, and a decrease in AO concentration with increasing pressure at constant flow. Effects of increasing the total plasma volume in the enhanced strip tool on AO production are discussed

  19. Role of mobile interstitial oxygen atoms in defect processes in oxides: Interconversion between oxygen-associated defects in SiO2 glass

    International Nuclear Information System (INIS)

    Kajihara, Koichi; Hirano, Masahiro; Skuja, Linards; Hosono, Hideo

    2004-01-01

    The role of mobile interstitial oxygen atoms (O 0 ) in defect processes in oxides is demonstrated by interconversion between the oxygen dangling bond and the peroxy radical (POR) in SiO 2 glass. Superstoichiometric O 0 was created by F 2 laser photolysis of the interstitial O 2 . On annealing above 300 deg. C, O 0 migrated and converted the oxygen dangling bond to POR. Exposure to 5.0 eV light converted POR back to a pair of the oxygen dangling bond and O 0 (quantum yield: ∼0.1). These findings suggest that various defect processes typically occurring in SiO 2 glass at ∼300-500 deg. C are related to migration of O 0 , which exists in the glass network in the peroxy linkage form

  20. Voronoj-Dirichlet polyhedrons of uranium atoms and the rule of eighteen electrons in uranium oxygen-containing complexes

    International Nuclear Information System (INIS)

    Serezhkina, L.B.; Serezhkin, V.N.

    1996-01-01

    Potentiality of employing the Voronoj-Dirichlet model of interatomic interaction of uranyl compounds containing sulfate, phosphate, silicate-, carbonate- or nitrate-ions is analyzed. Average electron contribution of oxygen atom into valency shell of one uranium atom is defined by ligand nature and its coordination type, but it does not depend on uranium coordination number. It is shown that the model permits not only defining coordination number of complexing agent atom, but making a quantitative prediction of interrelation between composition, structure and properties of not completely understood compounds. 7 refs., 1 tab

  1. On the relationship between the population of the fine structure levels of the ground electronic state of atomic oxygen and the translational temperature

    Science.gov (United States)

    Sharma, R.; Zygelman, B.; von Esse, F.; Dalgarno, A.

    1994-08-01

    Using a recent calculation of the cross sections for fine structure changing collisions during an encounter between two oxygen atoms in the ground electronic state, we determine the population of the fine structure levels of oxygen as a function of altitude for four model atmospheres representing conditions at 0 deg longitude, 45 deg latitude, at midday and midnight, and high and low solar and geomagnetic activity. We include the effect of electron impacts. The fine structure levels are shown to be in local thermodynamic equilibrium (LTE) at the local neutral atom translational temperature for altitudes up to 350 km and 400 km for midnight and midday, respectively, at low activity, and up to at least 600 km at high activity. At higher altitudes spotaneous emission causes deviation from LTE and overpopulates the lowest (J = 2) level at the expense of the other two levels.

  2. Effects of Contamination, UV Radiation, and Atomic Oxygen on ISS Thermal Control Materials

    Science.gov (United States)

    Visentine, Jim; Finckenor, Miria; Zwiener, Jim; Munafo, Paul (Technical Monitor)

    2001-01-01

    Thermal control surfaces on the International Space Station (ISS) have been tailored for optimum optical properties. The space environment, particularly contamination, ultraviolet (UV) radiation, and atomic oxygen (AO) may have a detrimental effect on these optical properties. These effects must be quantified for modeling and planning. Also of interest was the effect of porosity on the reaction to simulated space environment. Five materials were chosen for this study based on their use on ISS. The thermal control materials were Z-93 white coating, silverized Teflon, chromic acid anodized aluminum, sulfuric acid anodized aluminum, and 7075-T6 aluminum. Some of the samples were exposed to RTV 560 silicone; others were exposed to Tefzel offgassing products. Two samples of Z-93 were not exposed to contamination as clean "controls". VUV radiation was used to photo-fix the contaminant to the material surface, then the samples were exposed to AO. All samples were exposed to 1000 equivalent sun-hours (ESH) of vacuum ultraviolet radiation (VUV) at the AZ Technology facility and a minimum of 1.5 x 10(exp 20) atoms/sq cm of AO at Marshall Space Flight Center. Half of the samples were exposed to an additional 2000 ESH of VUV at Huntington Beach prior to sent to AZ Technology. Darkening of the Z-93 white coating was noted after VUV exposure. AO exposure did bleach the Z-93 but not back to its original brightness. Solar absorptance curves show the degradation due to contamination and VUV and the recovery with AO exposure. More bleaching was noted on the Tefzel-contaminated samples than with the RTV-contaminated samples.

  3. Magnetism, Spin Texture, and In-Gap States: Atomic Specialization at the Surface of Oxygen-Deficient SrTiO_{3}.

    Science.gov (United States)

    Altmeyer, Michaela; Jeschke, Harald O; Hijano-Cubelos, Oliver; Martins, Cyril; Lechermann, Frank; Koepernik, Klaus; Santander-Syro, Andrés F; Rozenberg, Marcelo J; Valentí, Roser; Gabay, Marc

    2016-04-15

    Motivated by recent spin- and angular-resolved photoemission (SARPES) measurements of the two-dimensional electronic states confined near the (001) surface of oxygen-deficient SrTiO_{3}, we explore their spin structure by means of ab initio density functional theory (DFT) calculations of slabs. Relativistic nonmagnetic DFT calculations display Rashba-like spin winding with a splitting of a few meV and when surface magnetism on the Ti ions is included, bands become spin-split with an energy difference ∼100  meV at the Γ point, consistent with SARPES findings. While magnetism tends to suppress the effects of the relativistic Rashba interaction, signatures of it are still clearly visible in terms of complex spin textures. Furthermore, we observe an atomic specialization phenomenon, namely, two types of electronic contributions: one is from Ti atoms neighboring the oxygen vacancies that acquire rather large magnetic moments and mostly create in-gap states; another comes from the partly polarized t_{2g} itinerant electrons of Ti atoms lying further away from the oxygen vacancy, which form the two-dimensional electron system and are responsible for the Rashba spin winding and the spin splitting at the Fermi surface.

  4. Atoms

    International Nuclear Information System (INIS)

    Fuchs, Alain; Villani, Cedric; Guthleben, Denis; Leduc, Michele; Brenner, Anastasios; Pouthas, Joel; Perrin, Jean

    2014-01-01

    Completed by recent contributions on various topics (atoms and the Brownian motion, the career of Jean Perrin, the evolution of atomic physics since Jean Perrin, relationship between scientific atomism and philosophical atomism), this book is a reprint of a book published at the beginning of the twentieth century in which the author addressed the relationship between atomic theory and chemistry (molecules, atoms, the Avogadro hypothesis, molecule structures, solutes, upper limits of molecular quantities), molecular agitation (molecule velocity, molecule rotation or vibration, molecular free range), the Brownian motion and emulsions (history and general features, statistical equilibrium of emulsions), the laws of the Brownian motion (Einstein's theory, experimental control), fluctuations (the theory of Smoluchowski), light and quanta (black body, extension of quantum theory), the electricity atom, the atom genesis and destruction (transmutations, atom counting)

  5. Polydimethylsiloxane/silica hybrid coatings protecting Kapton from atomic oxygen attack

    International Nuclear Information System (INIS)

    Duo Shuwang; Li Meishuan; Zhu Ming; Zhou Yanchun

    2008-01-01

    In order to improve the erosion resistance of spacecraft materials in atomic oxygen (AO) environments, a kind of polydimethylsiloxane (PDMS)/SiO 2 hybrid coatings has been prepared on Kapton by a sol-gel process. The tetraethoxysilane (TEOS) and silanol-terminated PDMS were used as two main precursors. The content of inorganic silica in the PDMS/SiO 2 hybrid coatings varied, achieving a maximum value of 40 wt% under the addition of a coupling agent. The PDMS/SiO 2 hybrid coatings possessed good adhesion and flexibility, improved thermal stability. The AO resistance of the hybrid coatings was investigated by exposure tests in the AO simulator. The results showed that the hybrid coatings had excellent AO resistance. The PDMS/SiO 2 (20 wt%) hybrid coating had an erosion rate two orders of magnitude slower than the polyimide film, and did not crack during AO exposure. The coating performance was also found to improve with increasing SiO 2 content

  6. Simple-Cubic Carbon Frameworks with Atomically Dispersed Iron Dopants toward High-Efficiency Oxygen Reduction.

    Science.gov (United States)

    Wang, Biwei; Wang, Xinxia; Zou, Jinxiang; Yan, Yancui; Xie, Songhai; Hu, Guangzhi; Li, Yanguang; Dong, Angang

    2017-03-08

    Iron and nitrogen codoped carbons (Fe-N-C) have attracted increasingly greater attention as electrocatalysts for oxygen reduction reaction (ORR). Although challenging, the synthesis of Fe-N-C catalysts with highly dispersed and fully exposed active sites is of critical importance for improving the ORR activity. Here, we report a new type of graphitic Fe-N-C catalysts featuring numerous Fe single atoms anchored on a three-dimensional simple-cubic carbon framework. The Fe-N-C catalyst, derived from self-assembled Fe 3 O 4 nanocube superlattices, was prepared by in situ ligand carbonization followed by acid etching and ammonia activation. Benefiting from its homogeneously dispersed and fully accessible active sites, highly graphitic nature, and enhanced mass transport, our Fe-N-C catalyst outperformed Pt/C and many previously reported Fe-N-C catalysts for ORR. Furthermore, when used for constructing the cathode for zinc-air batteries, our Fe-N-C catalyst exhibited current and power densities comparable to those of the state-of-the-art Pt/C catalyst.

  7. Carbon fiber CVD coating by carbon nanostructured for space materials protection against atomic oxygen

    Science.gov (United States)

    Pastore, Roberto; Bueno Morles, Ramon; Micheli, Davide

    2016-07-01

    In recent years, the emphasis in space research has been shifting from space exploration to commercialization of space. In order to utilize space for commercial purposes it is necessary to understand the low earth orbit (LEO) space environment where most of the activities will be carried out. The studies on the LEO environment are mainly focused towards understanding the effect of atomic oxygen (AO) on spacecraft materials. In the first few shuttle flights, materials looked frosty because they were actually being eroded and textured: AO reacts with organic materials on spacecraft exteriors, gradually damaging them. When a spacecraft travel in LEO (where crewed vehicles and the International Space Station fly), the AO formed from the residual atmosphere can react with the spacecraft surfaces, causing damage to the vehicle. Polymers are widely used in space vehicles and systems as structural materials, thermal blankets, thermal control coatings, conformal coatings, adhesives, lubricants, etc. Exposure of polymers and composites to the space environment may result in different detrimental effects via modification of their chemical, electrical, thermal, optical and mechanical properties as well as surface erosion. The major degradation effects in polymers are due to their exposure to atomic oxygen, vacuum ultraviolet and synergistic effects, which result in different damaging effects by modification of the polymer's chemical properties. In hydrocarbon containing polymers the main AO effect is the surface erosion via chemical reactions and the release of volatile reaction products associated with the mass loss. The application of a thin protective coating to the base materials is one of the most commonly used methods of preventing AO degradation. The purpose is to provide a barrier between base material and AO environment or, in some cases, to alter AO reactions to inhibit its diffusion. The effectiveness of a coating depends on its continuity, porosity, degree of

  8. In situ atomic-scale observation of oxygen-driven core-shell formation in Pt3Co nanoparticles.

    Science.gov (United States)

    Dai, Sheng; You, Yuan; Zhang, Shuyi; Cai, Wei; Xu, Mingjie; Xie, Lin; Wu, Ruqian; Graham, George W; Pan, Xiaoqing

    2017-08-07

    The catalytic performance of core-shell platinum alloy nanoparticles is typically superior to that of pure platinum nanoparticles for the oxygen reduction reaction in fuel cell cathodes. Thorough understanding of core-shell formation is critical for atomic-scale design and control of the platinum shell, which is known to be the structural feature responsible for the enhancement. Here we reveal details of a counter-intuitive core-shell formation process in platinum-cobalt nanoparticles at elevated temperature under oxygen at atmospheric pressure, by using advanced in situ electron microscopy. Initial segregation of a thin platinum, rather than cobalt oxide, surface layer occurs concurrently with ordering of the intermetallic core, followed by the layer-by-layer growth of a platinum shell via Ostwald ripening during the oxygen annealing treatment. Calculations based on density functional theory demonstrate that this process follows an energetically favourable path. These findings are expected to be useful for the future design of structured platinum alloy nanocatalysts.Core-shell platinum alloy nanoparticles are promising catalysts for oxygen reduction, however a deeper understanding of core-shell formation is still required. Here the authors report oxygen-driven formation of core-shell Pt 3 Co nanoparticles, seen at the atomic scale with in situ electron microscopy at ambient pressure.

  9. Active packaging of chicken meats with modified atmosphere including oxygen scavengers.

    Science.gov (United States)

    Demirhan, B; Candoğan, K

    2016-10-19

    The effects of modified atmosphere packaging (MAP-70% CO 2 /30%N 2 ) and iron-based oxygen scavengers (OS) with various absorption capacities (Ageless ® ss100, ss300, and ss500) as an active packaging system on microbiological and oxidative changes in chicken thigh meats were evaluated during refrigerated storage (4°C) for 19 d at 3-day intervals. Total aerobic mesophilic bacteria counts exceeded the acceptability limit at d 7 in the control group without MAP (AIR), and at d 19 in MAP and OS containing samples. OS utilization resulted in around 1.5 and 1.0 log unit reductions in Pseudomonas spp. counts at d 7 and d 10 of storage, respectively, as compared with AIR and MAP groups (P < 0.05). MAP and OS groups had fewer (P < 0.05) coliform counts than did the AIR group, with an approximately 1.0 log reduction observed at d 10. Although in some cases OS utilization resulted in lower TBARS values and carbonyl and sulphydryl contents, particularly during later stages of refrigerated storage as compared to AIR and MAP groups, in general, these effects were not always apparent. The results of this study suggested that MAP suppressed microbiological growth and retarded lipid and protein oxidation in chicken thigh meats, with a 9-day shelf-life extention with insignificant effects of OS. © 2016 Poultry Science Association Inc.

  10. Development of a high flow source of energetic oxygen atoms for material degradation studies. [of Space Shuttles in low earth orbit environments

    Science.gov (United States)

    Caledonia, G. E.; Krech, R. H.

    1985-01-01

    A technique for the generation, in the laboratory, of thermally 'cold', high flux of energetic oxygen atoms is presented. The flux of nearly mono-energetic oxygen atoms is obtained after a laser-induced breakdown of oxygen molecules followed by a rapid expansion of the recombining plasma. The experimental apparatus, the optical and spectral measurements, the O-atom source characterization, and the material degradation studies are discussed. Average oxygen atom velocities of about 5 to 13 km/s are measured with an estimated flux of 10 to the 18th per pulse, over pulse durations of several microseconds. The flow of the O2 gas for about 200 microseconds before applying the laser pulse is found to give best results. It is also found that the energetic O-atom irradiation of sample targets such as Al, Fe, and polyethylene, induces mass removal. In addition, spectral scans of the radiation reveals the existence of two main spectral subsets.

  11. Oxygen-driving and atomized mucosolvan inhalation combined with holistic nursing in the treatment of children severe bronchial pneumonia.

    Science.gov (United States)

    Yang, Fang

    2015-07-01

    This paper aimed to discuss the method, effect and safety of oxygen-driving and atomized Mucosolvan inhalation combined with holistic nursing in the treatment of children severe bronchial pneumonia. Totally 90 children with severe bronchial pneumonia who were treated in our hospital from March 2013 to November 2013 were selected as the research objects. Based on randomized controlled principle, those children were divided into control group, test group I and test group II according to the time to enter the hospital, 30 in each group. Patients in control group was given conventional therapy; test group I was given holistic nursing combined with conventional therapy; test group II was given oxygen-driving and atomized Mucosolvan inhalation combined with holistic nursing on the basis of conventional therapy. After test, the difference of main symptoms in control group, test group I and II was of no statistical significance (P>0.05). Test group II was found with the best curative effect, secondary was test group I and control group was the last. It can be concluded that, oxygen-driving and atomized Mucosolvan inhalation combined with holistic nursing has certain effect in the treatment of children severe bronchial pneumonia and is better than holistic nursing only.

  12. Oxygen-atom transfer chemistry and thermolytic properties of a di-tert-butylphosphate-ligated Mn4O4 cubane.

    Science.gov (United States)

    Van Allsburg, Kurt M; Anzenberg, Eitan; Drisdell, Walter S; Yano, Junko; Tilley, T Don

    2015-03-16

    [Mn4O4{O2P(OtBu)2}6] (1), an Mn4O4 cubane complex combining the structural inspiration of the photosystem II oxygen-evolving complex with thermolytic precursor ligands, was synthesized and fully characterized. Core oxygen atoms within complex 1 are transferred upon reaction with an oxygen-atom acceptor (PEt3), to give the butterfly complex [Mn4O2{O2P(OtBu)2}6(OPEt3)2]. The cubane structure is restored by reaction of the latter complex with the O-atom donor PhIO. Complex 1 was investigated as a precursor to inorganic Mn metaphosphate/pyrophosphate materials, which were studied by X-ray absorption spectroscopy to determine the fate of the Mn4O4 unit. Under the conditions employed, thermolyses of 1 result in reduction of the manganese to Mn(II) species. Finally, the related butterfly complex [Mn4O2{O2P(pin)}6(bpy)2] (pin = pinacolate) is described. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Ab initio R1 mechanism of photostimulated oxygen isotope exchange reaction on a defect TiO2 surface: The case of terminal oxygen atom exchange

    Science.gov (United States)

    Kevorkyants, Ruslan; Sboev, Mikhail. N.; Chizhov, Yuri V.

    2017-05-01

    Based on density functional theory we propose R1 mechanism of photostimulated oxygen isotope exchange (POIEx) reaction between 16O18O and terminal oxygen atom of a defect TiO2 surface, which is modeled by amorphous Ti8O16 nanocluster in excited S1 electronic state. The proposed mechanism involves four adsorption intermediates and five transition states. The computed activation energy of the POIEx equals 0.24 eV. The computed g-tensors of the predicted ozonide O3- chemisorption species match well EPR data on O2 adsorption on UV-irradiated nanocrystalline TiO2. This match serves a mean of justification of the proposed R1 mechanism of the POIEx reaction. In addition, it is found that the proposed R1 POIEx reaction's mechanism differs from R1 mechanism of thermo-assisted OIEx reaction on a surface of supported vanadium oxide catalyst VOx/TiO2 reported earlier.

  14. Ab initio R1 mechanism of photostimulated oxygen isotope exchange reaction on a defect TiO{sub 2} surface: The case of terminal oxygen atom exchange

    Energy Technology Data Exchange (ETDEWEB)

    Kevorkyants, Ruslan, E-mail: ruslan.kevorkyants@gmail.com; Sboev, Mikhail N.; Chizhov, Yuri V.

    2017-05-01

    Highlights: • DFT R1 mechanism of photostimulated oxygen isotope exchange between {sup 16}O{sup 18}O and terminal oxygen atom of a defect surface of nanocrystalline TiO{sub 2} is proposed. • The mechanism involves four adsorption intermediates and five transition states. • Activation energy of the reaction is 0.24 eV. • G-tensors of O{sub 3}{sup −} intermediates match EPR data on O{sub 2} adsorbed on UV-irradiated TiO{sub 2} surface. - Abstract: Based on density functional theory we propose R1 mechanism of photostimulated oxygen isotope exchange (POIEx) reaction between {sup 16}O{sup 18}O and terminal oxygen atom of a defect TiO{sub 2} surface, which is modeled by amorphous Ti{sub 8}O{sub 16} nanocluster in excited S{sup 1} electronic state. The proposed mechanism involves four adsorption intermediates and five transition states. The computed activation energy of the POIEx equals 0.24 eV. The computed g-tensors of the predicted ozonide O{sub 3}{sup −} chemisorption species match well EPR data on O{sub 2} adsorption on UV-irradiated nanocrystalline TiO{sub 2}. This match serves a mean of justification of the proposed R1 mechanism of the POIEx reaction. In addition, it is found that the proposed R1 POIEx reaction’s mechanism differs from R1 mechanism of thermo-assisted OIEx reaction on a surface of supported vanadium oxide catalyst VO{sub x}/TiO{sub 2} reported earlier.

  15. Effect of Solar Exposure on the Atomic Oxygen Erosion of Hubble Space Telescope Aluminized-Teflon Thermal Shields

    Science.gov (United States)

    Guo, Aobo; Ashmead, Claire C.; deGroh, Kim K.

    2012-01-01

    When exposed to low Earth orbital (LEO) environment, external spacecraft materials degrade due to radiation, thermal cycling, micrometeoroid and debris impacts, and atomic oxygen (AO) interaction. Collisions between AO and spacecraft can result in oxidation of external spacecraft surface materials, which can lead to erosion and severe structural and/or optical property deterioration. It is therefore essential to understand the AO erosion yield (Ey), the volume loss per incident oxygen atom (cu cm/atom), of polymers to assure durability of spacecraft materials. The objective of this study was to determine whether solar radiation exposure can increase the rate of AO erosion of polymers in LEO. The material studied was a section of aluminized-Teflon (DuPont) fluorinated ethylene propylene (Al-FEP) thermal shield exposed to space on the Hubble Space Telescope (HST) for 8.25 years. Retrieved samples were sectioned from the circular thermal shield and exposed to ground laboratory thermal energy AO. The results indicate that the average Ey of the solar facing HST Al-FEP was 1.9 10(exp -24)cu cm/atom, while the average Ey of the anti-solar HST Al-FEP was 1.5 10(exp -24)cu cm/atom. The Ey of the pristine samples was 1.6- 1.7 10(exp -24)cu cm/atom. These results indicate that solar exposure affects the post-flight erosion rate of FEP in a plasma asher. Therefore, it likely affects the erosion rate while in LEO.

  16. Producing high-accuracy lattice models from protein atomic coordinates including side chains.

    Science.gov (United States)

    Mann, Martin; Saunders, Rhodri; Smith, Cameron; Backofen, Rolf; Deane, Charlotte M

    2012-01-01

    Lattice models are a common abstraction used in the study of protein structure, folding, and refinement. They are advantageous because the discretisation of space can make extensive protein evaluations computationally feasible. Various approaches to the protein chain lattice fitting problem have been suggested but only a single backbone-only tool is available currently. We introduce LatFit, a new tool to produce high-accuracy lattice protein models. It generates both backbone-only and backbone-side-chain models in any user defined lattice. LatFit implements a new distance RMSD-optimisation fitting procedure in addition to the known coordinate RMSD method. We tested LatFit's accuracy and speed using a large nonredundant set of high resolution proteins (SCOP database) on three commonly used lattices: 3D cubic, face-centred cubic, and knight's walk. Fitting speed compared favourably to other methods and both backbone-only and backbone-side-chain models show low deviation from the original data (~1.5 Å RMSD in the FCC lattice). To our knowledge this represents the first comprehensive study of lattice quality for on-lattice protein models including side chains while LatFit is the only available tool for such models.

  17. Statistical analysis of thermospheric gravity waves from Fabry-Perot Interferometer measurements of atomic oxygen

    Directory of Open Access Journals (Sweden)

    E. A. K. Ford

    2008-02-01

    Full Text Available Data from the Fabry-Perot Interferometers at KEOPS (Sweden, Sodankylä (Finland, and Svalbard (Norway, have been analysed for gravity wave activity on all the clear nights from 2000 to 2006. A total of 249 nights were available from KEOPS, 133 from Sodankylä and 185 from the Svalbard FPI. A Lomb-Scargle analysis was performed on each of these nights to identify the periods of any wave activity during the night. Comparisons between many nights of data allow the general characteristics of the waves that are present in the high latitude upper thermosphere to be determined. Comparisons were made between the different parameters: the atomic oxygen intensities, the thermospheric winds and temperatures, and for each parameter the distribution of frequencies of the waves was determined. No dependence on the number of waves on geomagnetic activity levels, or position in the solar cycle, was found. All the FPIs have had different detectors at various times, producing different time resolutions of the data, so comparisons between the different years, and between data from different sites, showed how the time resolution determines which waves are observed. In addition to the cutoff due to the Nyquist frequency, poor resolution observations significantly reduce the number of short-period waves (<1 h period that may be detected with confidence. The length of the dataset, which is usually determined by the length of the night, was the main factor influencing the number of long period waves (>5 h detected. Comparisons between the number of gravity waves detected at KEOPS and Sodankylä over all the seasons showed a similar proportion of waves to the number of nights used for both sites, as expected since the two sites are at similar latitudes and therefore locations with respect to the auroral oval, confirming this as a likely source region. Svalbard showed fewer waves with short periods than KEOPS data for a season when both had the same time resolution data

  18. Numerical simulation of physicochemical interactions between oxygen atom and phosphatidylcholine due to direct irradiation of atmospheric pressure nonequilibrium plasma to biological membrane with quantum mechanical molecular dynamics

    Science.gov (United States)

    Uchida, Satoshi; Yoshida, Taketo; Tochikubo, Fumiyoshi

    2017-10-01

    Plasma medicine is one of the most attractive applications using atmospheric pressure nonequilibrium plasma. With respect to direct contact of the discharge plasma with a biological membrane, reactive oxygen species play an important role in induction of medical effects. However, complicated interactions between the plasma radicals and membrane have not been understood well. In the present work, we simulated elemental processes at the first stage of physicochemical interactions between oxygen atom and phosphatidylcholine using the quantum mechanical molecular dynamics code in a general software AMBER. The change in the above processes was classified according to the incident energy of oxygen atom. At an energy of 1 eV, the abstraction of a hydrogen atom and recombination to phosphatidylcholine were simultaneously occurred in chemical attachment of incident oxygen atom. The exothermal energy of the reaction was about 80% of estimated one based on the bond energies of ethane. An oxygen atom over 10 eV separated phosphatidylcholine partially. The behaviour became increasingly similar to physical sputtering. The reaction probability of oxygen atom was remarkably high in comparison with that of hydrogen peroxide. These results suggest that we can uniformly estimate various physicochemical dynamics of reactive oxygen species against membrane lipids.

  19. Adsorption Energies of Carbon, Nitrogen, and Oxygen Atoms on the Low-temperature Amorphous Water Ice: A Systematic Estimation from Quantum Chemistry Calculations

    Science.gov (United States)

    Shimonishi, Takashi; Nakatani, Naoki; Furuya, Kenji; Hama, Tetsuya

    2018-03-01

    We propose a new simple computational model to estimate the adsorption energies of atoms and molecules to low-temperature amorphous water ice, and we present the adsorption energies of carbon (3 P), nitrogen (4 S), and oxygen (3 P) atoms based on quantum chemistry calculations. The adsorption energies were estimated to be 14,100 ± 420 K for carbon, 400 ± 30 K for nitrogen, and 1440 ± 160 K for oxygen. The adsorption energy of oxygen is consistent with experimentally reported values. We found that the binding of a nitrogen atom is purely physisorption, while that of a carbon atom is chemisorption, in which a chemical bond to an O atom of a water molecule is formed. That of an oxygen atom has a dual character, with both physisorption and chemisorption. The chemisorption of atomic carbon also implies the possibility of further chemical reactions to produce molecules bearing a C–O bond, though this may hinder the formation of methane on water ice via sequential hydrogenation of carbon atoms. These properties would have a large impact on the chemical evolution of carbon species in interstellar environments. We also investigated the effects of newly calculated adsorption energies on the chemical compositions of cold dense molecular clouds with the aid of gas-ice astrochemical simulations. We found that abundances of major nitrogen-bearing molecules, such as N2 and NH3, are significantly altered by applying the calculated adsorption energy, because nitrogen atoms can thermally diffuse on surfaces, even at 10 K.

  20. The emission of oxygen green line and density of O atom determined by using ISUAL and SABER measurements

    Directory of Open Access Journals (Sweden)

    H. Gao

    2012-04-01

    Full Text Available Emissions of the 557.7 nm green line airglow observed by the ISUAL (Imager of Sprites and Upper Atmospheric Lightning instrument on board the FORMOSAT-2 satellite in May and November 2008 are studied here to derive the density distributions of the atomic oxygen by using atmospheric parameters from MSISE-00 model and TIMED (Thermosphere Ionosphere Mesosphere Energetics and Dynamics/SABER (Sounding of the Atmosphere using Broadband Emission Radiometry measurements. The May observations were made in 10 days from a fixed orbit of longitude (100° E with the results showing emission rate and O atom density both peaked at heights of about 90 km over 10° to 20° latitudes in the Northern Hemisphere (NH. In the Southern Hemisphere (SH, the emission rate and density of O atom are both low compared with those in NH. In November, the observations were made as the satellite traveled over all 14 orbits around the earth, covering all longitudes and latitudes of 25° S–45° N. Strong peaks of emission rates and O atoms are found at heights of about 95 km in the mid-latitudes in both hemispheres. In the equator, the airglow layer has a weaker emission rate but with higher altitude compared with those of mid-latitudes. In the lower and upper mesosphere at heights below 85 km and above 105 km, there are more O atoms in the equatorial regions than in the mid-latitudes. And there is a good correlation between the O atom and the temperature structure. A comparison with O atom distribution derived from OH airglow observed by TIMED/SABER at about the same time shows similar results.

  1. The Materials Chemistry of Atomic Oxygen with Applications to Anisotropic Etching of Submicron Structures in Microelectronics and the Surface Chemistry Engineering of Porous Solids

    Science.gov (United States)

    Koontz, Steve L.; Leger, Lubert J.; Wu, Corina; Cross, Jon B.; Jurgensen, Charles W.

    1994-01-01

    Neutral atomic oxygen is the most abundant component of the ionospheric plasma in the low Earth orbit environment (LEO; 200 to 700 kilometers altitude) and can produce significant degradation of some spacecraft materials. In order to produce a more complete understanding of the materials chemistry of atomic oxygen, the chemistry and physics of O-atom interactions with materials were determined in three radically different environments: (1) The Space Shuttle cargo bay in low Earth orbit (the EOIM-3 space flight experiment), (2) a high-velocity neutral atom beam system (HVAB) at Los Alamos National Laboratory (LANL), and (3) a microwave-plasma flowing-discharge system at JSC. The Space Shuttle and the high velocity atom beam systems produce atom-surface collision energies ranging from 0.1 to 7 eV (hyperthermal atoms) under high-vacuum conditions, while the flowing discharge system produces a 0.065 eV surface collision energy at a total pressure of 2 Torr. Data obtained in the three different O-atom environments referred to above show that the rate of O-atom reaction with polymeric materials is strongly dependent on atom kinetic energy, obeying a reactive scattering law which suggests that atom kinetic energy is directly available for overcoming activation barriers in the reaction. General relationships between polymer reactivity with O atoms and polymer composition and molecular structure have been determined. In addition, vacuum ultraviolet photochemical effects have been shown to dominate the reaction of O atoms with fluorocarbon polymers. Finally, studies of the materials chemistry of O atoms have produced results which may be of interest to technologists outside the aerospace industry. Atomic oxygen 'spin-off' or 'dual use' technologies in the areas of anisotropic etching in microelectronic materials and device processing, as well as surface chemistry engineering of porous solid materials are described.

  2. Single Cobalt Atoms with Precise N-Coordination as Superior Oxygen Reduction Reaction Catalysts.

    Science.gov (United States)

    Yin, Peiqun; Yao, Tao; Wu, Yuen; Zheng, Lirong; Lin, Yue; Liu, Wei; Ju, Huanxin; Zhu, Junfa; Hong, Xun; Deng, Zhaoxiang; Zhou, Gang; Wei, Shiqiang; Li, Yadong

    2016-08-26

    A new strategy for achieving stable Co single atoms (SAs) on nitrogen-doped porous carbon with high metal loading over 4 wt % is reported. The strategy is based on a pyrolysis process of predesigned bimetallic Zn/Co metal-organic frameworks, during which Co can be reduced by carbonization of the organic linker and Zn is selectively evaporated away at high temperatures above 800 °C. The spherical aberration correction electron microscopy and extended X-ray absorption fine structure measurements both confirm the atomic dispersion of Co atoms stabilized by as-generated N-doped porous carbon. Surprisingly, the obtained Co-Nx single sites exhibit superior ORR performance with a half-wave potential (0.881 V) that is more positive than commercial Pt/C (0.811 V) and most reported non-precious metal catalysts. Durability tests revealed that the Co single atoms exhibit outstanding chemical stability during electrocatalysis and thermal stability that resists sintering at 900 °C. Our findings open up a new routine for general and practical synthesis of a variety of materials bearing single atoms, which could facilitate new discoveries at the atomic scale in condensed materials. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Rocket observation of atomic oxygen and night airglow: Measurement of concentration with an improved resonance fluorescence technique

    Directory of Open Access Journals (Sweden)

    K. Kita

    1996-02-01

    Full Text Available An improved resonant fluorescence instrument for measuring atomic oxygen concentration was developed to avoid the Doppler effect and the aerodynamic shock effect due to the supersonic motion of a rocket. The shock effect is reduced by adopting a sharp wedge-shaped housing and by scanning of the detector field of view to change the distance between the scattering volume and the surface of the housing. The scanning enables us to determine absolute values of atomic oxygen concentration from relative variation of the scattered light signal due to the self-absorption. The instrument was calibrated in the laboratory, and the numerical simulation reproduced the calibration result. Using the instrument, the altitude profile of atomic oxygen concentration was observed by a rocket experiment at Uchinoura (31°N on 28 January 1992. The data obtained from the rocket experiment were not perfectly free from the shock effect, but errors due to the effect were reduced by the data analysis procedure. The observed maximum concentration was 3.8× 1011 cm–3 at altitudes around 94 km. The systematic error is estimated to be less than ±0.7×1011 cm–3 and the relative random error is less than±0.07× 1011 cm–3at the same altitudes. The altitude profile of the OI 557.7-nm airglow was also observed in the same rocket experiment. The maximum volume emission rate was found to be 150 photons cm–3 s–1 at 94 km. The observed altitude profiles are compared with the MSIS model and other in situ observations.

  4. Controlled production of atomic oxygen and nitrogen in a pulsed radio-frequency atmospheric-pressure plasma

    Science.gov (United States)

    Dedrick, J.; Schröter, S.; Niemi, K.; Wijaikhum, A.; Wagenaars, E.; de Oliveira, N.; Nahon, L.; Booth, J. P.; O’Connell, D.; Gans, T.

    2017-11-01

    Radio-frequency driven atmospheric pressure plasmas are efficient sources for the production of reactive species at ambient pressure and close to room temperature. Pulsing the radio-frequency power input provides additional control over species production and gas temperature. Here, we demonstrate the controlled production of highly reactive atomic oxygen and nitrogen in a pulsed radio-frequency (13.56 MHz) atmospheric-pressure plasma, operated with a small 0.1 % air-like admixture (N2 /O2 at 4:1 ) through variations in the duty cycle. Absolute densities of atomic oxygen and nitrogen are determined through vacuum-ultraviolet absorption spectroscopy using the DESIRS beamline at the SOLEIL synchrotron coupled with a high resolution Fourier-transform spectrometer. The neutral-gas temperature is measured using nitrogen molecular optical emission spectroscopy. For a fixed applied-voltage amplitude (234 V), varying the pulse duty cycle from 10% to 100% at a fixed 10 kHz pulse frequency enables us to regulate the densities of atomic oxygen and nitrogen over the ranges of (0.18+/-0.03) –(3.7+/-0.1)× 1020 m-3 and (0.2+/-0.06) –(4.4+/-0.8) × 1019 m-3 , respectively. The corresponding 11 K increase in the neutral-gas temperature with increased duty cycle, up to a maximum of (314+/-4) K, is relatively small. This additional degree of control, achieved through regulation of the pulse duty cycle and time-averaged power, could be of particular interest for prospective biomedical applications.

  5. Reaction of atomic oxygen with alkanes. Regioselective alcohol formation on γ-radiolysis of liquid carbon dioxide solutions of alkanes

    International Nuclear Information System (INIS)

    Hori, A.; Takamuku, S.; Sakurai, H.

    1977-01-01

    Gamma-radiolysis of liquid carbon dioxide in the presence of cyclohexane, methylcyclohexane, and cis- or trans-decalin has been studied at 0 0 C. The main products were corresponding alcohols and carbonyl compounds. The oxidizing species from carbon dioxide apparently shows selective attack on C--H bonds of alkane in the order tertiary greater than secondary greater than primary. The observed tendency could be rationalized in terms of the reaction of ground state triplet oxygen atoms, O( 3 P), with alkane in liquid carbon dioxide. In the case of cis- and trans-decalin, highly configurational retention of decalol-9 was observed. The formation of a dimer of alkane was negligibly small. The rapid recombination of radical pairs initially formed by the reaction of O( 3 P) atoms with alkane in a solvent cage is proposed. In addition, the production of cyclohexanone from cyclohexanol is described

  6. Stable and solubilized active Au atom clusters for selective epoxidation of cis-cyclooctene with molecular oxygen

    Science.gov (United States)

    Qian, Linping; Wang, Zhen; Beletskiy, Evgeny V.; Liu, Jingyue; Dos Santos, Haroldo J.; Li, Tiehu; Rangel, Maria Do C.; Kung, Mayfair C.; Kung, Harold H.

    2017-03-01

    The ability of Au catalysts to effect the challenging task of utilizing molecular oxygen for the selective epoxidation of cyclooctene is fascinating. Although supported nanometre-size Au particles are poorly active, here we show that solubilized atomic Au clusters, present in ng ml-1 concentrations and stabilized by ligands derived from the oxidized hydrocarbon products, are active. They can be formed from various Au sources. They generate initiators and propagators to trigger the onset of the auto-oxidation reaction with an apparent turnover frequency of 440 s-1, and continue to generate additional initiators throughout the auto-oxidation cycle without direct participation in the cycle. Spectroscopic characterization suggests that 7-8 atom clusters are effective catalytically. Extension of work based on these understandings leads to the demonstration that these Au clusters are also effective in selective oxidation of cyclohexene, and that solubilized Pt clusters are also capable of generating initiators for cyclooctene epoxidation.

  7. Comparison of NO titration and fiber optics catalytic probes for determination of neutral oxygen atom concentration in plasmas and postglows

    International Nuclear Information System (INIS)

    Mozetic, Miran; Ricard, Andre; Babic, Dusan; Poberaj, Igor; Levaton, Jacque; Monna, Virginie; Cvelbar, Uros

    2003-01-01

    A comparative study of two different absolute methods NO titration and fiber optics catalytic probe (FOCP) for determination of neutral oxygen atom density is presented. Both methods were simultaneously applied for measurements of O density in a postglow of an Ar/O 2 plasma created by a surfatron microwave generator with the frequency of 2.45 GHz an adjustable output power between 30 and 160 W. It was found that the two methods gave similar results. The advantages of FOCP were found to be as follows: it is a nondestructive method, it enables real time measuring of the O density, it does not require any toxic gas, and it is much faster than NO titration. The advantage of NO titration was found to be the ability to measure O density in a large range of dissociation of oxygen molecules

  8. Acid-facilitated product release from a Mo(IV) center: relevance to oxygen atom transfer reactivity of molybdenum oxotransferases.

    Science.gov (United States)

    Li, Feifei; Talipov, Marat R; Dong, Chao; Bali, Sofia; Ding, Keying

    2018-03-01

    We report that pyridinium ions (HPyr + ) accelerate the conversion of [Tp*Mo IV OCl(OPMe 3 )] (1) to [Tp*Mo IV OCl(NCCH 3 )] (2) by 10 3 -fold, affording 2 in near-quantitative yield; Tp* = hydrotris(3,5-dimethyl-1-pyrazolyl)borate. This novel reactivity and the mechanism of this reaction were investigated in detail. The formation of 2 followed pseudo-first-order kinetics, with the observed pseudo-first-order rate constant (k obs ) linearly correlated with [HPyr + ]. An Eyring plot revealed that this HPyr + -facilitated reaction has a small positive value of ∆S ‡ indicative of a dissociative interchange (I d ) mechanism, different from the slower associative interchange (I a ) mechanism in the absence of HPyr + marked with a negative ∆S ‡ . Interestingly, log(k obs ) was found to be linearly correlated to the acidity of substituted pyridinium ions. This novel reactivity is further investigated using combined DFT and ab initio coupled cluster methods. Different reaction pathways, including I d , I a , and possible alternative routes in the absence or presence of HPyr + , were considered, and enthalpy and free energies were calculated for each pathway. Our computational results further underscored that the I d route is energetically favored in the presence of HPyr + , in contrast with the preferred I a -NNO pathway in the absence of HPyr + . Our computational results also revealed molecular-level details for the HPyr + -facilitated I d route. Specifically, HPyr + initially becomes hydrogen-bonded to the oxygen atom of the Mo(IV)-OPMe 3 moiety, which lowers the activation barrier for the Mo-OPMe 3 bond cleavage in a rate-limiting step to dissociate the OPMe 3 product. The implications of our results were discussed in the context of molybdoenzymes, particularly the reductive half-reaction of sulfite oxidase.

  9. Oxygen vacancy mediated enhanced photo-absorption from ZnO(0001) nanostructures fabricated by atom beam sputtering

    Energy Technology Data Exchange (ETDEWEB)

    Solanki, Vanaraj; Joshi, Shalik R.; Mishra, Indrani; Varma, Shikha, E-mail: shikha@iopb.res.in [Institute of Physics, Sachivalaya Marg, Bhubaneswar 751005 (India); Kabiraj, D.; Avasthi, D. K. [Inter University Accelerator Center, New Delhi 110067 (India); Mishra, N. C. [Department of Physics, Utkal University, Bhubaneswar 751004 (India)

    2016-08-07

    The nanoscale patterns created on the ZnO(0001) surfaces during atom beam irradiation have been investigated here for their photo absorption response. Preferential sputtering, during irradiation, promotes Zn-rich zones that serve as the nucleation centers for the spontaneous creation of nanostructures. Nanostructured surfaces with bigger (78 nm) nanodots, displaying hexagonal ordering and long ranged periodic behavior, show higher photo absorption and a ∼0.09 eV reduced bandgap. These nanostructures also demonstrate higher concentration of oxygen vacancies which are crucial for these results. The enhanced photo-response, as observed here, has been achieved in the absence of any dopant elements.

  10. Nanoscopic analysis of oxygen segregation at tilt boundaries in silicon ingots using atom probe tomography combined with TEM and ab initio calculations.

    Science.gov (United States)

    Ohno, Y; Inoue, K; Fujiwara, K; Kutsukake, K; Deura, M; Yonenaga, I; Ebisawa, N; Shimizu, Y; Inoue, K; Nagai, Y; Yoshida, H; Takeda, S; Tanaka, S; Kohyama, M

    2017-12-01

    We have developed an analytical method to determine the segregation levels on the same tilt boundaries (TBs) at the same nanoscopic location by a joint use of atom probe tomography and scanning transmission electron microscopy, and discussed the mechanism of oxygen segregation at TBs in silicon ingots in terms of bond distortions around the TBs. The three-dimensional distribution of oxygen atoms was determined at the typical small- and large-angle TBs by atom probe tomography with a low impurity detection limit (0.01 at.% on a TB plane) simultaneously with high spatial resolution (about 0.4 nm). The three-dimensional distribution was correlated with the atomic stress around the TBs; the stress at large-angle TBs was estimated by ab initio calculations based on atomic resolution scanning transmission electron microscopy data and that at small-angle TBs were calculated with the elastic theory based on dark-field transmission electron microscopy data. Oxygen atoms would segregate at bond-centred sites under tensile stress above about 2 GPa, so as to attain a more stable bonding network by reducing the local stress. The number of oxygen atoms segregating in a unit TB area N GB (in atoms nm -2 ) was determined to be proportional to both the number of the atomic sites under tensile stress in a unit TB area n bc and the average concentration of oxygen atoms around the TB [O i ] (in at.%) with N GB ∼ 50 n bc [O i ]. © 2017 The Authors Journal of Microscopy © 2017 Royal Microscopical Society.

  11. Development of a stable source of atomic oxygen with a pulsed high-voltage discharge and its application to crossed-beam reactions.

    Science.gov (United States)

    Lu, I-Chung; Huang, Wen-Jian; Chaudhuri, Chanchal; Chen, Wei-Kan; Lee, Shih-Huang

    2007-08-01

    To investigate the reactions of oxygen atoms with ethene and silane in a crossed-beam condition, we developed a stable, highly intense, and short-pulsed source of atomic oxygen with a transient high-voltage discharge. Mixtures of O(2) and He served as discharge media. Utilizing a crossed molecular-beam apparatus and direct vacuum-ultraviolet ionization, we measured the temporal profiles of oxygen atoms and the time-of-flight spectra of reaction products. With O(2) 3% seeded in He as a discharge medium, oxygen atoms might have a full width as small as 13.5 micros at half maximum at a location 193 mm downstream from the discharge region. Most population of oxygen atoms is in the ground state (3)P but some in the first excited state (1)D, depending on the concentration of precursor O(2). This discharge device analogously generates carbon, nitrogen, and fluorine atoms from precursors CO, N(2), and F(2), respectively.

  12. BODIPY-pyrene and perylene dyads as heavy atom-free singlet oxygen sensitizers

    KAUST Repository

    Filatov, Mikhail A.

    2018-02-23

    Dyads combining BODIPY as an electron acceptor and pyrene or perylene as electron donor subunits were prepared and studied their photophysical properties studied by steady-state and transient spectroscopy. Depending on the structure of the subunits and polarity of the media, the dyads show either bright fluorescence or photo-induced electron transfer (PeT) in solution. Charge-transfer (CT) states formed as a result of PeT and were found to yield triplet excited states of the BODIPY. In the presence of molecular oxygen, the dyads sensitize singlet oxygen (1O2) with quantum yields of up to 0.75.

  13. Atomic and electronic structures of carbon nanotube covalent connecting with graphene by oxygen molecular

    Science.gov (United States)

    Wei, Jianwei; Wei, Qiang; Ma, Zengwei; Zeng, Hui

    2016-02-01

    Based on density functional theories, we have investigated the nanostructure in which boron and nitrogen co-doped carbon nanotube (CNT)/graphene (GR) were connected by an oxygen molecular. The geometry structure and electronic properties of the system were calculated carefully. The band structures indicate that the impurity state of oxygen transfer the semiconducting co-doped carbon nanotube/graphene into a semimetallic composite material. The results show that the connection can be achieved with energy release under a wider range of distance between the nanotube and graphene. It indicates that the connection between the nanotube and the graphene might be a self-assemble process.

  14. Single-Atom Au/NiFe Layered Double Hydroxide Electrocatalyst: Probing the Origin of Activity for Oxygen Evolution Reaction.

    Science.gov (United States)

    Zhang, Jingfang; Liu, Jieyu; Xi, Lifei; Yu, Yifu; Chen, Ning; Sun, Shuhui; Wang, Weichao; Lange, Kathrin M; Zhang, Bin

    2018-03-21

    A fundamental understanding of the origin of oxygen evolution reaction (OER) activity of transition-metal-based electrocatalysts, especially for single precious metal atoms supported on layered double hydroxides (LDHs), is highly required for the design of efficient electrocatalysts toward further energy conversion technologies. Here, we aim toward single-atom Au supported on NiFe LDH ( s Au/NiFe LDH) to clarify the activity origin of LDHs system and a 6-fold OER activity enhancement by 0.4 wt % s Au decoration. Combining with theoretical calculations, the active behavior of NiFe LDH results from the in situ generated NiFe oxyhydroxide from LDH during the OER process. With the presence of s Au, s Au/NiFe LDH possesses an overpotential of 0.21 V in contrast to the calculated result (0.18 V). We ascribe the excellent OER activity of s Au/NiFe LDH to the charge redistribution of active Fe as well as its surrounding atoms causing by the neighboring s Au on NiFe oxyhydroxide stabilized by interfacial CO 3 2- and H 2 O interfacing with LDH.

  15. Plasmachemical generation of atomic iodine for iodine lasers pumped by singlet oxygen

    Czech Academy of Sciences Publication Activity Database

    Jirásek, Vít; Schmiedberger, Josef; Čenský, Miroslav; Picková, Irena; Kodymová, Jarmila; Špalek, Otomar

    2008-01-01

    Roč. 102, č. 16 (2008), s. 1327-1331 ISSN 0009-2770 Grant - others:US Air Force EOARD(US) FA8655-06-1-3034 Institutional research plan: CEZ:AV0Z10100523 Keywords : COIL * chemical laser * atomic iodine * RF discharge Subject RIV: BH - Optics, Masers, Laser s Impact factor: 0.593, year: 2008 http://chemicke-listy.cz/docs/full/2008_16_s1327-s1331.pdf

  16. Kinetic Consequences of Chemisorbed Oxygen Atoms during Methane Oxidation on Group VIII Metal Clusters

    OpenAIRE

    Chin, Ya Huei

    2011-01-01

    Molecular insights and the kinetic relevance of reaction elementary steps for methane activation on Group VIII metal and oxide clusters are established based on kinetic, isotopic, and theoretical assessments. These fundamental understandings enable accurate prediction of complex rate dependencies and cluster size effects during methane conversion reactions in catalytic partial oxidation, reforming, and combustion processes.Kinetics of methane reactions with oxygen are described by several reg...

  17. Single Molecule Atomic Force Microscopy Studies of Photosensitized Singlet Oxygen Behavior on a DNA Origami Template

    DEFF Research Database (Denmark)

    Helmig, Sarah Wendelboe; Rotaru, Alexandru; Arian, Dumitru

    2010-01-01

    DNA origami, the folding of a long single-stranded DNA sequence (scaffold strand) by hundreds of short synthetic oligonucleotides (staple strands) into parallel aligned helices, is a highly efficient method to form advanced self-assembled DNA-architectures. Since molecules and various materials can...... be conjugated to each of the short staple strands, the origami method offers a unique possibility of arranging molecules and materials in well-defined positions on a structured surface. Here we combine the action of light with AFM and DNA nanostructures to study the production of singlet oxygen from a single...

  18. Atmospheric plasma generates oxygen atoms as oxidizing species in aqueous solutions

    Czech Academy of Sciences Publication Activity Database

    Hefny, M.M.; Pattyn, C.; Lukeš, Petr; Benedikt, J.

    2016-01-01

    Roč. 49, č. 40 (2016), s. 404002 ISSN 0022-3727 R&D Projects: GA MŠk(CZ) LD14080 Grant - others:European Cooperation in Science and Technology(XE) COST TD1208 Institutional support: RVO:61389021 Keywords : atmospheric pressure plasma * transport of reactive species * reactive oxygen species * aqueous phase chemistry * plasma and liquids * phenol aqueous chemistry Subject RIV: BL - Plasma and Gas Discharge Physics Impact factor: 2.588, year: 2016 http://iopscience.iop.org/article/10.1088/0022-3727/49/40/404002

  19. Hetero-atom doped carbon nanotubes for dye degradation and oxygen reduction reaction

    Science.gov (United States)

    Nandan, Ravi; Nanda, Karuna Kar

    2015-06-01

    We report the synthesis of nitrogen doped vertically aligned multi-walled (MWNCNTs) carbon nanotubes by pyrolysis and its catalytic performance for degradation of methylene blue (MB) dye & oxygen reduction reaction (ORR). The degradation of MB was monitored spectrophotometrically with time. Kinetic studies show the degradation of MB follows a first order kinetic with rate constant k=0.0178 min-1. The present rate constant is better than that reported for various supported/non-supported semiconducting nanomaterials. Further ORR performance in alkaline media makes MWNCNTs a promising cost-effective, fuel crossover tolerance, metal-free, eco-friendly cathode catalyst for direct alcohol fuel cell.

  20. Hetero-atom doped carbon nanotubes for dye degradation and oxygen reduction reaction

    Energy Technology Data Exchange (ETDEWEB)

    Nandan, Ravi, E-mail: aerawat27@gmail.com; Nanda, Karuna Kar [Materials Research Centre, Indian Institute of Science, Bangalore-560012 (India)

    2015-06-24

    We report the synthesis of nitrogen doped vertically aligned multi-walled (MWNCNTs) carbon nanotubes by pyrolysis and its catalytic performance for degradation of methylene blue (MB) dye & oxygen reduction reaction (ORR). The degradation of MB was monitored spectrophotometrically with time. Kinetic studies show the degradation of MB follows a first order kinetic with rate constant k=0.0178 min{sup −1}. The present rate constant is better than that reported for various supported/non-supported semiconducting nanomaterials. Further ORR performance in alkaline media makes MWNCNTs a promising cost-effective, fuel crossover tolerance, metal-free, eco-friendly cathode catalyst for direct alcohol fuel cell.

  1. Fabrication of Mediatorless/Membraneless Glucose/Oxygen Based Biofuel Cell using Biocatalysts Including Glucose Oxidase and Laccase Enzymes

    Science.gov (United States)

    Christwardana, Marcelinus; Kim, Ki Jae; Kwon, Yongchai

    2016-07-01

    Mediatorless and membraneless enzymatic biofuel cells (EBCs) employing new catalytic structure are fabricated. Regarding anodic catalyst, structure consisting of glucose oxidase (GOx), poly(ethylenimine) (PEI) and carbon nanotube (CNT) is considered, while three cathodic catalysts consist of glutaraldehyde (GA), laccase (Lac), PEI and CNT that are stacked together in different ways. Catalytic activities of the catalysts for glucose oxidation and oxygen reduction reactions (GOR and ORR) are evaluated. As a result, it is confirmed that the catalysts work well for promotion of GOR and ORR. In EBC tests, performances of EBCs including 150 μm-thick membrane are measured as references, while those of membraneless EBCs are measured depending on parameters like glucose flow rate, glucose concentration, distance between two electrodes and electrolyte pH. With the measurements, how the parameters affect EBC performance and their optimal conditions are determined. Based on that, best maximum power density (MPD) of membraneless EBC is 102 ± 5.1 μW · cm-2 with values of 0.5 cc · min-1 (glucose flow rate), 40 mM (glucose concentration), 1 mm (distance between electrodes) and pH 3. When membrane and membraneless EBCs are compared, MPD of the membraneless EBC that is run at the similar operating condition to EBC including membrane is speculated as about 134 μW · cm-2.

  2. Manipulating the Architecture of Atomically Thin Transition Metal (Hydr)oxides for Enhanced Oxygen Evolution Catalysis.

    Science.gov (United States)

    Dou, Yuhai; Zhang, Lei; Xu, Jiantie; He, Chun-Ting; Xu, Xun; Sun, Ziqi; Liao, Ting; Nagy, Balázs; Liu, Porun; Dou, Shi Xue

    2018-02-27

    Graphene-like nanomaterials have received tremendous research interest due to their atomic thickness and fascinating properties. Previous studies mainly focus on the modulation of their electronic structures, which undoubtedly optimizes the electronic properties, but is not the only determinant of performance in practical applications. Herein, we propose a generalized strategy to incrementally manipulate the architectures of several atomically thin transition metal (hydr)oxides, and study their effects on catalytic water oxidation. The results demonstrate the obvious superiority of a wrinkled nanosheet architecture in both catalytic activity and durability. For instance, wrinkled Ni(OH) 2 nanosheets display a low overpotential of 358.2 mV at 10 mA cm -2 , a high current density of 187.2 mA cm -2 at 500 mV, a small Tafel slope of 54.4 mV dec -1 , and excellent long-term durability with gradually optimized performance, significantly outperforming other nanosheet architectures and previously reported catalysts. The outstanding catalytic performance is mainly attributable to the 3D porous network structure constructed by wrinkled nanosheets, which not only provides sufficient contact between electrode materials and current collector, but also offers highly accessible channels for facile electrolyte diffusion and efficient O 2 escape. Our study provides a perspective on improving the performance of graphene-like nanomaterials in a wide range of practical applications.

  3. Spectral and magnetic investigations of lanthanide chelate compounds with Schiff bases coordinated via nitrogen and oxygen atoms

    International Nuclear Information System (INIS)

    Gupta, S.P.; Sharma, K.G.

    1982-01-01

    Nine-coordination lanthanide chelate of the type [LnL 3 ] and [LnL' 3 ] where Ln--Pr 3 , Nd 3 , Sm 3 , Ho 3 , Er 3 ; LH=O-(N-α-furfurylidenemino) etbanesulfonic acid (HFES)-LL'H=O-(N-α- furfurylidenemino) benzenesulfonic acid (HFBS) are synthesized by means of ligand reaction with Ln(NO 3 ) 3 . The chelates prepared are singled out in a solid state and are characterized using the element analysis, magnetic and spectral data, as well as the method of electric conductivity. At room temperature magnetic momenta of the chelates are characteristic of trivalent lanthanide ions. Electron spectra consist of absorption bands of f-f transitions and they are interpreted in the framework of LSI model. For the chelates prepared a polymeric structure with coordination number 9 is suggested in which lanthanide ions are bonded through oxygen and nitrogen atoms of schiff base [ru

  4. Standard test method for the determination of uranium by ignition and the oxygen to uranium (O/U) atomic ratio of nuclear grade uranium dioxide powders and pellets

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    2000-01-01

    1.1 This test method covers the determination of uranium and the oxygen to uranium atomic ratio in nuclear grade uranium dioxide powder and pellets. 1.2 This test method does not include provisions for preventing criticality accidents or requirements for health and safety. Observance of this test method does not relieve the user of the obligation to be aware of and conform to all international, national, or federal, state and local regulations pertaining to possessing, shipping, processing, or using source or special nuclear material. 1.3 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety and health practices and determine the applicability of regulatory limitations prior to use. 1.4 This test method also is applicable to UO3 and U3O8 powder.

  5. First-Principles Study on the Structural and Electronic Properties of N Atoms Doped-Rutile TiO2 of Oxygen Vacancies

    Directory of Open Access Journals (Sweden)

    Zhong-Liang Zeng

    2015-01-01

    Full Text Available For the propose of considering the actual situation of electronic neutral, a simulation has been down on the basis of choosing the position of dual N and researching the oxygen vacancy. It is found that the reason why crystal material gets smaller is due to the emergence of impurity levels. By introducing the oxygen vacancy to the structure, the results show that while the oxygen vacancy is near the two nitrogen atoms which have a back to back position, its energy gets the lowest level and its structure gets the most stable state. From its energy band structure and density, the author finds that the impurity elements do not affect the migration of Fermi level while the oxygen vacancy has been increased. Instead of that, the conduction band of metal atoms moves to the Fermi level and then forms the N-type semiconductor material, but the photocatalytic activity is not as good as the dual N-doping state.

  6. A method for the retrieval of atomic oxygen density and temperature profiles from ground-based measurements of the O(+)(2D-2P) 7320 A twilight airglow

    Science.gov (United States)

    Fennelly, J. A.; Torr, D. G.; Richards, P. G.; Torr, M. R.; Sharp, W. E.

    1991-01-01

    This paper describes a technique for extracting thermospheric profiles of the atomic-oxygen density and temperature, using ground-based measurements of the O(+)(2D-2P) doublet at 7320 and 7330 A in the twilight airglow. In this method, a local photochemical model is used to calculate the 7320-A intensity; the method also utilizes an iterative inversion procedure based on the Levenberg-Marquardt method described by Press et al. (1986). The results demonstrate that, if the measurements are only limited by errors due to Poisson noise, the altitude profiles of neutral temperature and atomic oxygen concentration can be determined accurately using currently available spectrometers.

  7. Examining the rudimentary steps of the oxygen reduction reaction on single-atomic Pt using Ti-based non-oxide supports

    DEFF Research Database (Denmark)

    Tak, Young Joo; Yang, Sungeun; Lee, Hyunjoo

    2018-01-01

    In the attempt to reduce the high-cost and improve the overall durability of Pt-based electrocatalysts for the oxygen reduction reaction (ORR), density-functional theory (DFT) calculations have been performed to study the energetics of the elementary steps that occur during ORR on TiN(100)- and T...... of the single-atom Pt catalyst, and directly influences the rudimentary ORR steps on these single-atom platinized supports....

  8. Mechanism of Oxygen Atom Transfer from Fe(V)(O) to Olefins at Room Temperature.

    Science.gov (United States)

    Singh, Kundan K; Tiwari, Mrityunjay K; Dhar, Basab B; Vanka, Kumar; Sen Gupta, Sayam

    2015-07-06

    In biological oxidations, the intermediate Fe(V)(O)(OH) has been proposed to be the active species for catalyzing the epoxidation of alkenes by nonheme iron complexes. However, no study has been reported yet that elucidates the mechanism of direct O-atom transfer during the reaction of Fe(V)(O) with alkenes to form the corresponding epoxide. For the first time, we study the mechanism of O-atom transfer to alkenes using the Fe(V)(O) complex of biuret-modified Fe-TAML at room temperature. The second-order rate constant (k2) for the reaction of different alkenes with Fe(V)(O) was determined under single-turnover conditions. An 8000-fold rate difference was found between electron-rich (4-methoxystyrene; k2 = 216 M(-1) s(-1)) and electron-deficient (methyl trans-cinnamate; k2 = 0.03 M(-1) s(-1)) substrates. This rate difference indicates the electrophilic character of Fe(V)(O). The use of cis-stilbene as a mechanistic probe leads to the formation of both cis- and trans-stilbene epoxides (73:27). This suggests the formation of a radical intermediate, which would allow C-C bond rotation to yield both stereoisomers of stilbene-epoxide. Additionally, a Hammett ρ value of -0.56 was obtained for the para-substituted styrene derivatives. Detailed DFT calculations show that the reaction proceeds via a two-step process through a doublet spin surface. Finally, using biuret-modified Fe-TAML as the catalyst and NaOCl as the oxidant under catalytic conditions epoxide was formed with modest yields and turnover numbers.

  9. Absolute rate constant, kinetic isotope effect, and mechanism of the reaction of ethylene oxide with oxygen(3P) atoms

    International Nuclear Information System (INIS)

    Bogan, D.J.; Hand, C.W.

    1978-01-01

    The kinetics of the reaction of ethylene oxide with O( 3 P) atoms has been investigated in detail using a discharge flow system with mass spectrometric and photometric detection. Absolute measurements of the rate constant, kinetic isotope effect, and stoichiometry have been made. The overall stoichiometry is 3 +- 1 oxygen atoms consumed per ethylene oxide molecule. Arrhenius parameters for the reaction of C 2 H 4 O with O are A = 10/sup (9.28+-0.08)/ L mol -1 s -1 and E = 5250 +- 150 cal mol -1 over the temperature range 298 to 691 0 K, and Arrhenius parameters for the kinetic isotope effect are A/sub H//A/sub D/ = 0.9 +- 0.20 and E/sub D/--E/sub H/ = 1460 +- 230 cal mol -1 , over the temperature range 482 to 691 0 K. The magnitude of the preexponential factor and the temperature dependence of the isotope effect establish that hydrogen abstraction, rather than insertion to form a dioxetane intermediate, is the sole reactive channel for ethylene oxide plus O( 3 P). The Arrhenius parameters are discussed and compared to other hydrogen abstraction reactions of O( 3 P). Comparison is also made to the reactions of O( 3 P) with other strained three-membered ring compounds. The final products H 2 , H 2 O, HCHO, CO, and CO 2 were identified, and a mechanism is proposed to account for their formation from the radical products of the initial step

  10. Preparation of high-content hexagonal boron nitride composite film and characterization of atomic oxygen erosion resistance

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yu; Li, Min; Gu, Yizhuo; Wang, Shaokai, E-mail: wsk@buaa.edu.cn; Zhang, Zuoguang

    2017-04-30

    Highlights: • Hexagonal boron nitride nanosheets can be well exfoliated with the help of nanofibrillated cellulose. • A carpet-like rough surface and distortion in crystal structure of h-BN are found in both h-BN film and h-BN/epoxy film after AO exposure. • H-BN/epoxy film exhibits a higher mass loss and erosion yield, different element content changes and chemical oxidations compared with h-BN film. - Abstract: Space aircrafts circling in low earth orbit are suffered from highly reactive atomic oxygen (AO). To shield AO, a flexible thin film with 80 wt.% hexagonal boron nitride (h-BN) and h-BN/epoxy film were fabricated through vacuum filtration and adding nanofibrillated cellulose fibers. H-BN nanosheets were hydroxylated for enhancing interaction in the films. Mass loss and erosion yield at accumulated AO fluence about 3.04 × 10{sup 20} atoms/cm{sup 2} were adopted to evaluate the AO resistance properties of the films. A carpet-like rough surface, chemical oxidations and change in crystal structure of h-BN were found after AO treatment, and the degrading mechanism was proposed. The mass loss and erosion yield under AO attack were compared between h-BN film and h-BN/epoxy film, and the comparison was also done for various types of shielding AO materials. Excellent AO resistance property of h-BN film is shown, and the reasons are analyzed.

  11. Preparation of high-content hexagonal boron nitride composite film and characterization of atomic oxygen erosion resistance

    Science.gov (United States)

    Zhang, Yu; Li, Min; Gu, Yizhuo; Wang, Shaokai; Zhang, Zuoguang

    2017-04-01

    Space aircrafts circling in low earth orbit are suffered from highly reactive atomic oxygen (AO). To shield AO, a flexible thin film with 80 wt.% hexagonal boron nitride (h-BN) and h-BN/epoxy film were fabricated through vacuum filtration and adding nanofibrillated cellulose fibers. H-BN nanosheets were hydroxylated for enhancing interaction in the films. Mass loss and erosion yield at accumulated AO fluence about 3.04 × 1020 atoms/cm2 were adopted to evaluate the AO resistance properties of the films. A carpet-like rough surface, chemical oxidations and change in crystal structure of h-BN were found after AO treatment, and the degrading mechanism was proposed. The mass loss and erosion yield under AO attack were compared between h-BN film and h-BN/epoxy film, and the comparison was also done for various types of shielding AO materials. Excellent AO resistance property of h-BN film is shown, and the reasons are analyzed.

  12. Atomizer

    DEFF Research Database (Denmark)

    Fixed stereo electroacoustic music, included in Robert Voisey’s (Curator) VoxNovus 60×60 Dance, 60×60 2010 International Mix and 60×60 Sanguine Mix projects. Performed internationally, including Stratford Circus, London, UK. Full performance listings and press available online....

  13. Reactivity of chemisorbed oxygen atoms and their catalytic consequences during CH4-O2 catalysis on supported Pt clusters.

    Science.gov (United States)

    Chin, Ya-Huei Cathy; Buda, Corneliu; Neurock, Matthew; Iglesia, Enrique

    2011-10-12

    barrierless. In the absence of O(2), alternate weaker oxidants, such as H(2)O or CO(2), lead to a final kinetic regime in which C-H bond dissociation on *-* pairs at bare cluster surfaces limit CH(4) conversion rates. Rates become first-order in CH(4) and independent of coreactant and normal CH(4)/CD(4) kinetic isotope effects are observed. In this case, turnover rates increase with increasing dispersion, because low-coordination Pt atoms stabilize the C-H bond activation transition states more effectively via stronger binding to CH(3) and H fragments. These findings and their mechanistic interpretations are consistent with all rate and isotopic data and with theoretical estimates of activation barriers and of cluster size effects on transition states. They serve to demonstrate the essential role of the coverage and reactivity of chemisorbed oxygen in determining the type and effectiveness of surface structures in CH(4) oxidation reactions using O(2), H(2)O, or CO(2) as oxidants, as well as the diversity of rate dependencies, activation energies and entropies, and cluster size effects that prevail in these reactions. These results also show how theory and experiments can unravel complex surface chemistries on realistic catalysts under practical conditions and provide through the resulting mechanistic insights specific predictions for the effects of cluster size and surface coordination on turnover rates, the trends and magnitude of which depend sensitively on the nature of the predominant adsorbed intermediates and the kinetically relevant steps.

  14. Model polymer etching and surface modification by a time modulated RF plasma jet: role of atomic oxygen and water vapor

    International Nuclear Information System (INIS)

    Luan, P; Knoll, A J; Wang, H; Oehrlein, G S; Kondeti, V S S K; Bruggeman, P J

    2017-01-01

    The surface interaction of a well-characterized time modulated radio frequency (RF) plasma jet with polystyrene, poly(methyl methacrylate) and poly(vinyl alcohol) as model polymers is investigated. The RF plasma jet shows fast polymer etching but mild chemical modification with a characteristic carbonate ester and NO formation on the etched surface. By varying the plasma treatment conditions including feed gas composition, environment gaseous composition, and treatment distance, we find that short lived species, especially atomic O for Ar/1% O 2 and 1% air plasma and OH for Ar/1% H 2 O plasma, play an essential role for polymer etching. For O 2 containing plasma, we find that atomic O initiates polymer etching and the etching depth mirrors the measured decay of O atoms in the gas phase as the nozzle-surface distance increases. The etching reaction probability of an O atom ranging from 10 −4 to 10 −3 is consistent with low pressure plasma research. We also find that adding O 2 and H 2 O simultaneously into Ar feed gas quenches polymer etching compared to adding them separately which suggests the reduction of O and OH density in Ar/O 2 /H 2 O plasma. (letter)

  15. On the non-linear spectroscopy including saturated absorption and four-wave mixing in two and multi-level atoms: a computational study

    Science.gov (United States)

    Patel, M.; De Jager, G.; Nkosi, Z.; Wyngaard, A.; Govender, K.

    2017-10-01

    In this paper we report on the study of two and multi-level atoms interacting with multiple laser beams. The semi-classical approach is used to describe the system in which the atoms are treated quantum mechanically via the density matrix operator, while the laser beams are treated classically using Maxwells equations. We present results of a two level atom interacting with single and multiple laser beams and demonstrate Rabi oscillations between the levels. The effects of laser modulation on the dynamics of the atom (atomic populations and coherences) are examined by solving the optical Bloch equations. Plots of the density matrix elements as a function of time are presented for various parameters such as laser intensity, detuning, modulation etc. In addition, phase-space plots and Fourier analysis of the density matrix elements are provided. The atomic polarization, estimated from the coherence terms of the density matrix elements, is used in the numerical solution of Maxwells equations to determine the behaviour of the laser beams as they propagate through the atomic ensemble. The effects of saturation and hole-burning are demonstrated in the case of two counter propagating beams with one being a strong beam and the other being very weak. The above work is extended to include four-wave mixing in four level atoms in a diamond configuration. Two co-propagating beams of different wavelengths drive the atoms from a ground state |1〉 to an excited state |3〉 via an intermediate state |2〉. The atoms then move back to the ground state via another intermediate state |4〉, resulting in the generation of two additional correlated photon beams. The characteristics of these additional photons are studied.

  16. Surface reaction mechanisms during ozone and oxygen plasma assisted atomic layer deposition of aluminum oxide.

    Science.gov (United States)

    Rai, Vikrant R; Vandalon, Vincent; Agarwal, Sumit

    2010-09-07

    We have elucidated the reaction mechanism and the role of the reactive intermediates in the atomic layer deposition (ALD) of aluminum oxide from trimethyl aluminum in conjunction with O(3) and an O(2) plasma. In situ attenuated total reflection Fourier transform infrared spectroscopy data show that both -OH groups and carbonates are formed on the surface during the oxidation cycle. These carbonates, once formed on the surface, are stable to prolonged O(3) exposure in the same cycle. However, in the case of plasma-assisted ALD, the carbonates decompose upon prolonged O(2) plasma exposure via a series reaction kinetics of the type, A (CH(3)) --> B (carbonates) --> C (Al(2)O(3)). The ratio of -OH groups to carbonates on the surface strongly depends on the oxidizing agent, and also the duration of the oxidation cycle in plasma-assisted ALD. However, in both O(3) and O(2) plasma cycles, carbonates are a small fraction of the total number of reactive sites compared to the hydroxyl groups.

  17. Theoretical insight into an empirical rule about organic corrosion inhibitors containing nitrogen, oxygen, and sulfur atoms

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Lei, E-mail: cqglei@163.com [School of Material and Chemical Engieering, Tongren University, Tongren 554300 (China); Obot, Ime Bassey [Center of Research Excellence in Corrosion, King Fahd University of Petroleum and Minerals, Dhahran 31261 (Saudi Arabia); Zheng, Xingwen [Material Corrosion and Protection Key Laboratory of Sichuan province, Zigong 643000 (China); Shen, Xun [School of Material and Chemical Engieering, Tongren University, Tongren 554300 (China); Qiang, Yujie [Material Corrosion and Protection Key Laboratory of Sichuan province, Zigong 643000 (China); Kaya, Savaş; Kaya, Cemal [Department of Chemistry, Faculty of Science, Cumhuriyet University, Sivas 58140 (Turkey)

    2017-06-01

    Highlights: • We obtained the habit information of α-Fe obtained by the “Morphology” module. • The adsorption of pyrrole, furan, and thiophene on Fe(110) surface were studied by DFT calculations. • Our DFT modeling provided a reasonable micro-explanation to the empirical rule. - Abstract: Steel is an important material in industry. Adding heterocyclic organic compounds have proved to be very efficient for steel protection. There exists an empirical rule that the general trend in the inhibition efficiencies of molecules containing heteroatoms is such that O < N < S. However, an atomic-level insight into the inhibition mechanism is still lacked. Thus, in this work, density functional theory calculations was used to investigate the adsorption of three typical heterocyclic molecules, i.e., pyrrole, furan, and thiophene, on Fe(110) surface. The approach is illustrated by carrying out geometric optimization of inhibitors on the stable and most exposed plane of α-Fe. Some salient features such as charge density difference, changes of work function, density of states were detailedly described. The present study is helpful to understand the afore-mentioned experiment rule.

  18. Nonheme Fe(IV) Oxo Complexes of Two New Pentadentate Ligands and Their Hydrogen-Atom and Oxygen-Atom Transfer Reactions.

    Science.gov (United States)

    Mitra, Mainak; Nimir, Hassan; Demeshko, Serhiy; Bhat, Satish S; Malinkin, Sergey O; Haukka, Matti; Lloret-Fillol, Julio; Lisensky, George C; Meyer, Franc; Shteinman, Albert A; Browne, Wesley R; Hrovat, David A; Richmond, Michael G; Costas, Miquel; Nordlander, Ebbe

    2015-08-03

    Two new pentadentate {N5} donor ligands based on the N4Py (N4Py = N,N-bis(2-pyridylmethyl)-N-bis(2-pyridyl)methylamine) framework have been synthesized, viz. [N-(1-methyl-2-benzimidazolyl)methyl-N-(2-pyridyl)methyl-N-(bis-2-pyridyl methyl)amine] (L(1)) and [N-bis(1-methyl-2-benzimidazolyl)methyl-N-(bis-2-pyridylmethyl)amine] (L(2)), where one or two pyridyl arms of N4Py have been replaced by corresponding (N-methyl)benzimidazolyl-containing arms. The complexes [Fe(II)(CH3CN)(L)](2+) (L = L(1) (1); L(2) (2)) were synthesized, and reaction of these ferrous complexes with iodosylbenzene led to the formation of the ferryl complexes [Fe(IV)(O)(L)](2+) (L = L(1) (3); L(2) (4)), which were characterized by UV-vis spectroscopy, high resolution mass spectrometry, and Mössbauer spectroscopy. Complexes 3 and 4 are relatively stable with half-lives at room temperature of 40 h (L = L(1)) and 2.5 h (L = L(2)). The redox potentials of 1 and 2, as well as the visible spectra of 3 and 4, indicate that the ligand field weakens as ligand pyridyl substituents are progressively substituted by (N-methyl)benzimidazolyl moieties. The reactivities of 3 and 4 in hydrogen-atom transfer (HAT) and oxygen-atom transfer (OAT) reactions show that both complexes exhibit enhanced reactivities when compared to the analogous N4Py complex ([Fe(IV)(O)(N4Py)](2+)), and that the normalized HAT rates increase by approximately 1 order of magnitude for each replacement of a pyridyl moiety; i.e., [Fe(IV)(O)(L(2))](2+) exhibits the highest rates. The second-order HAT rate constants can be directly related to the substrate C-H bond dissociation energies. Computational modeling of the HAT reactions indicates that the reaction proceeds via a high spin transition state.

  19. Absolute atomic oxygen and nitrogen densities in radio-frequency driven atmospheric pressure cold plasmas: Synchrotron vacuum ultra-violet high-resolution Fourier-transform absorption measurements

    International Nuclear Information System (INIS)

    Niemi, K.; O'Connell, D.; Gans, T.; Oliveira, N. de; Joyeux, D.; Nahon, L.; Booth, J. P.

    2013-01-01

    Reactive atomic species play a key role in emerging cold atmospheric pressure plasma applications, in particular, in plasma medicine. Absolute densities of atomic oxygen and atomic nitrogen were measured in a radio-frequency driven non-equilibrium plasma operated at atmospheric pressure using vacuum ultra-violet (VUV) absorption spectroscopy. The experiment was conducted on the DESIRS synchrotron beamline using a unique VUV Fourier-transform spectrometer. Measurements were carried out in plasmas operated in helium with air-like N 2 /O 2 (4:1) admixtures. A maximum in the O-atom concentration of (9.1 ± 0.7)×10 20 m −3 was found at admixtures of 0.35 vol. %, while the N-atom concentration exhibits a maximum of (5.7 ± 0.4)×10 19 m −3 at 0.1 vol. %

  20. Influence of crystal defects on the chemical reactivity of recoil atoms in oxygen-containing chromium compounds; Influence des defauts cristallins sur la reactivite chimique des atomes de recul dans des composes oxygenes du chrome

    Energy Technology Data Exchange (ETDEWEB)

    Costea, T. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1969-07-01

    The influence of crystal defects on the chemical reactivity of recoil atoms produced by the reaction {sup 50}Cr (n,{gamma}){sup 51}Cr in oxygen-containing chromium compounds has been studied. Three methods have been used to introduce the defects: doping (K{sub 2}CrO{sub 4} doped with BaCrO{sub 4}), irradiation by ionizing radiation (K{sub 2}CrO{sub 4} irradiated in the presence of Li{sub 2}CO{sub 3}) and non-stoichiometry (the semi-conducting oxides of the CrO{sub 3}-Cr{sub 2}O{sub 3} series). The thermal annealing kinetics of the irradiated samples have been determined, and the activation energy has been calculated. In all cases it has been observed that there is a decrease in the activation energy for thermal annealing in the presence of the defects. In order to explain the annealing process, an electronic mechanism has been proposed based on the interaction between the recoil species and the charge-carriers (holes or electrons). (author) [French] On a etudie l'influence des defauts cristallins sur la reactivite chimique des atomes de recul produits par la reaction {sup 50}cr (n,{gamma}){sup 51}Cr, dans des composes oxygenes du chrome. Les defauts ont ete introduits par trois voies: dopage (K{sub 2}CrO{sub 4} dope avec BaCrO{sub 4}), irradiation avec des radiations ionisantes (K{sub 2}CrO{sub 4} irradie en presence de Li{sub 2}CO{sub 3}) et non-stoechiometrie (les oxydes semiconducteurs de la serie CrO{sub 3}-Cr{sub 2}O{sub 3}). On a determine la cinetique du recuit thermique des echantillons irradies et on a calcule l'energie d'activation. Dans tous les cas, on a observe, en presence des defauts, une diminution de l'energie d'activalion du recuit thermique. On a propose, pour expliquer les processus de recuit, un mecanisme electronique base sur l'interaction entre les especes de recul et les porteurs de charge (trous ou electrons). (auteur)

  1. High time resolution measurements of the thermosphere from Fabry-Perot Interferometer measurements of atomic oxygen

    Directory of Open Access Journals (Sweden)

    E. A. K. Ford

    2007-06-01

    Full Text Available Recent advances in the performance of CCD detectors have enabled a high time resolution study of the high latitude upper thermosphere with Fabry-Perot Interferometers (FPIs to be performed. 10-s integration times were used during a campaign in April 2004 on an FPI located in northern Sweden in the auroral oval. The FPI is used to study the thermosphere by measuring the oxygen red line emission at 630.0 nm, which emits at an altitude of approximately 240 km. Previous time resolutions have been 4 min at best, due to the cycle of look directions normally observed. By using 10 s rather than 40 s integration times, and by limiting the number of full cycles in a night, high resolution measurements down to 15 s were achievable. This has allowed the maximum variability of the thermospheric winds and temperatures, and 630.0 nm emission intensities, at approximately 240 km, to be determined as a few minutes. This is a significantly greater variability than the often assumed value of 1 h or more. A Lomb-Scargle analysis of this data has shown evidence of gravity wave activity with waves with short periods. Gravity waves are an important feature of mesosphere-lower thermosphere (MLT dynamics, observed using many techniques and providing an important mechanism for energy transfer between atmospheric regions. At high latitudes gravity waves may be generated in-situ by localised auroral activity. Short period waves were detected in all four clear nights when this experiment was performed, in 630.0 nm intensities and thermospheric winds and temperatures. Waves with many periodicities were observed, from periods of several hours, down to 14 min. These waves were seen in all parameters over several nights, implying that this variability is a typical property of the thermosphere.

  2. Ab initio effective core potentials including relativistic effects and their application to the electronic structure calculations of heavy atoms and molecules

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Y.S.

    1977-11-01

    The effects of the 4f shell of electrons and the relativity of valence electrons are compared. The effect of 4f shell (lanthanide contraction) is estimated from the numerical Hartree-Fock (HF) calculations of pseudo-atoms corresponding to Hf, Re, Au, Hg, Tl, Pb and Bi without 4f electrons and with atomic numbers reduced by 14. The relativistic effect estimated from the numerical Dirac-Hartree-Fock (DHF) calculations of those atoms is comparable in the magnitude with that of the 4f shell of electrons. Both are larger for 6s than for 5d or 6p electrons. The various relativistic effects on valence electrons are discussed in detail to determine the proper level of the approximation for the valence electron calculations of systems with heavy elements. An effective core potential system has been developed for heavy atoms in which relativistic effects are included in the effective potentials.

  3. Simultaneous Laser-induced Fluorescence of Nitric Oxide and Atomic Oxygen in the Hypersonic Materials Environment Test System Arcjet Facility

    Science.gov (United States)

    Johansen, Craig; Lincoln, Daniel; Bathel, Brett; Inman, Jennifer; Danehy, Paul

    2014-01-01

    Simultaneous nitric oxide (NO) and atomic oxygen (O) laser induced fluorescence (LIF) experiments were performed in the Hypersonic Materials Environmental Test System (HYMETS) facility at the NASA Langley Research Center. The data serves as an experimental database for validation for chemical and thermal nonequilibrium models used in hypersonic flows. Measurements were taken over a wide range of stagnation enthalpies (6.7 - 18.5 MJ/kg) using an Earth atmosphere simulant with a composition of 75% N2, 20% O2, and 5% Ar (by volume). These are the first simultaneous measurements of NO and O LIF to be reported in literature for the HYMETS facility. The maximum O LIF mean signal intensity was observed at a stagnation enthalpy of approximately 12 MJ/kg while the maximum NO LIF mean signal intensity was observed at a stagnation enthalpy of 6.7 MJ/kg. Experimental results were compared to simple fluorescence model that assumes equilibrium conditions in the plenum and frozen chemistry in the isentropic nozzle expansion (Mach 5). The equilibrium calculations were performed using CANTERA v2.1.1 with 16 species. The fluorescence model captured the correlation in mean O and NO LIF signal intensities over the entire range of stagnation enthalpies tested. Very weak correlations between single-shot O and NO LIF intensities were observed in the experiments at all of the stagnation enthalpy conditions.

  4. Influence of crystal defects on the chemical reactivity of recoil atoms in oxygen-containing chromium compounds

    International Nuclear Information System (INIS)

    Costea, T.

    1969-01-01

    The influence of crystal defects on the chemical reactivity of recoil atoms produced by the reaction 50 Cr (n,γ) 51 Cr in oxygen-containing chromium compounds has been studied. Three methods have been used to introduce the defects: doping (K 2 CrO 4 doped with BaCrO 4 ), irradiation by ionizing radiation (K 2 CrO 4 irradiated in the presence of Li 2 CO 3 ) and non-stoichiometry (the semi-conducting oxides of the CrO 3 -Cr 2 O 3 series). The thermal annealing kinetics of the irradiated samples have been determined, and the activation energy has been calculated. In all cases it has been observed that there is a decrease in the activation energy for thermal annealing in the presence of the defects. In order to explain the annealing process, an electronic mechanism has been proposed based on the interaction between the recoil species and the charge-carriers (holes or electrons). (author) [fr

  5. Oxygen Mass Transfer in an Aerated Stirred Tank with Double Impellers: A Generalized Correlation Including Spacing Impact

    Directory of Open Access Journals (Sweden)

    Hayder Mohammed Issa

    2016-01-01

    Full Text Available Stirred aerated tanks by double impellers are used in fermentation and various biological processes for water treatment, food industry, and pharmaceutical production. In this study, a generalized correlation model was developed for the dependent parameter (kla/N. The oxygen mass transfer from air to liquid takes place by rotating the double impellers (IBRC and PBPU in the aerated tank. This model considers Reynolds number, Froude number, power number, the liquid height, and the spacing between impellers as the most significant specifications that are related to aerated tank performance. The spacing between the impellers is considered to be a design factor of such industrial equipment due to its remarkable impact on the oxygen mass transfer.

  6. Stability of V2O5 Supported on Titania in the Presence of Water, Bulk Oxygen Vacancies, and Adsorbed Oxygen Atoms

    DEFF Research Database (Denmark)

    Kristoffersen, Henrik Høgh; Neilson, Hunter L.; Buratto, Steven K.

    2017-01-01

    A catalyst consisting of vanadium oxide submonolayers supported on rutile titanium dioxide is used for a variety of reactions. One important question is the difference between the activity of monomeric clusters (having one vanadium atom) and polymeric clusters (having more than one vanadium atom...

  7. Atomic Oxygen (ATOX) simulation of Teflon FEP and Kapton H surfaces using a high intensity, low energy, mass selected, ion beam facility

    Science.gov (United States)

    Vered, R.; Grossman, E.; Lempert, G. D.; Lifshitz, Y.

    1994-11-01

    A high intensity (greater than 10(exp 15) ions/sq cm) low energy (down to 5 eV) mass selected ion beam (MSIB) facility was used to study the effects of ATOX on two polymers commonly used for space applications (Kapton H and Teflon FEP). The polymers were exposed to O(+) and Ne(+) fluences on 10(exp 15) - 10(exp 19) ions/sq cm, using 30eV ions. A variety of analytical methods were used to analyze the eroded surfaces including: (1) atomic force microscopy (AFM) for morphology measurements; (2) total mass loss measurements using a microbalance; (3) surface chemical composition using x-ray photoelectron spectroscopy (XPS), and (4) residual gas analysis (RGA) of the released gases during bombardment. The relative significance of the collisional and chemical degradation processes was evaluated by comparing the effects of Ne(+) and O(+) bombardment. For 30 eV ions it was found that the Kapton is eroded via chemical mechanisms while Teflon FEP is eroded via collisional mechanisms. AFM analysis was found very powerful in revealing the evolution of the damage from its initial atomic scale (roughness of approx. 1 nm) to its final microscopic scale (roughness greater than 1 micron). Both the surface morphology and the average roughness of the bombarded surfaces (averaged over 1 micron x 1 micron images by the system's computer) were determined for each sample. For 30 eV a non linear increase of the Kapton roughness with the O(+) fluence was discovered (a slow increase rate for fluences phi less than 5 x 10(exp 17) O(+)/sq cm, and a rapid increase rate for phi greater than 5 x 10(exp 17) O(+)/sq cm). Comparative studies on the same materials exposed to RF and DC oxygen plasmas indicate that the specific details of the erosion depend on the simulation facility emphasizing the advantages of the ion beam facility.

  8. Redox-inactive metal ions promoted the catalytic reactivity of non-heme manganese complexes towards oxygen atom transfer.

    Science.gov (United States)

    Choe, Cholho; Yang, Ling; Lv, Zhanao; Mo, Wanling; Chen, Zhuqi; Li, Guangxin; Yin, Guochuan

    2015-05-21

    Redox-inactive metal ions can modulate the reactivity of redox-active metal ions in a variety of biological and chemical oxidations. Many synthetic models have been developed to help address the elusive roles of these redox-inactive metal ions. Using a non-heme manganese(II) complex as the model, the influence of redox-inactive metal ions as a Lewis acid on its catalytic efficiency in oxygen atom transfer was investigated. In the absence of redox-inactive metal ions, the manganese(II) catalyst is very sluggish, for example, in cyclooctene epoxidation, providing only 9.9% conversion with 4.1% yield of epoxide. However, addition of 2 equiv. of Al(3+) to the manganese(II) catalyst sharply improves the epoxidation, providing up to 97.8% conversion with 91.4% yield of epoxide. EPR studies of the manganese(II) catalyst in the presence of an oxidant reveal a 16-line hyperfine structure centered at g = 2.0, clearly indicating the formation of a mixed valent di-μ-oxo-bridged diamond core, Mn(III)-(μ-O)2-Mn(IV). The presence of a Lewis acid like Al(3+) causes the dissociation of this diamond Mn(III)-(μ-O)2-Mn(IV) core to form monomeric manganese(iv) species which is responsible for improved epoxidation efficiency. This promotional effect has also been observed in other manganese complexes bearing various non-heme ligands. The findings presented here have provided a promising strategy to explore the catalytic reactivity of some di-μ-oxo-bridged complexes by adding non-redox metal ions to in situ dissociate those dimeric cores and may also provide clues to understand the mechanism of methane monooxygenase which has a similar diiron diamond core as the intermediate.

  9. ZIF-8 with Ferrocene Encapsulated: A Promising Precursor to Single-Atom Fe Embedded Nitrogen-Doped Carbon as Highly Efficient Catalyst for Oxygen Electroreduction.

    Science.gov (United States)

    Wang, Jinpeng; Han, Guokang; Wang, Liguang; Du, Lei; Chen, Guangyu; Gao, Yunzhi; Ma, Yulin; Du, Chunyu; Cheng, Xinqun; Zuo, Pengjian; Yin, Geping

    2018-03-05

    The oxygen reduction reaction (ORR) plays an important role in the fields of energy storage and conversion technologies, including metal-air batteries and fuel cells. The development of nonprecious metal electrocatalysts with both high ORR activity and durability to replace the currently used costly Pt-based catalyst is critical and still a major challenge. Herein, a facile and scalable method is reported to prepare ZIF-8 with single ferrocene molecules trapped within its cavities (Fc@ZIF-8), which is utilized as precursor to porous single-atom Fe embedded nitrogen-doped carbon (Fe-N-C) during high temperature pyrolysis. The catalyst shows a half-wave potential (E 1/2 ) of 0.904 V, 67 mV higher than commercial Pt/C catalyst (0.837 V), which is among the best compared with reported results for ORR. Significant electrochemical properties are attributed to the special configuration of Fc@ZIF-8 transforming into a highly dispersed iron-nitrogen coordination moieties embedded carbon matrix. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. An integrated mathematical model for chemical oxygen demand (COD) removal in moving bed biofilm reactors (MBBR) including predation and hydrolysis.

    Science.gov (United States)

    Revilla, Marta; Galán, Berta; Viguri, Javier R

    2016-07-01

    An integrated mathematical model is proposed for modelling a moving bed biofilm reactor (MBBR) for removal of chemical oxygen demand (COD) under aerobic conditions. The composite model combines the following: (i) a one-dimensional biofilm model, (ii) a bulk liquid model, and (iii) biological processes in the bulk liquid and biofilm considering the interactions among autotrophic, heterotrophic and predator microorganisms. Depending on the values for the soluble biodegradable COD loading rate (SCLR), the model takes into account a) the hydrolysis of slowly biodegradable compounds in the bulk liquid, and b) the growth of predator microorganisms in the bulk liquid and in the biofilm. The integration of the model and the SCLR allows a general description of the behaviour of COD removal by the MBBR under various conditions. The model is applied for two in-series MBBR wastewater plant from an integrated cellulose and viscose production and accurately describes the experimental concentrations of COD, total suspended solids (TSS), nitrogen and phosphorous obtained during 14 months working at different SCLRs and nutrient dosages. The representation of the microorganism group distribution in the biofilm and in the bulk liquid allow for verification of the presence of predator microorganisms in the second reactor under some operational conditions. Copyright © 2016 Elsevier Ltd. All rights reserved.

  11. Matrix-isolation studies on the radiation-induced chemistry in H₂O/CO₂ systems: reactions of oxygen atoms and formation of HOCO radical.

    Science.gov (United States)

    Ryazantsev, Sergey V; Feldman, Vladimir I

    2015-03-19

    The radiation-induced transformations occurring upon X-ray irradiation of solid CO2/H2O/Ng systems (Ng = Ar, Kr, Xe) at 8-10 K and subsequent annealing up to 45 K were studied by Fourier transform infrared spectroscopy. The infrared (IR) spectra of deposited matrices revealed the presence of isolated monomers, dimers, and intermolecular H2O···CO2 complexes. Irradiation resulted in effective decomposition of matrix-isolated carbon dioxide and water yielding CO molecules and OH radicals, respectively. Annealing of the irradiated samples led to formation of O3, HO2, and a number of xenon hydrides of HXeY type (in the case of xenon matrices). The formation of these species was used for monitoring of the postirradiation thermally induced chemical reactions involving O and H atoms generated by radiolysis. It was shown that the radiolysis of CO2 in noble-gas matrices produced high yields of stabilized oxygen atoms. In all cases, the temperatures at which O atoms become mobile and react are lower than those of H atoms. Dynamics and reactivity of oxygen atoms was found to be independent of the precursor nature. In addition, the formation of HOCO radicals was observed in all the noble-gas matrices at remarkably low temperatures. The IR spectra of HOCO and DOCO were first characterized in krypton and xenon matrices. It was concluded that the formation of HOCO was mainly due to the radiation-induced evolution of the weakly bound H2O···CO2 complexes. This result indicates the significance of weak intermolecular interactions in the radiation-induced chemical processes in inert low-temperature media.

  12. Oxidation of phenyl and hydride ligands of bis(pentamethylcyclopentadienyl)hafnium derivatives by nitrous oxide via selective oxygen atom transfer reactions: insights from quantum chemistry calculations.

    Science.gov (United States)

    Xie, Hujun; Liu, Chengcheng; Yuan, Ying; Zhou, Tao; Fan, Ting; Lei, Qunfang; Fang, Wenjun

    2016-01-21

    The mechanisms for the oxidation of phenyl and hydride ligands of bis(pentamethylcyclopentadienyl)hafnium derivatives (Cp* = η(5)-C5Me5) by nitrous oxide via selective oxygen atom transfer reactions have been systematically studied by means of density functional theory (DFT) calculations. On the basis of the calculations, we investigated the original mechanism proposed by Hillhouse and co-workers for the activation of N2O. The calculations showed that the complex with an initial O-coordination of N2O to the coordinatively unsaturated Hf center is not a local minimum. Then we proposed a new reaction mechanism to investigate how N2O is activated and why N2O selectively oxidize phenyl and hydride ligands of . Frontier molecular orbital theory analysis indicates that N2O is activated by nucleophilic attack by the phenyl or hydride ligand. Present calculations provide new insights into the activation of N2O involving the direct oxygen atom transfer from nitrous oxide to metal-ligand bonds instead of the generally observed oxygen abstraction reaction to generate metal-oxo species.

  13. An Unusual Strong Visible-Light Absorption Band in Red Anatase TiO2 Photocatalyst Induced by Atomic Hydrogen-Occupied Oxygen Vacancies.

    Science.gov (United States)

    Yang, Yongqiang; Yin, Li-Chang; Gong, Yue; Niu, Ping; Wang, Jian-Qiang; Gu, Lin; Chen, Xingqiu; Liu, Gang; Wang, Lianzhou; Cheng, Hui-Ming

    2018-02-01

    Increasing visible light absorption of classic wide-bandgap photocatalysts like TiO 2 has long been pursued in order to promote solar energy conversion. Modulating the composition and/or stoichiometry of these photocatalysts is essential to narrow their bandgap for a strong visible-light absorption band. However, the bands obtained so far normally suffer from a low absorbance and/or narrow range. Herein, in contrast to the common tail-like absorption band in hydrogen-free oxygen-deficient TiO 2 , an unusual strong absorption band spanning the full spectrum of visible light is achieved in anatase TiO 2 by intentionally introducing atomic hydrogen-mediated oxygen vacancies. Combining experimental characterizations with theoretical calculations reveals the excitation of a new subvalence band associated with atomic hydrogen filled oxygen vacancies as the origin of such band, which subsequently leads to active photo-electrochemical water oxidation under visible light. These findings could provide a powerful way of tailoring wide-bandgap semiconductors to fully capture solar light. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Influence of the oxygen concentration of atomic-layer-deposited HfO2 films on the dielectric property and interface trap density

    Science.gov (United States)

    Park, Jaehoo; Cho, Moonju; Kim, Seong Keun; Park, Tae Joo; Lee, Suk Woo; Hong, Sug Hun; Hwang, Cheol Seong

    2005-03-01

    The influence of the ozone concentration (160-370g/m3) during atomic layer deposition of HfO2-gate dielectrics on the dielectric performance of the films grown on Si was studied. Although ozone was effective in reducing the impurity concentration in the film compared to H2O, the higher concentration slightly deteriorated the dielectric performance. More importantly, the degradation in the interface trap property with increasing post-annealing temperature became more serious as the ozone concentration increased. Investigation of the interface states using x-ray photoelectron spectroscopy revealed that the excessive oxygen incorporated during the film growth made the interfacial sub-oxide species (SiO, Si2O3, and silicate) and SiO2 coordinate more with oxygen. This increased the interface trap density and degraded the interface properties.

  15. Estimates of eddy turbulence consistent with seasonal variations of atomic oxygen and its possible role in the seasonal cycle of mesopause temperature

    Directory of Open Access Journals (Sweden)

    M. N. Vlasov

    2010-11-01

    Full Text Available According to current understanding, adiabatic cooling and heating induced by the meridional circulation driven by gravity waves is the major process for the cold summer and warm winter polar upper mesosphere. However, our calculations show that the upward/downward motion needed for adiabatic cooling/heating of the summer/winter polar mesopause simultaneously induces a seasonal variation in both the O maximum density and the altitude of the [O] peak that is opposite to the observed variables generalized by the MSISE-90 model. It is usually accepted that eddy turbulence can produce the [O] seasonal variations. Using this approach, we can infer the eddy diffusion coefficient for the different seasons. Taking these results and experimental data on the eddy diffusion coefficient, we consider in detail and estimate the heating and cooling caused by eddy turbulence in the summer and winter polar upper mesosphere. The seasonal variations of these processes are similar to the seasonal variations of the temperature and mesopause. These results lead to the conclusion that heating/cooling by eddy turbulence is an important component in the energy budget and that adiabatic cooling/heating induced by upward/downward motion cannot dominate in the mesopause region. Our study shows that the impact of the dynamic process, induced by gravity waves, on [O] distributions must be included in models of thermal balance in the upper mesosphere and lower thermosphere (MLT for a consistent description because (a the [O] distribution is very sensitive to dynamic processes, and (b atomic oxygen plays a very important role in chemical heating and infrared cooling in the MLT. To our knowledge, this is the first attempt to consider this aspect of the problem.

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

    Science.gov (United States)

    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.

  17. Thermospheric atomic oxygen concentrations from WINDII O+(2P→2D) 732 nm emission: Comparisons with the NRLMSISE-00 and C-IAM models and with GUVI observations

    Science.gov (United States)

    Shepherd, Gordon G.; Cho, Young-Min; Fomichev, Victor I.; Martynenko, Oleg V.

    2016-09-01

    Thermospheric atomic oxygen concentrations have been retrieved from observations by the Wind Imaging Interferometer (WINDII) O+(2P→2D) 732 and 733 nm emissions and are compared with results obtained by the Global Ultraviolet Imager (GUVI). Although the observations compared were taken ten years apart, the periods were selected on the basis of solar activity, using the Canadian Ionosphere and Atmosphere Model (C-IAM) to bridge the time gap. Results from all of these were compared with those from the Naval Research Laboratory Mass Spectrometer and Incoherent Scatter (NRLMSISE-00) model. Comparisons were made on the basis of F10.7 solar flux, day of year, local time, season, latitude and longitude. The WINDII local time variations showed enhanced values for the Northern spring season. Latitude and longitude plots showed smooth variations for NRLMSISE-00 and large variations for both WINDII and GUVI observations; in particular a depression in atomic oxygen concentration around 40 °S latitude and 100 °E longitude that is tentatively identified with a longitudinal wave 1 that does not propagate in local time but has an annual variation. The averaged values showed the WINDII values to be 0.75 that of NRLMSISE-00 compared with 0.80 for GUVI. Thus the WINDII values agreed with those of GUVI to within 6%, although taken 10 years apart.

  18. Oxygen atom transfer and oxidative water incorporation in cuboidal Mn3MO(n) complexes based on synthetic, isotopic labeling, and computational studies.

    Science.gov (United States)

    Kanady, Jacob S; Mendoza-Cortes, Jose L; Tsui, Emily Y; Nielsen, Robert J; Goddard, William A; Agapie, Theodor

    2013-01-23

    The oxygen-evolving complex (OEC) of photosystem II contains a Mn(4)CaO(n) catalytic site, in which reactivity of bridging oxidos is fundamental to OEC function. We synthesized structurally relevant cuboidal Mn(3)MO(n) complexes (M = Mn, Ca, Sc; n = 3,4) to enable mechanistic studies of reactivity and incorporation of μ(3)-oxido moieties. We found that Mn(IV)(3)CaO(4) and Mn(IV)(3)ScO(4) were unreactive toward trimethylphosphine (PMe(3)). In contrast, our Mn(III)(2)Mn(IV)(2)O(4) cubane reacts with this phosphine within minutes to generate a novel Mn(III)(4)O(3) partial cubane plus Me(3)PO. We used quantum mechanics to investigate the reaction paths for oxygen atom transfer to phosphine from Mn(III)(2)Mn(IV)(2)O(4) and Mn(IV)(3)CaO(4). We found that the most favorable reaction path leads to partial detachment of the CH(3)COO(-) ligand, which is energetically feasible only when Mn(III) is present. Experimentally, the lability of metal-bound acetates is greatest for Mn(III)(2)Mn(IV)(2)O(4). These results indicate that even with a strong oxygen atom acceptor, such as PMe(3), the oxygen atom transfer chemistry from Mn(3)MO(4) cubanes is controlled by ligand lability, with the Mn(IV)(3)CaO(4) OEC model being unreactive. The oxidative oxide incorporation into the partial cubane, Mn(III)(4)O(3), was observed experimentally upon treatment with water, base, and oxidizing equivalents. (18)O-labeling experiments provided mechanistic insight into the position of incorporation in the partial cubane structure, consistent with mechanisms involving migration of oxide moieties within the cluster but not consistent with selective incorporation at the site available in the starting species. These results support recent proposals for the mechanism of the OEC, involving oxido migration between distinct positions within the cluster.

  19. A COUPLED CHEMISTRY-EMISSION MODEL FOR ATOMIC OXYGEN GREEN AND RED-DOUBLET EMISSIONS IN THE COMET C/1996 B2 HYAKUTAKE

    Energy Technology Data Exchange (ETDEWEB)

    Bhardwaj, Anil; Raghuram, Susarla, E-mail: bhardwaj_spl@yahoo.com, E-mail: anil_bhardwaj@vssc.gov.in, E-mail: raghuramsusarla@gmail.com [Space Physics Laboratory, Vikram Sarabhai Space Centre, Trivandrum 695022 (India)

    2012-03-20

    The green (5577 Angstrom-Sign ) and red-doublet (6300, 6364 Angstrom-Sign ) lines are prompt emissions of metastable oxygen atoms in the {sup 1}S and {sup 1}D states, respectively, that have been observed in several comets. The value of the intensity ratio of green to red-doublet (G/R ratio) of 0.1 has been used as a benchmark to identify the parent molecule of oxygen lines as H{sub 2}O. A coupled chemistry-emission model is developed to study the production and loss mechanisms of the O({sup 1}S) and O({sup 1}D) atoms and the generation of red and green lines in the coma of C/1996 B2 Hyakutake. The G/R ratio depends not only on photochemistry, but also on the projected area observed for cometary coma, which is a function of the dimension of the slit used and the geocentric distance of the comet. Calculations show that the contribution of photodissociation of H{sub 2}O to the green (red) line emission is 30%-70% (60%-90%), while CO{sub 2} and CO are the next potential sources contributing 25%-50% (<5%). The ratio of the photoproduction rate of O({sup 1} S) to O({sup 1} D) would be around 0.03 ({+-}0.01) if H{sub 2}O is the main source of oxygen lines, whereas it is {approx}0.6 if the parent is CO{sub 2}. Our calculations suggest that the yield of O({sup 1} S) production in the photodissociation of H{sub 2}O cannot be larger than 1%. The model-calculated radial brightness profiles of the red and green lines and G/R ratios are in good agreement with the observations made on the comet Hyakutake in 1996 March.

  20. A COUPLED CHEMISTRY-EMISSION MODEL FOR ATOMIC OXYGEN GREEN AND RED-DOUBLET EMISSIONS IN THE COMET C/1996 B2 HYAKUTAKE

    International Nuclear Information System (INIS)

    Bhardwaj, Anil; Raghuram, Susarla

    2012-01-01

    The green (5577 Å) and red-doublet (6300, 6364 Å) lines are prompt emissions of metastable oxygen atoms in the 1 S and 1 D states, respectively, that have been observed in several comets. The value of the intensity ratio of green to red-doublet (G/R ratio) of 0.1 has been used as a benchmark to identify the parent molecule of oxygen lines as H 2 O. A coupled chemistry-emission model is developed to study the production and loss mechanisms of the O( 1 S) and O( 1 D) atoms and the generation of red and green lines in the coma of C/1996 B2 Hyakutake. The G/R ratio depends not only on photochemistry, but also on the projected area observed for cometary coma, which is a function of the dimension of the slit used and the geocentric distance of the comet. Calculations show that the contribution of photodissociation of H 2 O to the green (red) line emission is 30%-70% (60%-90%), while CO 2 and CO are the next potential sources contributing 25%-50% ( 1 S) to O( 1 D) would be around 0.03 (±0.01) if H 2 O is the main source of oxygen lines, whereas it is ∼0.6 if the parent is CO 2 . Our calculations suggest that the yield of O( 1 S) production in the photodissociation of H 2 O cannot be larger than 1%. The model-calculated radial brightness profiles of the red and green lines and G/R ratios are in good agreement with the observations made on the comet Hyakutake in 1996 March.

  1. The double-well oscillating potential of oxygen atoms in perovskite system Ba(K)BiO sub 3 : EXAFS - analysis results

    CERN Document Server

    Menushenkov, A P; Konarev, P V; Meshkov, A A; Benazeth, S; Purans, J

    2000-01-01

    Temperature-dependent X-ray absorption investigations were made on the Bi L sub 3 -edge in Ba sub 1 sub - sub x K sub x BiO sub 3 with x=0.0, 0.4 and 0.5. For the superconducting samples (x=0.4 and 0.5) it has been found that the local structure differs from the ideal cubic in contrast to the neutron and X-ray diffraction data. The provided analysis of the EXAFS spectra indicates that the oxygen atoms move in double-well potential produced by the existence of two non-equivalent octahedral types of the oxygen environment of bismuth. The vibrations in such a potential lead to modulations of the Bi-O lengths with low frequency which is determined by the soft oxygen octahedron rotation mode frequency. This induces strong electron-phonon interaction and may be the reason for relatively high-temperature transition (T sub c approx 30 K) to the superconducting state.

  2. Hot atom labeling of myoglobin and hemoglobin and biophysical studies of oxygen and CO binding to carp hemoglobin

    International Nuclear Information System (INIS)

    Astatke, M.

    1992-01-01

    Human Hb, the monomeric Hb of Glycera dibranchiata and horse Mb were modified by replacement of the protoheme with 2,4-dibromodeuteroheme. Following neutron capture by 79 Br and 81 Br, the locations of radioactive Br were determined. Although human Hb had approximately four times the mass and volume of the other proteins, about 9% of the activated Br was inserted into each of the three globins. These results suggest that the insertion is short-range (within 15 angstrom) and that this method could be used to label target sites in various proteins and other biological structures. Carp Hb's containing proto-, meso-, deutero- and dibromoheme were prepared. Kinetic and thermodynamic parameters for oxygen and CO binding were determined at Ph 6 (+IHP) (T-state, low-affinity protein) and Ph 9 (R-state, high-affinity protein). Parameters for the binding of oxygen and CO were related to the properties of the four hemes to estimate the inductive and steric factors in the ligation process. The results suggest that the steric factors are more important for the T-state than for the R-state. The T-state carp Hbs were very readily oxidized. Two new procedures were developed for the rapid determination of oxygen equilibrium isotherms for the T-state carp Hbs. The kinetic and thermodynamic parameters for ligation of oxygen and CO with the isolated carp α-chains were determined. Carp α-chains are the only hemoglobin chains isolated to date that can be classified as T-state. The secondary thermodynamic parameter (δH degrees) was found to be essential for classifying hemoglobins as T- or R-state

  3. Atomic Ensemble and Electronic Effects in Ag-Rich AgPd Nanoalloy Catalysts for Oxygen Reduction in Alkaline Media

    OpenAIRE

    Slanac, Daniel A.; Hardin, William G.; Johnston, Keith P.; Stevenson, Keith J.

    2012-01-01

    The ability to design and characterize uniform, bimetallic alloy nanoparticles, where the less active metal enhances the activity of the more active metal, would be of broad interest in catalysis. Herein, we demonstrate that simultaneous reduction of Ag and Pd precursors provides uniform, Ag-rich AgPd alloy nanoparticles (~5 nm) with high activities for the oxygen reduction reaction (ORR) in alkaline media. The particles are crystalline and uniformly alloyed, as shown by X-ray diffraction and...

  4. PtPb/PtNi Intermetallic Core/Atomic Layer Shell Octahedra for Efficient Oxygen Reduction Electrocatalysis.

    Science.gov (United States)

    Bu, Lingzheng; Shao, Qi; E, Bin; Guo, Jun; Yao, Jianlin; Huang, Xiaoqing

    2017-07-19

    Although explosive studies on pursuing high-performance Pt-based nanomaterials for fuel cell reactions have been carried out, the combined controls of surface composition, exposed facet, and interior structure of the catalyst remains a formidable challenge. We demonstrate herein a facile chemical approach to realize a new class of intermetallic Pt-Pb-Ni octahedra for the first time. Those nanostructures with unique intermetallic core, active surface composition, and the exposed facet enhance oxygen reduction electrocatalysis with the optimized PtPb 1.12 Ni 0.14 octahedra exhibiting superior specific and mass activities (5.16 mA/cm 2 and 1.92 A/mg Pt ) for oxygen reduction reaction (ORR) that are ∼20 and ∼11 times higher than the commercial Pt/C, respectively. Moreover, the PtPb 1.12 Ni 0.14 octahedra can endure at least 15 000 cycles with negligible activity decay, showing a new class of Pt-based electrocatalysts with enhanced performance for fuel cells and beyond.

  5. Including screening in van der Waals corrected density functional theory calculations: The case of atoms and small molecules physisorbed on graphene

    International Nuclear Information System (INIS)

    Silvestrelli, Pier Luigi; Ambrosetti, Alberto

    2014-01-01

    The Density Functional Theory (DFT)/van der Waals-Quantum Harmonic Oscillator-Wannier function (vdW-QHO-WF) method, recently developed to include the vdW interactions in approximated DFT by combining the quantum harmonic oscillator model with the maximally localized Wannier function technique, is applied to the cases of atoms and small molecules (X=Ar, CO, H 2 , H 2 O) weakly interacting with benzene and with the ideal planar graphene surface. Comparison is also presented with the results obtained by other DFT vdW-corrected schemes, including PBE+D, vdW-DF, vdW-DF2, rVV10, and by the simpler Local Density Approximation (LDA) and semilocal generalized gradient approximation approaches. While for the X-benzene systems all the considered vdW-corrected schemes perform reasonably well, it turns out that an accurate description of the X-graphene interaction requires a proper treatment of many-body contributions and of short-range screening effects, as demonstrated by adopting an improved version of the DFT/vdW-QHO-WF method. We also comment on the widespread attitude of relying on LDA to get a rough description of weakly interacting systems

  6. Controlling of hydrogen and oxygen atoms in CdTe by means of far-infrared spectroscopy using synchrotron radiation

    International Nuclear Information System (INIS)

    Cebulski, J.; Sheregii, E.M.; Polit, J.; Marcelli, A.; Robouch, B.; Castelli Gudi, M.; Piccinini, M.; Kisiel, A.

    2007-01-01

    The work presents far-and middle-infrared reflectivity spectra collected with synchrotron radiation on specially prepared CdTe-monocrystals in the temperature region of 30-300 K. The investigated samples were of three different types characterized by the three different levels of hydrogenation - strong, middle and the low ones. In order to interpret the experimental data, the imaginary part of the dielectric function was evaluated by means of Kramers-Kronig transformation. To determine quantitatively the influence of hydrogen atoms on the phonon and vibrational spectra of hydrogenated CdTe crystals we used the special statistical model proposed in this paper. This model takes into account the tetrahedron as the basic structural unit and distinguishes the contribution of the hydrogen bearing tetrahedra from the contribution of the hydrogen free ones to the crystal phonon spectra. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  7. Disordering of two-dimensional oxyxgen lattices on Mo(011) initiated by electron transitions in oxygen and molybdenum atoms

    International Nuclear Information System (INIS)

    Zasimovich, I.N.; Klimenko, E.V.; Naumovets, A.G.

    1988-01-01

    The first observation of electron-induced disordering (EID) of the submonolayer film of heavier adsorbate-oxygen is reported. The investigation of energy dependence of the effective cross section of this process, which points to the fact that EID can be initiated by the electron transitions not only in adatoms, but in the substrate, is also presented. When irradiating by electrons, the sample surface cooled up to 77 K, intensity of diffraction reflects of the (2x2) and (6x2) structures decreases rather quickly, but the reflects of more dense (6x1) lattice do not practically attenuate. The conclusions are made that the knowledge of physical factors, determining the probability of radiation defect formation in an adfilm, gives the possibility either to avoid disordering, if it is undesirable, or to use it to control the surface properties

  8. Abundant Acceptor Emission from Nitrogen-Doped ZnO Films Prepared by Atomic Layer Deposition under Oxygen-Rich Conditions.

    Science.gov (United States)

    Guziewicz, E; Przezdziecka, E; Snigurenko, D; Jarosz, D; Witkowski, B S; Dluzewski, P; Paszkowicz, W

    2017-08-09

    Nitrogen-doped and undoped ZnO films were grown by thermal atomic layer deposition (ALD) under oxygen-rich conditions. Low-temperature photoluminescence spectra reveal a dominant donor-related emission at 3.36 eV and characteristic acceptor-related emissions at 3.302 and 3.318 eV. Annealing at 800 °C in oxygen atmosphere leads to conversion of conductivity from n- to p-type, which is reflected in photoluminescence spectra. Annealing does not increase any acceptor-related emission in the undoped sample, while in the ZnO:N it leads to a considerable enhancement of the photoluminescence at 3.302 eV. The high resolution cathodoluminescence cross-section images show different spatial distribution of the donor-related and the acceptor-related emissions, which complementarily contribute to the overall luminescence of the annealed ZnO:N material. Similar area of both emissions indicates that the acceptor luminescence comes neither from the grain boundaries nor from stacking faults. Moreover, in ZnO:N the acceptor-emission regions are located along the columns of growth, which shows a perspective to achieve a ZnO:N material with homogeneous acceptor conductivity at least at the micrometer scale.

  9. Nuclear energy - Uranium dioxide powder and sintered pellets - Determination of oxygen/uranium atomic ratio by the amperometric method. 2. ed.

    International Nuclear Information System (INIS)

    2007-01-01

    This International Standard specifies an analytical method for the determination of the oxygen/uranium atomic ratio in uranium dioxide powder and sintered pellets. The method is applicable to reactor grade samples of hyper-stoichiometric uranium dioxide powder and pellets. The presence of reducing agents or residual organic additives invalidates the procedure. The test sample is dissolved in orthophosphoric acid, which does not oxidize the uranium(IV) from UO 2 molecules. Thus, the uranium(VI) that is present in the dissolved solution is from UO 3 and/or U 3 O 8 molecules only, and is proportional to the excess oxygen in these molecules. The uranium(VI) content of the solution is determined by titration with a previously standardized solution of ammonium iron(II) sulfate hexahydrate in orthophosphoric acid. The end-point of the titration is determined amperometrically using a pair of polarized platinum electrodes. The oxygen/uranium ratio is calculated from the uranium(VI) content. A portion, weighing about 1 g, of the test sample is dissolved in orthophosphoric acid. The dissolution is performed in an atmosphere of nitrogen or carbon dioxide when sintered material is being analysed. When highly sintered material is being analysed, the dissolution is performed at a higher temperature in purified phosphoric acid from which the water has been partly removed. The cooled solution is titrated with an orthophosphoric acid solution of ammonium iron(II) sulfate, which has previously been standardized against potassium dichromate. The end-point of the titration is detected by the sudden increase of current between a pair of polarized platinum electrodes on the addition of an excess of ammonium iron(II) sulfate solution. The paper provides information about scope, principle, reactions, reagents, apparatus, preparation of test sample, procedure (uranium dioxide powder, sintered pellets of uranium dioxide, highly sintered pellets of uranium dioxide and determination

  10. Laboratory Studies of Stratospheric Bromine Chemistry: Kinetics of the Reactions of Bromine Monoxide with Nitrogen Dioxide and Atomic Oxygen.

    Science.gov (United States)

    Thorn, Robert Peyton, Jr.

    A laser flash photolysis - long path absorption technique has been employed to study the kinetics of the reaction rm BrO + NO_2 + M{k _{16}atopto} products as a function of temperature (248-346 K), pressure (16 -800 Torr), and buffer gas identity (rm N _2,CF_4). 351 nm photolysis of rm NO_2/Br_2/N_2 mixtures generated BrO. The BrO decay in the presence of excess NO_2 was followed by UV absorption at 338.3 nm. The reaction is in the falloff regime between third and second order over the entire range of conditions investigated. This is the first study where temperature dependent measurements of k_{16} (P,T) have been reported at pressures greater than 12 Torr; hence, these results help constrain choices of k_{16}(P,T) for use in modeling stratospheric BrO_{rm x} chemistry. The kinetics of the important stratospheric reaction rm BrO+O(^3P)_sp{to }{k_{14}}Br+O_2 in N_2 buffer gas have been studied as a function of temperature (233-328 K) and pressure (25 -150 Torr) using a novel dual laser flash photolysis/long path absorption/resonance fluorescence technique. 248 nm pulsed laser photolysis of rm Br_2/O _3/N_2 mixtures produces O atoms in excess over Br_2. After a delay sufficient for BrO to be generated, a 532 nm laser pulse photolyses a small fraction of the O_3 to generate O(^3P). The decay of O(^3P) in the presence of an excess, known concentration of BrO, as determined by UV absorption at 338.3 nm and by numerical simulation, is then followed by time-resolved atomic resonance fluorescence spectroscopy. The experimental results have shown the reaction kinetics to be independent of pressure, to increase with decreasing temperature, and to be faster than suggested by the only previous (indirect) measurement. The resulting Anhenius expression for k_{14}(T) is given below.rm k_{14 }(T) = 1.64times 10^{-11} exp (263/T) cm^3 molecule ^{-1} s^{-1} The absolute accuracy of k_{14 }(T) at any temperature within the range studied is estimated to be +/-25%. Possible kinetic

  11. Accurate Bond Lengths to Hydrogen Atoms from Single?Crystal X?ray Diffraction by Including Estimated Hydrogen ADPs and Comparison to Neutron and QM/MM Benchmarks

    OpenAIRE

    Dittrich, Birger; L?bben, Jens; Mebs, Stefan; Wagner, Armin; Luger, Peter; Flaig, Ralf

    2017-01-01

    Abstract Amino acid structures are an ideal test set for method?development studies in crystallography. High?resolution X?ray diffraction data for eight previously studied genetically encoding amino acids are provided, complemented by a non?standard amino acid. Structures were re?investigated to study a widely applicable treatment that permits accurate X?H bond lengths to hydrogen atoms to be obtained: this treatment combines refinement of positional hydrogen?atom parameters with aspherical s...

  12. Interaction of atomic oxygen with thin film and bulk copper: An XPS, AES, XRD, and profilometer study

    Science.gov (United States)

    Raikar, Genesh N.; Gregory, John C.; Christl, Ligia C.; Peters, Palmer N.

    1992-01-01

    The University of Alabama in Huntsville (UAH) experiment A-0114 was designed primarily to study degradation of material surfaces due to low earth orbital (LEO) atmospheric oxygen. The experiment contained 128 one inch circular samples: metals, polymers, carbons, and semiconductors. Among metal samples, copper has shown some interesting new results. Two types of copper samples, a film sputter coated on fused silica and a bulk piece of OFHC copper, were characterized employing a variety of techniques such as X-ray and Auger electron spectroscopies, X-ray diffraction, and high resolution profilometry. Cu 2p core level spectra were used to characterize the presence of Cu2O and CuO in addition to Cu Auger LMM lines. These results are supported by our recent X-ray diffraction studies which clearly establish the presence of Cu oxides which we were unable to prove in our earlier work. Profilometry showed an increase in thickness of the film sample where exposed to 106.7 +/- 0.5 nm from an initial thickness of 74.2 +/- 1.1 nm. Further studies with SEM and ellipsometry are underway.

  13. Two-dimensional iron-phthalocyanine (Fe-Pc) monolayer as a promising single-atom-catalyst for oxygen reduction reaction: a computational study

    Science.gov (United States)

    Wang, Yu; Yuan, Hao; Li, Yafei; Chen, Zhongfang

    2015-07-01

    Searching for low-cost non-Pt catalysts for oxygen reduction reaction (ORR) has been a key scientific issue in the development of fuel cells. In this work, the potential of utilizing the experimentally available two-dimensional (2D) Fe-phthalocyanine (Fe-Pc) monolayer with precisely-controlled distribution of Fe atoms as a catalyst of ORR was systematically explored by means of comprehensive density functional theory computations. The computations revealed that O2 molecules can be sufficiently activated on the surface of the Fe-Pc monolayer, and the subsequent ORR steps prefer to proceed on the Fe-Pc monolayer through a more efficient 4e pathway with a considerable limiting potential of 0.68 V. Especially, the Fe-Pc monolayer is more stable than the Fe-Pc molecule in acidic medium, and can present good catalytic performance for ORR on the addition of axial ligands. Therefore, the Fe-Pc monolayer is quite a promising single-atom-catalyst with high efficiency for ORR in fuel cells.Searching for low-cost non-Pt catalysts for oxygen reduction reaction (ORR) has been a key scientific issue in the development of fuel cells. In this work, the potential of utilizing the experimentally available two-dimensional (2D) Fe-phthalocyanine (Fe-Pc) monolayer with precisely-controlled distribution of Fe atoms as a catalyst of ORR was systematically explored by means of comprehensive density functional theory computations. The computations revealed that O2 molecules can be sufficiently activated on the surface of the Fe-Pc monolayer, and the subsequent ORR steps prefer to proceed on the Fe-Pc monolayer through a more efficient 4e pathway with a considerable limiting potential of 0.68 V. Especially, the Fe-Pc monolayer is more stable than the Fe-Pc molecule in acidic medium, and can present good catalytic performance for ORR on the addition of axial ligands. Therefore, the Fe-Pc monolayer is quite a promising single-atom-catalyst with high efficiency for ORR in fuel cells. Electronic

  14. Myeloid-derived suppressor cells in murine AIDS inhibit B-cell responses in part via soluble mediators including reactive oxygen and nitrogen species, and TGF-β.

    Science.gov (United States)

    Rastad, Jessica L; Green, William R

    2016-12-01

    Monocytic myeloid-derived suppressor cells (M-MDSCs) were increased during LP-BM5 retroviral infection, and were capable of suppressing not only T-cell, but also B-cell responses. In addition to previously demonstrating iNOS- and VISTA-dependent M-MDSC mechanisms, in this paper, we detail how M-MDSCs utilized soluble mediators, including the reactive oxygen and nitrogen species superoxide, peroxynitrite, and nitric oxide, and TGF-β, to suppress B cells in a predominantly contact-independent manner. Suppression was independent of cysteine-depletion and hydrogen peroxide production. When two major mechanisms of suppression (iNOS and VISTA) were eliminated in double knockout mice, M-MDSCs from LP-BM5-infected mice were able to compensate using other, soluble mechanisms in order to maintain suppression of B cells. The IL-10 producing regulatory B-cell compartment was among the targets of M-MDSC-mediated suppression. Copyright © 2016 Elsevier Inc. All rights reserved.

  15. Growth models of coexisting p(2 × 1) and c(6 × 2) phases on an oxygen-terminated Cu(110) surface studied by noncontact atomic force microscopy at 78 K.

    Science.gov (United States)

    Li, Yan Jun; Lee, Seung Hwan; Kinoshita, Yukinori; Ma, Zong Min; Wen, Huanfei; Nomura, Hikaru; Naitoh, Yoshitaka; Sugawara, Yasuhiro

    2016-05-20

    We present an experimental study of coexisting p(2 × 1) and c(6 × 2) phases on an oxygen-terminated Cu(110) surface by noncontact atomic force microscopy (NC-AFM) at 78 K. Ball models of the growth processes of coexisting p(2 × 1)/c(6 × 2) phases on a terrace and near a step are proposed. We found that the p(2 × 1) and c(6 × 2) phases are grown from the super Cu atoms on both sides of O-Cu-O rows of an atomic spacing. In this paper, we summarize our investigations of an oxygen-terminated Cu(110) surface by NC-AFM employing O- and Cu-terminated tips. Also, we state several problems and issues for future investigation.

  16. Reactive oxygen species-based measurement of the dependence of the Coulomb nanoradiator effect on proton energy and atomic Z value.

    Science.gov (United States)

    Seo, Seung-Jun; Jeon, Jae-Kun; Han, Sung-Mi; Kim, Jong-Ki

    2017-11-01

    The Coulomb nanoradiator (CNR) effect produces the dose enhancement effects from high-Z nanoparticles under irradiation with a high-energy ion beam. To gain insight into the radiation dose and biological significance of the CNR effect, the enhancement of reactive oxygen species (ROS) production from iron oxide or gold NPs (IONs or AuNPs, respectively) in water was investigated using traversing proton beams. The dependence of nanoradiator-enhanced ROS production on the atomic Z value and proton energy was investigated. Two biologically important ROS species were measured using fluorescent probes specific to •OH or [Formula: see text] in a series of water phantoms containing either AuNPs or IONs under irradiation with a 45- or 100-MeV proton beam. The enhanced generation of hydroxyl radicals (•OH) and superoxide anions ([Formula: see text]) was determined to be caused by the dependence on the NP concentration and proton energy. The proton-induced Au or iron oxide nanoradiators exhibited different ROS enhancement rates depending on the proton energy, suggesting that the CNR radiation varied. The curve of the superoxide anion production from the Au-nanoradiator showed strong non-linearity, unlike the linear behavior observed for hydroxyl radical production and the X-ray photoelectric nanoradiator. In addition, the 45-MeV proton-induced Au nanoradiator exhibited an ROS enhancement ratio of 8.54/1.50 ([Formula: see text] / •OH), similar to that of the 100-KeV X-ray photoelectric Au nanoradiator (7.68/1.46). The ROS-based detection of the CNR effect revealed its dependence on the proton beam energy, dose and atomic Z value and provided insight into the low-linear energy transfer (LET) CNR radiation, suggesting that these factors may influence the therapeutic efficacy via chemical reactivities, transport behaviors, and intracellular oxidative stress.

  17. Deviation from normal Boltzmann distribution of high-lying energy levels of iron atom excited by Okamoto-cavity microwave-induced plasmas using pure nitrogen and nitrogen–oxygen gases

    International Nuclear Information System (INIS)

    Wagatsuma, Kazuaki

    2015-01-01

    This paper describes several interesting excitation phenomena occurring in a microwave-induced plasma (MIP) excited with Okamoto-cavity, especially when a small amount of oxygen was mixed with nitrogen matrix in the composition of the plasma gas. An ion-to-atom ratio of iron, which was estimated from the intensity ratio of ion to atomic lines having almost the same excitation energy, was reduced by adding oxygen gas to the nitrogen MIP, eventually contributing to an enhancement in the emission intensities of the atomic lines. Furthermore, Boltzmann plots for iron atomic lines were observed in a wide range of the excitation energy from 3.4 to 6.9 eV, indicating that plots of the atomic lines having lower excitation energies (3.4 to 4.8 eV) were well fitted on a straight line while those having more than 5.5 eV deviated upwards from the linear relationship. This overpopulation would result from any other excitation process in addition to the thermal excitation that principally determines the Boltzmann distribution. A Penning-type collision with excited species of nitrogen molecules probably explains this additional excitation mechanism, in which the resulting iron ions recombine with captured electrons, followed by cascade de-excitations between closely-spaced excited levels just below the ionization limit. As a result, these high-lying levels might be more populated than the low-lying levels of iron atom. The ionization of iron would be caused less actively in the nitrogen–oxygen plasma than in a pure nitrogen plasma, because excited species of nitrogen molecule, which can provide the ionization energy in a collision with iron atom, are consumed through collisions with oxygen molecules to cause their dissociation. It was also observed that the overpopulation occurred to a lesser extent when oxygen gas was added to the nitrogen plasma. The reason for this was also attributed to decreased number density of the excited nitrogen species due to collisions with oxygen

  18. Influence of Oxygen Pressure on the Domain Dynamics and Local Electrical Properties of BiFe0.95Mn0.05O3 Thin Films Studied by Piezoresponse Force Microscopy and Conductive Atomic Force Microscopy

    Directory of Open Access Journals (Sweden)

    Kunyu Zhao

    2017-11-01

    Full Text Available In this work, we have studied the microstructures, nanodomains, polarization preservation behaviors, and electrical properties of BiFe0.95Mn0.05O3 (BFMO multiferroic thin films, which have been epitaxially created on the substrates of SrRuO3, SrTiO3, and TiN-buffered (001-oriented Si at different oxygen pressures via piezoresponse force microscopy and conductive atomic force microscopy. We found that the pure phase state, inhomogeneous piezoresponse force microscopy (PFM response, low leakage current with unidirectional diode-like properties, and orientation-dependent polarization reversal properties were found in BFMO thin films deposited at low oxygen pressure. Meanwhile, these films under high oxygen pressures resulted in impurities in the secondary phase in BFMO films, which caused a greater leakage that hindered the polarization preservation capability. Thus, this shows the important impact of the oxygen pressure on modulating the physical effects of BFMO films.

  19. Accurate Bond Lengths to Hydrogen Atoms from Single-Crystal X-ray Diffraction by Including Estimated Hydrogen ADPs and Comparison to Neutron and QM/MM Benchmarks.

    Science.gov (United States)

    Dittrich, Birger; Lübben, Jens; Mebs, Stefan; Wagner, Armin; Luger, Peter; Flaig, Ralf

    2017-04-03

    Amino acid structures are an ideal test set for method-development studies in crystallography. High-resolution X-ray diffraction data for eight previously studied genetically encoding amino acids are provided, complemented by a non-standard amino acid. Structures were re-investigated to study a widely applicable treatment that permits accurate X-H bond lengths to hydrogen atoms to be obtained: this treatment combines refinement of positional hydrogen-atom parameters with aspherical scattering factors with constrained "TLS+INV" estimated hydrogen anisotropic displacement parameters (H-ADPs). Tabulated invariom scattering factors allow rapid modeling without further computations, and unconstrained Hirshfeld atom refinement provides a computationally demanding alternative when database entries are missing. Both should incorporate estimated H-ADPs, as free refinement frequently leads to over-parameterization and non-positive definite H-ADPs irrespective of the aspherical scattering model used. Using estimated H-ADPs, both methods yield accurate and precise X-H distances in best quantitative agreement with neutron diffraction data (available for five of the test-set molecules). This work thus solves the last remaining problem to obtain such results more frequently. Density functional theoretical QM/MM computations are able to play the role of an alternative benchmark to neutron diffraction. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Laser cooling of CaBr molecules and production of ultracold Br atoms: A theoretical study including spin-orbit coupling.

    Science.gov (United States)

    Fu, Mingkai; Ma, Haitao; Cao, Jianwei; Bian, Wensheng

    2017-04-07

    Owing to the exciting potential applications of ultracold atoms and molecules in many fields, developing new cooling schemes has attracted great interests in recent years. Here, we investigate laser cooling of CaBr molecules and design a photonic scheme for the production of ultracold Br atoms using the highly accurate ab initio and dynamical methods. We find that the AΠ1/22(ν ' =0)→X 2 Σ 1/2 + (ν=0) transition for CaBr features a large vibrational branching ratio, a significant photon-scattering rate, and no intermediate electronic-state interference, indicating that the ultracold CaBr could be produced through a three-laser cooling scheme. Moreover, an efficient four-pulse excitation scheme from the ground rovibrational level of the cooled CaBr molecules is proposed to yield ultracold Br atoms, in which a few spin-orbit excited states are utilized as the intermediate states. The importance of the spin-orbit coupling is underscored in this work.

  1. Atomic physics

    International Nuclear Information System (INIS)

    Armbruster, P.; Beyer, H.; Bosch, F.; Dohmann, H.D.; Kozhuharov, C.; Liesen, D.; Mann, R.; Mokler, P.H.

    1984-01-01

    The heavy ion accelerator UNILAC is well suited to experiments in the field of atomic physics because, with the aid of high-energy heavy ions atoms can be produced in exotic states - that is, heavy atoms with only a few electrons. Also, in close collisions of heavy ions (atomic number Z 1 ) and heavy target atoms (Z 2 ) short-lived quasi-atomic 'superheavy' systems will be formed - huge 'atoms', where the inner electrons are bound in the field of the combined charge Z 1 + Z 2 , which exceeds by far the charge of the known elements (Z <= 109). Those exotic or transient superheavy atoms delivered from the heavy ion accelerator make it possible to study for the first time in a terrestrial laboratory exotic, but fundamental, processes, which occur only inside stars. Some of the basic research carried out with the UNILAC is discussed. This includes investigation of highly charged heavy atoms with the beam-foil method, the spectroscopy of highly charged slow-recoil ions, atomic collision studies with highly ionised, decelerated ions and investigations of super-heavy quasi-atoms. (U.K.)

  2. Renner-Teller effect in linear tetra-atomic molecules. I. Variational method including couplings between all degrees of freedom on six-dimensional potential energy surfaces

    Science.gov (United States)

    Jutier, L.; Léonard, C.; Gatti, F.

    2009-04-01

    For electronically degenerate states of linear tetra-atomic molecules, a new method is developed for the variational treatment of the Renner-Teller and spin-orbit couplings. The approach takes into account all rotational and vibrational degrees of freedom, the dominant couplings between the corresponding angular momenta as well as the couplings with the electronic and electron spin angular momenta. The complete rovibrational kinetic energy operator is expressed in Jacobi coordinates, where the rovibrational angular momenta ĴN have been replaced by L̂ez-Ŝ and the spin-orbit coupling has been described by the perturbative term ASO×L̂ezṡŜz. Attention has been paid on the electronic wave functions, which require additional phase for linear tetra-atomic molecules. Our implemented rovibrational basis functions and the integration of the different parts of the total Hamiltonian operator are described. This new variational approach is tested on the electronic ground state X Π2u of HCCH+ for which new six-dimensional potential energy surfaces have been computed using the internally contracted multireference configuration interaction method and the cc-pV5Z basis set. The calculated rovibronic energies and their comparisons with previous theoretical and experimental works are presented in the next paper.

  3. Role of atomic oxygen in the low-temperature growth of YBa2Cu3O/sub 7-//sub δ/ thin films by laser ablation deposition

    International Nuclear Information System (INIS)

    Koren, G.; Gupta, A.; Baseman, R.J.

    1989-01-01

    Thin films of YBa 2 Cu 3 O/sub 7-//sub δ/ were deposited on (100) SrTiO 3 substrates held at 600 and 700 0 C in N 2 O and O 2 ambients using 355 nm Nd-YAG laser pulses for ablation of the target. The experiments were done either in the presence or absence of 193 nm excimer laser irradiation of the ambient gas between the target and the substrate. Results without the excimer irradiation show that in 0.2 Torr of both N 2 O and O 2 , at 700 0 C substrate surface temperature, excellent smooth films with T/sub c/ (R = 0) of 93 K and J/sub c/ (88 K) of 1.3 x 10 6 A/cm 2 were obtained. At 600 0 C, semiconducting films with no superconducting transition were obtained in O 2 ambient, whereas in N 2 O, semiconducting normal state behavior with broad superconducting transition was found. With the 193 nm irradiation, no change was observed in the electrical properties of the films deposited in O 2 at 600 0 C, whereas in N 2 O reasonably good superconducting films with normal metallic behavior and T/sub c/ (R = 0) of 84 K were found. Since the 193 nm photons hardly dissociate O 2 molecules, but very efficiently photodissociate the N 2 O molecules to form N 2 and O( 1 D), it is concluded that the atomic oxygen produced by photodissociation of N 2 O is responsible for the superconducting film deposition at 600 0 C

  4. Synthesis, Properties, Calculations and Applications of Small Molecular Host Materials Containing Oxadiazole Units with Different Nitrogen and Oxygen Atom Orientations for Solution-Processable Blue Phosphorescent OLEDs

    Science.gov (United States)

    Ye, Hua; Wu, Hongyu; Chen, Liangyuan; Ma, Songhua; Zhou, Kaifeng; Yan, Guobing; Shen, Jiazhong; Chen, Dongcheng; Su, Shi-Jian

    2018-02-01

    A series of new small molecules based on symmetric electron-acceptor of 1,3,4-oxadiazole moiety or its asymmetric isomer of 1,2,4-oxadiazole unit were successfully synthesized and applied to solution-processable blue phosphorescent organic light-emitting diodes for the first time, and their thermal, photophysical, electrochemical properties and density functional theory calculations were studied thoroughly. Due to the high triplet energy levels (E T, 2.82-2.85 eV), the energy from phosphorescent emitter of iridium(III) bis[(4,6-difluorophenyl)-pyridinate-N,C2']picolinate (FIrpic) transfer to the host molecules could be effectively suppressed and thus assuring the emission of devices was all from FIrpic. In comparison with the para-mode conjugation in substitution of five-membered 1,3,4-oxadiazole in 134OXD, the meta-linkages of 1,2,4-isomer appending with two phenyl rings cause the worse conjugation degree and the electron delocalization as well as the lower electron-withdrawing ability for the other 1,2,4-oxadiazole-based materials. Noting that the solution-processed device based on 134OXD containing 1,3,4-oxadiazole units without extra vacuum thermal-deposited hole/exciton-blocking layer and electron-transporting layer showed the highest maximum current efficiency (CEmax) of 8.75 cd/A due to the excellent charge transporting ability of 134OXD, which far surpassed the similar devices based on other host materials containing 1,2,4-oxadiazole units. Moreover, the device based on 134OXD presented small efficiency roll-off with current efficiency (CE) of 6.26 cd/A at high brightness up to 100 cd/m2. This work demonstrates different nitrogen and oxygen atom orientations of the oxadiazole-based host materials produce major impact on the optoelectronic characteristics of the solution-processable devices.

  5. Atomic physics

    International Nuclear Information System (INIS)

    Anon.

    1976-01-01

    Research activities in atomic physics at Lawrence Berkeley Laboratory during 1976 are described. Topics covered include: experiments on stored ions; test for parity violation in neutral weak currents; energy conservation and astrophysics; atomic absorption spectroscopy, atomic and molecular detectors; theoretical studies of quantum electrodynamics and high-z ions; atomic beam magnetic resonance; radiative decay from the 2 3 Po, 2 levels of helium-like argon; quenching of the metastable 2S/sub 1/2/ state of hydrogen-like argon in an external electric field; and lifetime of the 2 3 Po level of helium-like krypton

  6. Atom Skimmers and Atom Lasers Utilizing Them

    Science.gov (United States)

    Hulet, Randall; Tollett, Jeff; Franke, Kurt; Moss, Steve; Sackett, Charles; Gerton, Jordan; Ghaffari, Bita; McAlexander, W.; Strecker, K.; Homan, D.

    2005-01-01

    Atom skimmers are devices that act as low-pass velocity filters for atoms in thermal atomic beams. An atom skimmer operating in conjunction with a suitable thermal atomic-beam source (e.g., an oven in which cesium is heated) can serve as a source of slow atoms for a magneto-optical trap or other apparatus in an atomic-physics experiment. Phenomena that are studied in such apparatuses include Bose-Einstein condensation of atomic gases, spectra of trapped atoms, and collisions of slowly moving atoms. An atom skimmer includes a curved, low-thermal-conduction tube that leads from the outlet of a thermal atomic-beam source to the inlet of a magneto-optical trap or other device in which the selected low-velocity atoms are to be used. Permanent rare-earth magnets are placed around the tube in a yoke of high-magnetic-permeability material to establish a quadrupole or octupole magnetic field leading from the source to the trap. The atoms are attracted to the locus of minimum magnetic-field intensity in the middle of the tube, and the gradient of the magnetic field provides centripetal force that guides the atoms around the curve along the axis of the tube. The threshold velocity for guiding is dictated by the gradient of the magnetic field and the radius of curvature of the tube. Atoms moving at lesser velocities are successfully guided; faster atoms strike the tube wall and are lost from the beam.

  7. SOME REACTIONS OF OXYGEN ATOMS. VOLUME II: ETHYLENE OXIDE, DIMETHYL ETHER, N-C4H10, N-C7H16, AND ISOOCTANE.

    Science.gov (United States)

    REACTION KINETICS, OXYGEN), PRODUCTION, DECOMPOSITION, NITROGEN COMPOUNDS, OXIDES, PHOTOCHEMICAL REACTIONS, MERCURY, EXCITATION, PROPENES, FLUORINE COMPOUNDS, ETHYLENE OXIDE , ETHERS, BUTANES, ALKANES, INFRARED SPECTRA.

  8. Effect of pH, water activity and gel micro-structure, including oxygen profiles and rheological characterization, on the growth kinetics of Salmonella Typhimurium.

    Science.gov (United States)

    Theys, T E; Geeraerd, A H; Verhulst, A; Poot, K; Van Bree, I; Devlieghere, F; Moldenaers, P; Wilson, D; Brocklehurst, T; Van Impe, J F

    2008-11-30

    In this study, the growth of Salmonella Typhimurium in Tryptic Soy Broth was examined at different pH (4.50-5.50), water activity a(w) (0.970-0.992) and gelatin concentration (0%, 1% and 5% ) at 20 degrees C. Experiments in TSB with 0% gelatin were carried out in shaken erlenmeyers, in the weak 1% gelatin media in petri plates and in the firm 5% gelatin media in gel cassettes. A quantification of gel strength was performed by rheological measurements and the influence of oxygen supply on the growth of S. Typhimurium was investigated. pH, as well as a(w) as well as gelatin concentration had an influence on the growth rate. Both in broth and in gelatinized media, lowering pH or water activity caused a decrease of growth rate. In media with 1% gelatin a reduction of growth rate and maximal cell density was observed compared to broth at all conditions. However, the effects of decreasing pH and a(w) were less pronounced. A further increase in gelatin concentration to 5% gelatin caused a small or no additional drop of growth rate. The final oxygen concentration dropped from 5.5 ppm in stirred broth to anoxic values in petri plates, also when 0% and 5% gelatin media were tested in this recipient. Probably, not stirring the medium, which leads to anoxic conditions, has a more pronounced effect on the growth rate of S. Typhimurium then medium solidness. Finally, growth data were fitted with the primary model of Baranyi and Roberts [Baranyi, J. and Roberts, T. A., 1994. A dynamic approach to predicting bacterial growth in food. International Journal of Food Microbiology 23, 277-294]. An additional factor was introduced into the secondary model of Ross et al. [Ross, T. and Ratkowsky, D. A. and Mellefont, L. A. and McMeekin, T. A., 2003. Modelling the effects of temperature, water activity, pH and lactic acid concentration on the growth rate of Escherichia coli. International Journal of Food Microbiology 82, 33-43.] to incorporate the effect of gelatin concentration, next to

  9. Endothelin-2/Vasoactive Intestinal Contractor: Regulation of Expression via Reactive Oxygen Species Induced by CoCl22, and Biological Activities Including Neurite Outgrowth in PC12 Cells

    Directory of Open Access Journals (Sweden)

    Eiichi Kotake-Nara

    2006-01-01

    Full Text Available This paper reviews the local hormone endothelin-2 (ET-2, or vasoactive intestinal contractor (VIC, a member of the vasoconstrictor ET peptide family, where ET-2 is the human orthologous peptide of the murine VIC. While ET-2/VIC gene expression has been observed in some normal tissues, ET-2 recently has been reported to act as a tumor marker and as a hypoxia-induced autocrine survival factor in tumor cells. A recently published study reported that the hypoxic mimetic agent CoCl2 at 200 µM increased expression of the ET-2/VIC gene, decreased expression of the ET-1 gene, and induced intracellular reactive oxygen species (ROS increase and neurite outgrowth in neuronal model PC12 cells. The ROS was generated by addition of CoCl2 to the culture medium, and the CoCl2-induced effects were completely inhibited by the antioxidant N-acetyl cysteine. Furthermore, interleukin-6 (IL-6 gene expression was up-regulated upon the differentiation induced by CoCl2. These results suggest that expression of ET-2/VIC and ET-1 mediated by CoCl2-induced ROS may be associated with neuronal differentiation through the regulation of IL-6 expression. CoCl2 acts as a pro-oxidant, as do Fe(II, III and Cu(II. However, some biological activities have been reported for CoCl2 that have not been observed for other metal salts such as FeCl3, CuSO4, and NiCl2. The characteristic actions of CoCl2 may be associated with the differentiation of PC12 cells. Further elucidation of the mechanism of neurite outgrowth and regulation of ET-2/VIC expression by CoCl2 may lead to the development of treatments for neuronal disorders.

  10. Impurities of oxygen in silicon

    International Nuclear Information System (INIS)

    Gomes, V.M.S.

    1985-01-01

    The electronic structure of oxygen complex defects in silicon, using molecular cluster model with saturation by watson sphere into the formalism of Xα multiple scattering method is studied. A systematic study of the simulation of perfect silicon crystal and an analysis of the increasing of atom number in the clusters are done to choose the suitable cluster for the calculations. The divacancy in three charge states (Si:V 2 + , Si:V 2 0 , Si:V 2 - ), of the oxygen pair (Si:O 2 ) and the oxygen-vacancy pair (Si:O.V) neighbours in the silicon lattice, is studied. Distortions for the symmetry were included in the Si:V 2 + and Si:O 2 systems. The behavior of defect levels related to the cluster size of Si:V 2 0 and Si:O 2 systems, the insulated oxygen impurity of silicon in interstitial position (Si:O i ), and the complexes involving four oxygen atoms are analysed. (M.C.K.) [pt

  11. Atomic oxygen effect on the in situ growth of stoichiometric YBa2Cu3O7 - delta epitaxial films by facing targets 90° off-axis radiofrequency magnetron sputtering

    Science.gov (United States)

    Oya, Gin-ichiro; Diao, Chien Chen; Imai, Syozo; Uzawa, Takaaki; Sawada, Yasuji; Sugai, Tokuko; Nakajima, Kensuke; Yamashita, Tsutomu

    1995-06-01

    (110)- and (103)-oriented almost stoichiometric YBa2Cu3O7-δ (YBCO) films have been grown epitaxially on hot SrTiO3 (110) substrates using a 90° off-axis rf magnetron sputtering technique, for fabrication of vertical sandwich-type YBCO/insulator/YBCO or YBCO/normal metal/YBCO Josephson junctions utilizing the high-quality YBCO films. The YBCO epitaxial films with high transition temperatures Tc of ˜90 K have been deposited in situ only under the conditions of substrate temperatures Ts of ˜650-˜700 °C and oxygen partial pressure PO2 of ˜5×10-3-˜10×10-3 Torr, which are in close proximity to the critical stability/decomposition line for YBa2Cu3O6 in the ordinary Y-Ba-Cu-O phase diagram. Using a quadrupole mass spectrometer, a high density of atomic oxygen has directly been observed to be efficiently produced in the sputter glow discharge under the above optimum conditions of PO2. This atomic oxygen has played a key role in promoting the formation of the perovskite structure and the epitaxial growth of the YBCO films. Furthermore, Shapiro steps have successfully been observed for a Nb-YBCO point-contact junction, which is made by pressing a Nb needle on a surface-etched YBCO epitaxial film, under 525.4 GHz submillimeter-wave irradiation.

  12. Containerless high temperature property measurements by atomic fluorescence

    Science.gov (United States)

    Nordine, P. C.; Schiffman, R. A.

    1982-01-01

    Laser induced fluorescence techniques were developed for the containerless study of high temperature processes, material properties, levitation, and heating techniques for containerless earth-based experimentation. Experiments were performed in which fluorescence of atomic aluminum, mercury, or tungsten were studied. These experiments include measurements of: (1) Al atom evaporation from CW CO2 laser heated and aerodynamically levitated sapphire and alumina spheres, and self-supported sapphire filaments, (2) Al atom reaction with ambient oxygen in the wake of a levitated specimen, (3) Hg atom concentrations in the wake of levitated alumina and sapphire spheres, relative to the ambient Hg atom concentration, (4) Hg atom concentrations in supersonic levitation jets, and (5) metastable, electronically excited W atom concentrations produced by evaporation of an electrically heated tungsten filament.

  13. Activation of surface lattice oxygen in single-atom Pt/CeO 2 for low-temperature CO oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Nie, Lei; Mei, Donghai; Xiong, Haifeng; Peng, Bo; Ren, Zhibo; Pereira Hernandez, Xavier I.; DelaRiva, Andrew; Wang, Meng; Engelhard, Mark H.; Kovarik, Libor; Datye, Abhaya K.; Wang, Yong

    2017-12-14

    While single-atom catalysts can provide high catalytic activity and selectivity, application in industrial catalysts demands long term performance and the ability to regenerate the catalysts. We have investigated the factors that lead to improved catalytic activity of a Pt/CeO2 catalyst for low temperature CO oxidation. Single-atom Pt/CeO2 becomes active for CO oxidation under lean condition only at elevated temperatures, because CO is strongly bound to ionic Pt sites. Reducing the catalyst, even under mild conditions, leads to onset of CO oxidation activity even at room temperature. This high activity state involves the transformation of mononuclear Pt species to sub-nanometer sized Pt particles. Under oxidizing conditions, the Pt can be restored to its stable, single-atom state. The key to facile regeneration is the ability to create mobile Pt species and suitable trapping sites on the support, making this a prototypical catalyst system for industrial application of single-atom catalysis.

  14. Atomic politics

    International Nuclear Information System (INIS)

    Skogmar, G.

    1979-01-01

    The authors basic point is that the military and civil sides of atomic energy cannot be separated. The general aim of the book is to analyze both the military and civil branches, and the interdependence between them, of American foreign policy in the atomic field. Atomic policy is seen as one of the most important imstruments of foreign policy which, in turn, is seen against the background of American imperialism in general. Firstly, the book investigates the most important means by which the United States has controlled the development in the nuclear field in other countries. These means include influencing the conditions of access to nuclear resources of various kinds, influencing the flow of technical-economic information and influencing international organizations and treaties bearing on atomic energy. The time period treated is 1945-1973. 1973 is chosen as the end-year of the study mainly because of the new conditions in the whole energy field initiated by the oil crisis in that year. The sources of the empirical work are mainly hearings before the Joint Committee on Atomic Energy of the U.S. Congress and legal material of various kinds. Secondly, the goals of the American policy are analyzed. The goals identified are armament effect, non-proliferation (horizontal), sales, and energy dependence. The relation between the main goals is discussed.The discussion is centered on the interdependence between the military and the civil aspects, conflict and coincidence of various goals, the relation between short-term and long-term goals, and the possibilities of using one goal as pretext for another. Thirdly, some causes of the changes in the atomic policy around 1953 and 1963 are identified. These are the strategic balance, the competitive situation, the capacity (of the American atomic productive apparatus), and the nuclear technological stage. The specific composition of these four factors at the two time-points can explain the changes of policy. (author)

  15. Artificial oxygen transport protein

    Science.gov (United States)

    Dutton, P. Leslie

    2014-09-30

    This invention provides heme-containing peptides capable of binding molecular oxygen at room temperature. These compounds may be useful in the absorption of molecular oxygen from molecular oxygen-containing atmospheres. Also included in the invention are methods for treating an oxygen transport deficiency in a mammal.

  16. Atomic geometry and STM simulations of a TiO.sub.2./sub.(110) surface upon formation of an oxygen vacancy and hydroxyl group

    Czech Academy of Sciences Publication Activity Database

    Mutombo, Pingo; Kiss, A.M.; Berkó, A.; Cháb, Vladimír

    2008-01-01

    Roč. 16, - (2008), 025007/1-025007/9 ISSN 0965-0393 R&D Projects: GA AV ČR IAA1010413 Grant - others:MŠMT(CZ) 9/2004 KONTAKT Institutional research plan: CEZ:AV0Z10100521 Source of funding: V - iné verejné zdroje Keywords : vacance * Oxygen * OH group * STM Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.388, year: 2008

  17. Atomic theories

    CERN Document Server

    Loring, FH

    2014-01-01

    Summarising the most novel facts and theories which were coming into prominence at the time, particularly those which had not yet been incorporated into standard textbooks, this important work was first published in 1921. The subjects treated cover a wide range of research that was being conducted into the atom, and include Quantum Theory, the Bohr Theory, the Sommerfield extension of Bohr's work, the Octet Theory and Isotopes, as well as Ionisation Potentials and Solar Phenomena. Because much of the material of Atomic Theories lies on the boundary between experimentally verified fact and spec

  18. Oxygen evolution reaction catalysis

    Science.gov (United States)

    Haber, Joel A.; Jin, Jian; Xiang, Chengxiang; Gregoire, John M.; Jones, Ryan J.; Guevarra, Dan W.; Shinde, Aniketa A.

    2016-09-06

    An Oxygen Evolution Reaction (OER) catalyst includes a metal oxide that includes oxygen, cerium, and one or more second metals. In some instances, the cerium is 10 to 80 molar % of the metals in the metal oxide and/or the catalyst includes two or more second metals. The OER catalyst can be included in or on an electrode. The electrode can be arranged in an oxygen evolution system such that the Oxygen Evolution Reaction occurs at the electrode.

  19. Atom dynamics in laser fields

    International Nuclear Information System (INIS)

    Jang, Su; Mi, No Gin

    2004-12-01

    This book introduces coherent dynamics of internal state, spread of atoms wave speed, semiclassical atoms density matrix such as dynamics equation in both still and moving atoms, excitation of atoms in movement by light, dipole radiating power, quantum statistical mechanics by atoms in movement, semiclassical atoms in movement, atoms in movement in the uniform magnetic field including effects of uniform magnetic field, atom cooling using laser such as Doppler cooling, atom traps using laser and mirrors, radiant heat which particles receive, and near field interactions among atoms in laser light.

  20. Code ATOM for calculation of atomic characteristics

    International Nuclear Information System (INIS)

    Vainshtein, L.A.

    1990-01-01

    In applying atomic physics to problems of plasma diagnostics, it is necessary to determine some atomic characteristics, including energies and transition probabilities, for very many atoms and ions. Development of general codes for calculation of many types of atomic characteristics has been based on general but comparatively simple approximate methods. The program ATOM represents an attempt at effective use of such a general code. This report gives a brief description of the methods used, and the possibilities of and limitations to the code are discussed. Characteristics of the following processes can be calculated by ATOM: radiative transitions between discrete levels, radiative ionization and recombination, collisional excitation and ionization by electron impact, collisional excitation and ionization by point heavy particle (Born approximation only), dielectronic recombination, and autoionization. ATOM explores Born (for z=1) or Coulomb-Born (for z>1) approximations. In both cases exchange and normalization can be included. (N.K.)

  1. Atomic phenomena in dense plasmas

    International Nuclear Information System (INIS)

    Weisheit, J.C.

    1981-03-01

    The following chapters are included: (1) the plasma environment, (2) perturbations of atomic structure, (3) perturbations of atomic collisions, (4) formation of spectral lines, and (5) dielectronic recombination

  2. Oxygen-enhanced combustion

    CERN Document Server

    Baukal, Charles E

    2013-01-01

    Combustion technology has traditionally been dominated by air/fuel combustion. However, two developments have increased the significance of oxygen-enhanced combustion-new technologies that produce oxygen less expensively and the increased importance of environmental regulations. Advantages of oxygen-enhanced combustion include less pollutant emissions as well as increased energy efficiency and productivity. Oxygen-Enhanced Combustion, Second Edition compiles information about using oxygen to enhance industrial heating and melting processes. It integrates fundamental principles, applications, a

  3. Self-Assembled Fe-N-Doped Carbon Nanotube Aerogels with Single-Atom Catalyst Feature as High-Efficiency Oxygen Reduction Electrocatalysts

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Chengzhou [School of Mechanical and Materials Engineering, Washington State University, Pullman WA 99164 USA; Fu, Shaofang [School of Mechanical and Materials Engineering, Washington State University, Pullman WA 99164 USA; Song, Junhua [School of Mechanical and Materials Engineering, Washington State University, Pullman WA 99164 USA; Shi, Qiurong [School of Mechanical and Materials Engineering, Washington State University, Pullman WA 99164 USA; Su, Dong [Center for Functional Nanomaterials, Brookhaven National Laboratory, Upton NY 11973 USA; Engelhard, Mark H. [Environmental Molecular Science Laboratory, Pacific Northwest National Laboratory, Richland WA 99354 USA; Li, Xiaolin [Energy and Environmental Directory, Pacific Northwest National Laboratory, Richland WA 99354 USA; Xiao, Dongdong [Environmental Molecular Science Laboratory, Pacific Northwest National Laboratory, Richland WA 99354 USA; Li, Dongsheng [Environmental Molecular Science Laboratory, Pacific Northwest National Laboratory, Richland WA 99354 USA; Estevez, Luis [Energy and Environmental Directory, Pacific Northwest National Laboratory, Richland WA 99354 USA; Du, Dan [School of Mechanical and Materials Engineering, Washington State University, Pullman WA 99164 USA; Lin, Yuehe [School of Mechanical and Materials Engineering, Washington State University, Pullman WA 99164 USA; Environmental Molecular Science Laboratory, Pacific Northwest National Laboratory, Richland WA 99354 USA

    2017-02-06

    Finely controlled synthesis of high active and robust non-precious metal catalysts with excellent electrocatalytic efficiency towards oxygen reduction reaction is extremely vital for successful implementation of fuel cells and metal batteries. Unprecedented oxygen reduction reaction electrocatalytic performances and the diversified synthetic procedure in term of favorable structure/morphology characteristics make transition metals-derived M–N–C (M=Fe, Co) structures the most promising nanocatalysts. Herein, using the nitrogen-containing small molecular and inorganic salt as precursors and ultrathin tellurium nanowires as templates, we successfully synthesized a series of well-defined M-N-doped hollow carbon nanowire aerogels through one step hydrothermal route and subsequent facile annealing treatment. Taking advantage of the porous nanostructures, one-dimensional building block as well as homogeneity of active sites, the resultant Fe-N-doped carbon hollow nanowire aerogels exhibited excellent ORR electrocatalytic performance even better than commercial Pt/C in alkaline solution, holding great potential in fuel cell applications.

  4. Formation mechanisms of oxygen atoms in the O(3PJ) state from the 157 nm photoirradiation of amorphous water ice at 90 K

    International Nuclear Information System (INIS)

    Hama, Tetsuya; Yabushita, Akihiro; Yokoyama, Masaaki; Kawasaki, Masahiro; Watanabe, Naoki

    2009-01-01

    Desorption of ground state O( 3 P J=2,1,0 ) atoms following the vacuum ultraviolet photolysis of water ice in the first absorption band was directly measured with resonance-enhanced multiphoton ionization (REMPI) method. Based on their translational energy distributions and evolution behavior, two different formation mechanisms are proposed: One is exothermic recombination reaction of OH radicals, OH+OH→H 2 O+O( 3 P J ) and the other is the photodissociation of OH radicals on the surface of amorphous solid water. The translational and internal energy distributions of OH radicals as well as the evolution behavior were also measured by REMPI to elucidate the roles of H 2 O 2 and OH in the O( 3 P J ) formation mechanisms.

  5. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J

    2000-01-01

    This fifth volume of the successful series Advances in Atomic Spectroscopy continues to discuss and investigate the area of atomic spectroscopy.It begins with a description of the use of various atomic spectroscopic methods and applications of speciation studies in atomic spectroscopy. The emphasis is on combining atomic spectroscopy with gas and liquid chromatography. In chapter two the authors describe new developments in tunable lasers and the impact they will have on atomic spectroscopy. The traditional methods of detection, such as photography and the photomultiplier, and how they are being replaced by new detectors is discussed in chapter three. The very active area of glow discharge atomic spectrometry is presented in chapter four where, after a brief introduction and historical review, the use of glow discharge lamps for atomic spectroscopy and mass spectrometry are discussed. Included in this discussion is geometry and radiofrequency power. The future of this source in atomic spectroscopy is also dis...

  6. Electrical properties of GaN-based metal–insulator–semiconductor structures with Al2O3 deposited by atomic layer deposition using water and ozone as the oxygen precursors

    International Nuclear Information System (INIS)

    Kubo, Toshiharu; Freedsman, Joseph J; Iwata, Yasuhiro; Egawa, Takashi

    2014-01-01

    Al 2 O 3  deposited by atomic layer deposition (ALD) was used as an insulator in metal–insulator–semiconductor (MIS) structures for GaN-based MIS-devices. As the oxygen precursors for the ALD process, water (H 2 O), ozone (O 3 ), and both H 2 O and O 3  were used. The chemical characteristics of the ALD-Al 2 O 3  surfaces were investigated by x-ray photoelectron spectroscopy. After fabrication of MIS-diodes and MIS-high-electron-mobility transistors (MIS-HEMTs) with the ALD-Al 2 O 3 , their electrical properties were evaluated by current–voltage (I–V) and capacitance–voltage (C–V) measurements. The threshold voltage of the C–V curves for MIS-diodes indicated that the fixed charge in the Al 2 O 3  layer is decreased when using both H 2 O and O 3  as the oxygen precursors. Furthermore, MIS-HEMTs with the H 2 O + O 3 -based Al 2 O 3  showed good dc I–V characteristics without post-deposition annealing of the ALD-Al 2 O 3 , and the drain leakage current in the off-state region was suppressed by seven orders of magnitude. (paper)

  7. Electrical properties of GaN-based metal-insulator-semiconductor structures with Al2O3 deposited by atomic layer deposition using water and ozone as the oxygen precursors

    Science.gov (United States)

    Kubo, Toshiharu; Freedsman, Joseph J.; Iwata, Yasuhiro; Egawa, Takashi

    2014-04-01

    Al2O3 deposited by atomic layer deposition (ALD) was used as an insulator in metal-insulator-semiconductor (MIS) structures for GaN-based MIS-devices. As the oxygen precursors for the ALD process, water (H2O), ozone (O3), and both H2O and O3 were used. The chemical characteristics of the ALD-Al2O3 surfaces were investigated by x-ray photoelectron spectroscopy. After fabrication of MIS-diodes and MIS-high-electron-mobility transistors (MIS-HEMTs) with the ALD-Al2O3, their electrical properties were evaluated by current-voltage (I-V) and capacitance-voltage (C-V) measurements. The threshold voltage of the C-V curves for MIS-diodes indicated that the fixed charge in the Al2O3 layer is decreased when using both H2O and O3 as the oxygen precursors. Furthermore, MIS-HEMTs with the H2O + O3-based Al2O3 showed good dc I-V characteristics without post-deposition annealing of the ALD-Al2O3, and the drain leakage current in the off-state region was suppressed by seven orders of magnitude.

  8. Oxygen Therapy

    Science.gov (United States)

    ... best for you. Oxygen is usually delivered through nasal prongs (an oxygen cannula) or a face mask. Oxygen equipment can attach to other medical equipment such as CPAP machines and ventilators. Oxygen therapy can help you ...

  9. In-Situ Resource Utilization: Oxygen Production

    Data.gov (United States)

    National Aeronautics and Space Administration — The leading option for extracting oxygen from the Mars atmospheric carbon dioxide is to use a solid oxide electrolyzer, which removes one oxygen atom from the CO2...

  10. Promising monolayer membranes for CO{sub 2}/N{sub 2}/CH{sub 4} separation: Graphdiynes modified respectively with hydrogen, fluorine, and oxygen atoms

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Lianming, E-mail: lmzhao@upc.edu.cn; Sang, Pengpeng; Guo, Sheng; Liu, Xiuping; Li, Jing; Zhu, Houyu; Guo, Wenyue, E-mail: wyguo@upc.edu.cn

    2017-05-31

    Graphical abstract: Graphdiyne monolayer membrane modified by fluorine or oxygen can effectively separate CO{sub 2}/N{sub 2}/CH{sub 4} mixtures. - Highlights: • Three graphdiyne-like membranes were designed and their stabilities were confirmed. • The DFT and MD results claimed a tunable gas separation property of the membranes. • Graphdiyne modified with F or O can effectively separate CO{sub 2}/N{sub 2}/CH{sub 4} mixtures. - Abstract: Three graphdiyne-like monolayers were designed by substituting one-third diacetylenic linkages with heteroatoms hydrogen, fluorine, and oxygen (GDY-X, X = H, F, and O), respectively. The CO{sub 2}/N{sub 2}/CH{sub 4} separation performance of the designed graphdiyne-like monolayers was investigated by using both first-principle density functional theory (DFT) and molecular dynamic (MD) simulations. The stabilities of GDY-X monolayers were confirmed by the calculated cohesive energies and phonon dispersion spectra. Both the DFT and MD calculations demonstrated that although the GDY-H membrane has poor selectivity for CO{sub 2}/N{sub 2}/CH{sub 4} gases, the GDY-F and GDY-O membranes can excellently separate CO{sub 2} and N{sub 2} from CH{sub 4} in a wide temperature range. Moreover, the CO{sub 2}/N{sub 2} mixture can be effectively separated by GDY-O at temperatures lower than 300 K. Based on the kinetic theory, extremely high permeances were found for CO{sub 2} and N{sub 2} passing through the GDY-X membranes (10{sup −4}–10{sup −2} mol/m{sup 2} s Pa at 298 K). In addition, the influence of relative concentration on selectivity was also investigated for gases in the binary mixtures. This work provides an effective way to modify graphdiyne for the separation of large molecular gases, which is quite crucial in the gas separation industry.

  11. The effect of surface structure on Ag atom adsorption over CuO(111) surfaces: A first principles study

    Science.gov (United States)

    Hu, Riming; Zhou, Xiaolong; Yu, Jie

    2017-12-01

    The interactions of Ag atom with different types of CuO(111) surface, including the perfect, oxygen-vacancy and precovered oxygen surfaces, have been systematically investigated using density functional theory (DFT) calculations to examine the effect of surface structures on Ag atom adsorption. The calculated results indicate that the Cu1-Cu1 bridge site and the oxygen-vacancy site are the active centres for atomic Ag adsorption on the perfect surface and the oxygen-vacancy surface respectively, while atomic Ag preferentially adsorbs at the Op site on the precovered oxygen surface. The activity of the CuO(111) surface for atomic Ag adsorption can be improved both on the perfect and oxygen-vacancy surfaces, while the activity of the CuO(111) surface for atomic Ag adsorption will be suppressed on precovered oxygen surfaces. Furthermore, the adsorption of NO on different CuO(111) surfaces with Ag adsorption was investigated, and the calculation results show that the adsorption of NO on an Ag-loaded CuO(111) surface is greater than that on the pure CuO(111) surface.

  12. Electron scattering by molecular oxygen

    International Nuclear Information System (INIS)

    Duddy, P.E.

    1999-03-01

    Collisions of electrons with molecules is one of the fundamental processes which occur both in atomic and molecular physics and also in chemistry. These collisions are vital in determining the energy balance and transport properties of electrons in gases and plasmas at low temperatures. There are many important applications for the basic understanding of these collision processes. For example, the study of planetary atmospheres and the interstellar medium involves electron collisions with both molecules and molecular ions. In particular, two of the major cooling mechanisms of electrons in the Earth's ionosphere are (i) the fine structure changing transitions of oxygen atoms by electron impact and (ii) the resonant electron-impact vibrational excitation of N 2 . Other applications include magnetohydrodynamic power generation and laser physics. A molecule, by definition, will contain more than one nucleus and consequently the effect of nuclear motion in the molecule leads to many extra processes in electron scattering by molecules which cannot occur in electron-atom scattering. As for atoms, both elastic and inelastic scattering occur, but in the case of inelastic electron scattering by molecules, the target molecule is excited to a different state by the process. The excitation may be one, or some combination, of rotational, vibrational and electronic transitions. Other reactions which may occur include dissociation of the molecule into its constituent atoms or ionisation. Another difficulty arises when considering the interactions between the electron and the molecule, This interaction, which considerably complicates the calculation, is non-spherical and various methods have been developed over the years to represent this interaction. This thesis considers electron scattering by molecular oxygen in the low energy range i.e. 0-15eV. These collisions are of considerable interest in atmospheric physics and chemistry where the electron impact excitation of O 2 has

  13. Relativistic calculation of nuclear magnetic shielding tensor using the regular approximation to the normalized elimination of the small component. III. Introduction of gauge-including atomic orbitals and a finite-size nuclear model.

    Science.gov (United States)

    Hamaya, S; Maeda, H; Funaki, M; Fukui, H

    2008-12-14

    The relativistic calculation of nuclear magnetic shielding tensors in hydrogen halides is performed using the second-order regular approximation to the normalized elimination of the small component (SORA-NESC) method with the inclusion of the perturbation terms from the metric operator. This computational scheme is denoted as SORA-Met. The SORA-Met calculation yields anisotropies, Delta sigma = sigma(parallel) - sigma(perpendicular), for the halogen nuclei in hydrogen halides that are too small. In the NESC theory, the small component of the spinor is combined to the large component via the operator sigma x piU/2c, in which pi = p + A, U is a nonunitary transformation operator, and c approximately = 137.036 a.u. is the velocity of light. The operator U depends on the vector potential A (i.e., the magnetic perturbations in the system) with the leading order c(-2) and the magnetic perturbation terms of U contribute to the Hamiltonian and metric operators of the system in the leading order c(-4). It is shown that the small Delta sigma for halogen nuclei found in our previous studies is related to the neglect of the U(0,1) perturbation operator of U, which is independent of the external magnetic field and of the first order with respect to the nuclear magnetic dipole moment. Introduction of gauge-including atomic orbitals and a finite-size nuclear model is also discussed.

  14. Determination, through titration with NO, of the concentration of oxygen atoms in the flowing afterglow of Ar-O2 and N2-O2 plasmas used for sterilization purposes

    Science.gov (United States)

    Ricard, A.; Moisan, M.; Moreau, S.

    2001-04-01

    Les méthodes existantes de titrage de N et O d'une post-décharge au moyen de l'intensité d'émission de la molécule NO excitée ne permettant pas d'aller au-delà de x = 5% dans un mélange xO2-(100%-x)N2, nous présentons une démarche valable pour x≤20%. Cette technique est fondée sur la mesure de l'intensité d'émission de NO2(A), en fonction du débit de NO introduit, en relation avec une dérivation analytique des équations des concentrations [N] et [O]. La concentration d'oxygène atomique obtenue par cette méthode est validée de façon indépendante à partir de la mesure du rapport des intensités d'émission de NO(B) et de N2(B, 11) (celle-ci détectable pour x≤8%). Enfin, la méthode proposée est mise en oeuvre pour apprécier l'influence de la valeur de la concentration d'oxygène atomique sur le temps de stérilisation dans une post-décharge en flux à partir d'un plasma de N2-O2. \\engabstract Existing titration methods of N and O in an afterglow based on the emission intensity of the excited NO molecule cannot be used at x values exceeding 5% in the xO2-(100%-x)N2 mixture. Our technique extends the x range to 20%. It utilizes the emission intensity measurement of NO2(A), as a function of the introduced NO flow, in relation with analytically derived equations for the O and N concentrations. The atomic oxygen concentration obtained in this way is validated independently through measurements of the emission intensity ratio of NO(B) and N2(B, 11) (detectable for x≤8%). Finally, the proposed method is used to assess the influence of the oxygen atom concentration on the sterilization time in the flowing afterglow of an N2-O2 plasma.

  15. Proterozoic atmospheric oxygen

    DEFF Research Database (Denmark)

    Canfield, Donald Eugene

    2014-01-01

    This article is concerned with the evolution of atmospheric oxygen concentrations through the Proterozoic Eon. In particular, this article will seek to place the history of atmospheric oxygenation through the Proterozoic Eon in the context of the evolving physical environment including the history...... of continental growth and volcanic outgassing, as well as biogeochemical processing of elements within the oceans. The author will seek to explore constraints on the history of oxygenation and understand which processes have regulated oxygen through this eon....

  16. Atom optics

    International Nuclear Information System (INIS)

    Balykin, V. I.; Jhe, W.

    1999-01-01

    Atom optics, in analogy to neutron and electron optics, deals with the realization of as a traditional elements, such as lenes, mirrors, beam splitters and atom interferometers, as well as a new 'dissipative' elements such as a slower and a cooler, which have no analogy in an another types of optics. Atom optics made the development of atom interferometer with high sensitivity for measurement of acceleration and rotational possible. The practical interest in atom optics lies in the opportunities to create atom microprobe with atom-size resolution and minimum damage of investigated objects. (Cho, G. S.)

  17. Thermodynamic and kinetic study of cleavage of the N-O bond of N-oxides by a vanadium(III) complex: enhanced oxygen atom transfer reaction rates for adducts of nitrous oxide and mesityl nitrile oxide.

    Science.gov (United States)

    Palluccio, Taryn D; Rybak-Akimova, Elena V; Majumdar, Subhojit; Cai, Xiaochen; Chui, Megan; Temprado, Manuel; Silvia, Jared S; Cozzolino, Anthony F; Tofan, Daniel; Velian, Alexandra; Cummins, Christopher C; Captain, Burjor; Hoff, Carl D

    2013-07-31

    Thermodynamic, kinetic, and computational studies are reported for oxygen atom transfer (OAT) to the complex V(N[t-Bu]Ar)3 (Ar = 3,5-C6H3Me2, 1) from compounds containing N-O bonds with a range of BDEs spanning nearly 100 kcal mol(-1): PhNO (108) > SIPr/MesCNO (75) > PyO (63) > IPr/N2O (62) > MesCNO (53) > N2O (40) > dbabhNO (10) (Mes = mesityl; SIPr = 1,3-bis(diisopropyl)phenylimidazolin-2-ylidene; Py = pyridine; IPr = 1,3-bis(diisopropyl)phenylimidazol-2-ylidene; dbabh = 2,3:5,6-dibenzo-7-azabicyclo[2.2.1]hepta-2,5-diene). Stopped flow kinetic studies of the OAT reactions show a range of kinetic behavior influenced by both the mode and strength of coordination of the O donor and its ease of atom transfer. Four categories of kinetic behavior are observed depending upon the magnitudes of the rate constants involved: (I) dinuclear OAT following an overall third order rate law (N2O); (II) formation of stable oxidant-bound complexes followed by OAT in a separate step (PyO and PhNO); (III) transient formation and decay of metastable oxidant-bound intermediates on the same time scale as OAT (SIPr/MesCNO and IPr/N2O); (IV) steady-state kinetics in which no detectable intermediates are observed (dbabhNO and MesCNO). Thermochemical studies of OAT to 1 show that the V-O bond in O≡V(N[t-Bu]Ar)3 is strong (BDE = 154 ± 3 kcal mol(-1)) compared with all the N-O bonds cleaved. In contrast, measurement of the N-O bond in dbabhNO show it to be especially weak (BDE = 10 ± 3 kcal mol(-1)) and that dissociation of dbabhNO to anthracene, N2, and a (3)O atom is thermodynamically favorable at room temperature. Comparison of the OAT of adducts of N2O and MesCNO to the bulky complex 1 show a faster rate than in the case of free N2O or MesCNO despite increased steric hindrance of the adducts.

  18. Atom-replaced pins in a Y-based superconductor—single-crystalline perovskite structure including both PrBa2Cu3O7‑x and YBa2Cu3O7‑y

    Science.gov (United States)

    Hayashi, Mariko; Araki, Takeshi; Ishii, Hirotaka; Nishijima, Gen; Matsumoto, Akiyoshi

    2018-05-01

    Metal organic deposition using trifluoroacetates (TFA-MOD) provides many uniform superconductors on long metal tapes. The large numbers of long wires have been applied for power grids or superconducting fault current limiters. The related applications worked for a long time without fatal trouble. The quasi-liquid produced during the firing process assisted the perfectly uniform structure in TFA-MOD. On the other hand, when it was desired to introduce artificial pinning centers, the quasi-liquid also enlarged the diameter of the artificial pinning centers to several tens of nanometers. In other words, due to the nature of TFA-MOD, there is very little chance of using TFA-MOD to prepare several nm-sized artificial pinning centers. By proposing atom-replaced pins (ARPs), we aim to overcome the impasse. ARPs are realized by replacing yttrium (Y) with praseodymium (Pr) whose valence number changes from 3+ to approximately 4+. Analytical results suggested that Pr makes pinning centers on a PrBa2Cu3O7‑x (PrBCO) unit cell, and the weak-linked superconductivity derived from PrBCO extends to the adjacent unit cells in the a/b-plane. J c decrease by Pr is five times as large as the volume fraction of Pr in the Y-site of the perovskite structure. On the other hand, T c does not show large degradation in YBCO including 10% PrBCO. These results suggest that PrBCO unit cells are fully dispersed in YBa2Cu3O7‑y matrix. With regard to J c in the magnetic field, (Y0.98, Pr0.02)BCO has been slightly improved compared with pure YBCO only in the region of high temperature and low magnetic field of less than 1 T.

  19. Atom-by-atom assembly

    International Nuclear Information System (INIS)

    Hla, Saw Wai

    2014-01-01

    Atomic manipulation using a scanning tunneling microscope (STM) tip enables the construction of quantum structures on an atom-by-atom basis, as well as the investigation of the electronic and dynamical properties of individual atoms on a one-atom-at-a-time basis. An STM is not only an instrument that is used to ‘see’ individual atoms by means of imaging, but is also a tool that is used to ‘touch’ and ‘take’ the atoms, or to ‘hear’ their movements. Therefore, the STM can be considered as the ‘eyes’, ‘hands’ and ‘ears’ of the scientists, connecting our macroscopic world to the exciting atomic world. In this article, various STM atom manipulation schemes and their example applications are described. The future directions of atomic level assembly on surfaces using scanning probe tips are also discussed. (review article)

  20. Interactions of atomic hydrogen with amorphous SiO2

    Science.gov (United States)

    Yue, Yunliang; Wang, Jianwei; Zhang, Yuqi; Song, Yu; Zuo, Xu

    2018-03-01

    Dozens of models are investigated by the first-principles calculations to simulate the interactions of an atomic hydrogen with a defect-free random network of amorphous SiO2 (a-SiO2) and oxygen vacancies. A wide variety of stable configurations are discovered due to the disorder of a-SiO2, and their structures, charges, magnetic moments, spin densities, and density of states are calculated. The atomic hydrogen interacts with the defect-free a-SiO2 in positively or negatively charged state, and produces the structures absent in crystalline SiO2. It passivates the neutral oxygen vacancies and generates two neutral hydrogenated E‧ centers with different Si dangling bond projections. Electron spin resonance parameters, including Fermi contacts, and g-tensors, are calculated for these centers. The atomic hydrogen interacts with the positive oxygen vacancies in dimer configuration, and generate four different positive hydrogenated defects, two of which are puckered like the Eγ‧ centers. This research helps to understand the interactions between an atomic hydrogen, and defect-free a-SiO2 and oxygen vacancies, which may generate the hydrogen-complexed defects that play a key role in the degeneration of silicon/silica-based microelectronic devices.

  1. Cold Atom Interferometry

    International Nuclear Information System (INIS)

    Zhan Mingsheng; Li Ke; Wang Ping; Kong Lingbo; Wang Xiaorui; Li Runbing; Tu Xianhua; He Lingxiang; Wang Jin; Lu Baolong

    2007-01-01

    In this article the recent experimental works on cold atoms carried out at Wuhan Institute of Physics and Mathematics (WIPM) are reported. These include the experimental realization of Bose-Einstein condensation (BEC), different type of cold atom interferometers, and bichromatic electromagnetically-induced transparency (EIT). We have realized Bose-Einstein condensates of 87 Rb dilute atomic gases. The apparatus consists of two horizontally mounted magneto-optic-traps (MOTs) and a QUIC magnetic trap. Nearly 3x10 8 atoms were trapped in the second MOT, and up to 1.2x10 8 atoms were adiabatically transferred to the QUIC trap. A pure condensate with about 1.1x10 5 atoms at about 30 nK was achieved. We also demonstrated two type of cold atom interferometers, the Sagnac and Ramsey interference fringes were recorded with contrast of up to 37%

  2. Effects of oxygen concentration on atmospheric pressure dielectric barrier discharge in Argon-Oxygen Mixture

    Science.gov (United States)

    Li, Xuechun; Li, Dian; Wang, Younian

    2016-09-01

    A dielectric barrier discharge (DBD) can generate a low-temperature plasma easily at atmospheric pressure and has been investigated for applications in trials in cancer therapy, sterilization, air pollution control, etc. It has been confirmed that reactive oxygen species (ROS) play a key role in the processes. In this work, we use a fluid model to simulate the plasma characteristics for DBD in argon-oxygen mixture. The effects of oxygen concentration on the plasma characteristics have been discussed. The evolution mechanism of ROS has been systematically analyzed. It was found that the ground state oxygen atoms and oxygen molecular ions are the dominated oxygen species under the considered oxygen concentrations. With the oxygen concentration increasing, the densities of electrons, argon atomic ions, resonance state argon atoms, metastable state argon atoms and excited state argon atoms all show a trend of decline. The oxygen molecular ions density is high and little influenced by the oxygen concentration. Ground state oxygen atoms density tends to increase before falling. The ozone density increases significantly. Increasing the oxygen concentration, the discharge mode begins to change gradually from the glow discharge mode to Townsend discharge mode. Project supported by the National Natural Science Foundation of China (Grant No. 11175034).

  3. Ninth international symposium on hot atom chemistry. Abstracts

    International Nuclear Information System (INIS)

    1977-01-01

    Abstracts of the papers presented at the Symposium are compiled. The topics considered were chemical dynamics of high energy reactions, hot atom chemistry in organic compounds of tritium, nitrogen, oxygen, and halogens, theory and chemical dynamics of hot atom reactions as determined by beam studies, solid state reactions of recoil atoms and implanted ions, hot atom chemistry in energy-related research, hot atom chemistry in inorganic compounds of oxygen and tritium, hot positronium chemistry, applied hot atom chemistry in labelling, chemical effects of radioactive decay, decay-induced reactions and excitation labelling, physical methods in hot atom chemistry, and hot atom reactions in radiation and stratospheric chemistry

  4. Excited-state hydrogen atom abstraction initiates the photochemistry of β-2′-deoxycytidine† †Electronic supplementary information (ESI) available: Including relevant preliminary results as well as illustrations and geometrical parameters of selected structures. See DOI: 10.1039/c4sc03761h Click here for additional data file.

    Science.gov (United States)

    Campos, Jesús; Šponer, Judit E.; Šponer, Jiří

    2015-01-01

    Understanding the effects of ultraviolet radiation on nucleotides in solution is an important step towards a comprehensive description of the photochemistry of nucleic acids and their constituents. Apart from having implications for mutagenesis and DNA photoprotection mechanisms, the photochemistry of cytidines is a central element in UV-assisted syntheses of pyrimidine nucleotides under prebiotically plausible conditions. In this contribution, we present UV-irradiation experiments of β-2′-deoxycytidine in aqueous solution involving H–D exchange followed by NMR spectroscopic analysis of the photoproducts. We further elucidate the outcome of these experiments by means of high-level quantum chemical calculations. In particular, we show that prolonged UV-irradiation of cytidine may lead to H–C1′ hydrogen atom abstraction by the carbonyl oxygen atom of cytosine. This process may enable photoanomerisation and nucleobase loss, two previously unexplained photoreactions observed in pyrimidine nucleotides. PMID:27182431

  5. Enhancing photocatalytic CO{sub 2} reduction by coating an ultrathin Al{sub 2}O{sub 3} layer on oxygen deficient TiO{sub 2} nanorods through atomic layer deposition

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Huilei; Chen, Jiatang; Rao, Guiying; Deng, Wei; Li, Ying, E-mail: yingli@tamu.edu

    2017-05-15

    Highlights: • Oxygen deficient TiO{sub 2} anatase nanorods are coated with an ultrathin Al{sub 2}O{sub 3} layer by ALD. • Exposed {100} facets and oxygen vacancies promote CO{sub 2} photoreduction to CO and CH{sub 4}. • Al{sub 2}O{sub 3} overlayer passivates surface states and mitigates surface charge recombination. • Two cycles of ALD coating lead to maximum photocatalytic CO{sub 2} reduction. • More than five cycles of ALD coating prohibits electron transfer to the surface. - Abstract: In this work, anatase nanorods (ANR) of TiO{sub 2} with active facet {100} as the major facet were successfully synthesized, and reducing the ANR by NaBH{sub 4} led to the formation of gray colored oxygen deficient TiO{sub 2-x} (ReANR). On the surface of ReANR, a thin layer of Al{sub 2}O{sub 3} was deposited using atomic layer deposition (ALD), and the thickness of Al{sub 2}O{sub 3} varied by the number of ALD cycles (1, 2, 5, 10, 50, 100, or 200). The growth rate of Al{sub 2}O{sub 3} was determined to be 0.25 Å per cycle based on high-resolution TEM analysis, and the XRD result showed the amorphous structure of Al{sub 2}O{sub 3}. All the synthesized photocatalysts (ANR, ReANR, and Al{sub 2}O{sub 3} coated ReANR) were tested for CO{sub 2} photocatalytic reduction in the presence of water vapor, with CO detected as the major reduction product and CH{sub 4} as the minor product. Compared with ANR, ReANR had more than 50% higher CO production and more than ten times higher CH{sub 4} production due to the oxygen vacancies that possibly enhanced CO{sub 2} adsorption and activation. By applying less than 5 cycles of ALD, the Al{sub 2}O{sub 3} coated ReANR had enhanced overall production of CO and CH{sub 4} than uncoated ReANR, with 2 cycles being the optimum, about 40% higher overall production than ReANR. Whereas, both CO and CH{sub 4} production decreased with increasing number of ALD cycles when more than 5 cycles were applied. Photoluminescence (PL) analysis showed an

  6. Atomic Oxygen Effects on POSS Polyimides

    Science.gov (United States)

    2011-07-25

    photoelectron spectroscopy (XPS). Additional samples of SC-POSS polyimides were prepared by spin-coating quartz crystal microbalance ( QCM ) discs with...films of different POSS loading. These QCM samples were placed on MISSE-6. N O O O O N n m Si Si O O Si Si Si Si O O OSi O Si O O O...onto QCM discs. Some scattering experiments were also carried out, where the hyperthermal AO beam was directed at a surface, and the reaction

  7. Model for the high-temperature oxygen-ordering thermodynamics in YBa2Cu3O6+x - inclusion of electron spin and charge degrees of freedom

    DEFF Research Database (Denmark)

    Schleger, P.; Hardy, W.N.; Casalta, H.

    1994-01-01

    A lattice-gas model for the high temperature oxygen-ordering thermodynamics in YBa2Cu3O6+x is presented, which assumes constant effective pair interactions between oxygen atoms and includes in a simple fashion the effect of the electron spin and charge degrees of freedom. This is done using...

  8. Atomic polarizabilities

    International Nuclear Information System (INIS)

    Safronova, M. S.; Mitroy, J.; Clark, Charles W.; Kozlov, M. G.

    2015-01-01

    The atomic dipole polarizability governs the first-order response of an atom to an applied electric field. Atomic polarization phenomena impinge upon a number of areas and processes in physics and have been the subject of considerable interest and heightened importance in recent years. In this paper, we will summarize some of the recent applications of atomic polarizability studies. A summary of results for polarizabilities of noble gases, monovalent, and divalent atoms is given. The development of the CI+all-order method that combines configuration interaction and linearized coupled-cluster approaches is discussed

  9. Atomic polarizabilities

    Energy Technology Data Exchange (ETDEWEB)

    Safronova, M. S. [Department of Physics and Astronomy, University of Delaware, Newark, DE 19716 (United States); Mitroy, J. [School of Engineering, Charles Darwin University, Darwin NT 0909 (Australia); Clark, Charles W. [Joint Quantum Institute, National Institute of Standards and Technology and the University of Maryland, Gaithersburg, Maryland 20899-8410 (United States); Kozlov, M. G. [Petersburg Nuclear Physics Institute, Gatchina 188300 (Russian Federation)

    2015-01-22

    The atomic dipole polarizability governs the first-order response of an atom to an applied electric field. Atomic polarization phenomena impinge upon a number of areas and processes in physics and have been the subject of considerable interest and heightened importance in recent years. In this paper, we will summarize some of the recent applications of atomic polarizability studies. A summary of results for polarizabilities of noble gases, monovalent, and divalent atoms is given. The development of the CI+all-order method that combines configuration interaction and linearized coupled-cluster approaches is discussed.

  10. Quaternary ammonium room-temperature ionic liquid including an oxygen atom in side chain/lithium salt binary electrolytes: ionic conductivity and 1H, 7Li, and 19F NMR studies on diffusion coefficients and local motions.

    Science.gov (United States)

    Hayamizu, Kikuko; Tsuzuki, Seiji; Seki, Shiro; Ohno, Yasutaka; Miyashiro, Hajime; Kobayashi, Yo

    2008-01-31

    A room-temperature ionic liquid (RTIL) of a quaternary ammonium cation having an ether chain, N,N-diethyl-N-methyl-N-(2-methoxyethyl)ammonium bis(trifluoromethylsulfonyl)amide (DEME-TFSA), is a candidate for use as an electrolyte of lithium secondary batteries. In this study, the electrochemical ionic conductivity, sigma, of the neat DEME-TFSA and DEME-TFSA-Li doped with five different concentrations of lithium salt (LiTFSA) was measured and correlated with NMR measurements of the diffusion coefficients D and the spin-lattice relaxation times T1 of the individual components DEME (1H), TFSA (19F), and lithium ion (7Li). The ion conduction of charged ions can be activated with less thermal energy than ion diffusion which contains a contribution from paired ions in DEME-TFSA. In the doped DEME-TFSA-Li samples, the sigma and D values decreased with increasing salt concentration, and within the same sample generally DLisalt concentration at low temperatures. Since plots of the temperature dependence of T1 of the 1H and 7Li resonances showed T1 minima, the correlation times tauc(H) and tauc(Li) were calculated for reorientational motions of DEME and the lithium jump, respectively. At the same temperature, tauc(Li) is longer than tauc(H), suggesting that the molecular motion of DEME occurs more rapidly than the lithium jump. Combining the DLi and tauc(Li), averaged distances for the lithium jump were estimated.

  11. Aperture-time of oxygen-precursor for minimum silicon incorporation into the interface-layer in atomic layer deposition-grown HfO{sub 2}/Si nanofilms

    Energy Technology Data Exchange (ETDEWEB)

    Mani-Gonzalez, Pierre Giovanni [CINVESTAV-Unidad Querétaro, Querétaro 76230, Querétaro, Mexico and Departamento de Física y Matemáticas, Instituto de Ingeniería y Tecnología, Universidad Autónoma de Ciudad Juárez, Ave. Del Charro 450, Cd. Juárez C.P. 32310, Chihuahua (Mexico); Vazquez-Lepe, Milton Oswaldo [CINVESTAV-Unidad Querétaro, Querétaro 76230, Querétaro, Mexico and Departamento de Ingeniería de Proyectos, Universidad de Guadalajara, Guadalajara 45100, Jalisco (Mexico); Herrera-Gomez, Alberto, E-mail: aherrera@qro.cinvestav.mx [CINVESTAV-Unidad Querétaro, Querétaro 76230, Querétaro (Mexico)

    2015-01-15

    Hafnium oxide nanofilms were grown with atomic layer deposition on H-terminated Si (001) wafers employing tetrakis dimethyl amino hafnium (TDMA-Hf) and water as precursors. While the number of cycles (30) and the aperture-time for TDMA-Hf (0.08 s) were kept constant, the aperture-time (τ{sub H{sub 2O}}) for the oxidant-agent (H{sub 2}O) was varied from 0 to 0.10 s. The structure of the films was characterized with robust analysis employing angle-resolved x-ray photoelectron spectroscopy. In addition to a ∼1 nm hafnium oxide layer, a hafnium silicate interface layer, also ∼1 nm thick, is formed for τ{sub H{sub 2O}} > 0. The incorporation degree of silicon into the interface layer (i.e., the value of 1 − x in Hf{sub x}Si{sub 1−x}O{sub y}) shows a minimum of 0.32 for τ{sub H{sub 2O}} = 0.04 s. By employing the simultaneous method during peak-fitting analysis, it was possible to clearly resolve the contribution from the silicate and from oxide to the O 1s spectra, allowing for the assessment of the oxygen composition of each layer as a function of oxidant aperture time. The uncertainties of the peak areas and on the thickness and composition of the layers were calculated employing a rigorous approach.

  12. Ethers as Oxygen Donor and Carbon Source in Non-hydrolytic Sol-Gel: One-Pot, Atom-Economic Synthesis of Mesoporous TiO2-Carbon Nanocomposites.

    Science.gov (United States)

    Escamilla-Pérez, Angel Manuel; Louvain, Nicolas; Boury, Bruno; Brun, Nicolas; Mutin, P Hubert

    2018-02-06

    Mesoporous TiO 2 -carbon nanocomposites were synthesized using an original non-hydrolytic sol-gel (NHSG) route, based on the reaction of simple ethers (diisopropyl ether or tetrahydrofuran) with titanium tetrachloride. In this atom-economic, solvent-free process, the ether acts not only as an oxygen donor but also as the sole carbon source. Increasing the reaction temperature to 180 °C leads to the decomposition of the alkyl chloride by-product and to the formation of hydrocarbon polymers, which are converted to carbon by pyrolysis under argon. The carbon-TiO 2 nanocomposites and their TiO 2 counterparts (obtained by calcination) were characterized by nitrogen physisorption, XRD, solid state 13 C NMR and Raman spectroscopies, SEM, and TEM. The nanocomposites are mesoporous with surface areas of up to 75 m 2  g -1 and pore sizes around 10 nm. They are composed of aggregated anatase nanocrystals coated by an amorphous carbon film. Playing on the nature of the ether and on the reaction temperature allows control over the carbon content in the nanocomposites. The nature of the ether also influences the size of the TiO 2 crystallites and the morphology of the nanocomposite. To further characterize the carbon coating, the behavior of the carbon-TiO 2 nanocomposites and bare TiO 2 samples toward lithium insertion-deinsertion was investigated in half-cells. This simple NHSG approach should provide a general method for the synthesis of a wide range of carbon-metal oxide nanocomposites. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Ultracold atoms on atom chips

    DEFF Research Database (Denmark)

    Krüger, Peter; Hofferberth, S.; Haller, E.

    2005-01-01

    Miniaturized potentials near the surface of atom chips can be used as flexible and versatile tools for the manipulation of ultracold atoms on a microscale. The full scope of possibilities is only accessible if atom-surface distances can be reduced to microns. We discuss experiments in this regime...

  14. Atomic and molecular sciences

    International Nuclear Information System (INIS)

    Lane, N.F.

    1989-01-01

    The theoretical atomic and molecular physics program at Rice University addresses basic questions about the collision dynamics of electrons, atoms, ions and molecules, emphasizing processes related to possible new energy technologies and other applications. The program focuses on inelastic collision processes that are important in understanding energy and ionization balance in disturbed gases and plasmas. Emphasis is placed on systems and processes where some experimental information is available or where theoretical results may be expected to stimulate new measurements. Examples of current projects include: excitation and charge-transfer processes; orientation and alignment of excited states following collisions; Rydberg atom collisions with atoms and molecules; Penning ionization and ion-pair formation in atom-atom collisions; electron-impact ionization in dense, high-temperature plasmas; electron-molecule collisions; and related topics

  15. Modern atomic physics

    CERN Document Server

    Natarajan, Vasant

    2015-01-01

    Much of our understanding of physics in the last 30-plus years has come from research on atoms, photons, and their interactions. Collecting information previously scattered throughout the literature, Modern Atomic Physics provides students with one unified guide to contemporary developments in the field. After reviewing metrology and preliminary material, the text explains core areas of atomic physics. Important topics discussed include the spontaneous emission of radiation, stimulated transitions and the properties of gas, the physics and applications of resonance fluorescence, coherence, cooling and trapping of charged and neutral particles, and atomic beam magnetic resonance experiments. Covering standards, a different way of looking at a photon, stimulated radiation, and frequency combs, the appendices avoid jargon and use historical notes and personal anecdotes to make the topics accessible to non-atomic physics students. Written by a leader in atomic and optical physics, this text gives a state-of-the...

  16. Microscopic study of gum-metal alloys: A role of trace oxygen for dislocation-free deformation

    International Nuclear Information System (INIS)

    Nagasako, Naoyuki; Asahi, Ryoji; Isheim, Dieter; Seidman, David N.; Kuramoto, Shigeru; Furuta, Tadahiko

    2016-01-01

    A class of Ti–Nb–Ta–Zr–O alloys called gum metal are known to display high strength, low Young's modulus and high elastic deformability up to 2.5%, simultaneously, and considered to deform by a dislocation-free deformation mechanism. A trace of oxygen (∼1%) in gum metal is indispensable to realize such significant properties; however, the detailed mechanism and the role of the oxygen has not been understood. To investigate an effect of trace oxygen included in gum metal, first-principles calculations for gum-metal approximants including zirconium and oxygen are performed. Calculated results clearly indicate that oxygen site with less neighboring Nb atom is energetically favorable, and that Zr–O bonding has an important role to stabilize the bcc structure of gum metal. The three-dimensional atom-probe tomography (3-D APT) measurements for gum metal were also performed to identify compositional inhomogeneity attributed to the trace elements. From the 3-D APT measurements, Zr ions bonding with oxygen ions are observed, which indicates existence of Zr–O nano-clusters in gum metal. Consequently, it is found that (a) coexistence of Zr atom and oxygen atom improves elastical stability of gum metal, (b) inhomogeneous distribution of the compositions induced by the trace elements causes anisotropical change of shear moduli, and (c) Zr–O nano-clusters existing in gum metal are expected to be obstacles to suppress movemen of dislocations.

  17. Integrated turbomachine oxygen plant

    Science.gov (United States)

    Anand, Ashok Kumar; DePuy, Richard Anthony; Muthaiah, Veerappan

    2014-06-17

    An integrated turbomachine oxygen plant includes a turbomachine and an air separation unit. One or more compressor pathways flow compressed air from a compressor through one or more of a combustor and a turbine expander to cool the combustor and/or the turbine expander. An air separation unit is operably connected to the one or more compressor pathways and is configured to separate the compressed air into oxygen and oxygen-depleted air. A method of air separation in an integrated turbomachine oxygen plant includes compressing a flow of air in a compressor of a turbomachine. The compressed flow of air is flowed through one or more of a combustor and a turbine expander of the turbomachine to cool the combustor and/or the turbine expander. The compressed flow of air is directed to an air separation unit and is separated into oxygen and oxygen-depleted air.

  18. Oxygen Therapy

    Science.gov (United States)

    ... oxygen at very high altitudes (like in the mountains or in an airplane) even if you do ... an arterial blood gas (ABG) measurement. The ABG measures your oxygen level directly from your blood and ...

  19. Initial results from the Herschel Oxygen Project

    Science.gov (United States)

    Goldsmith, Paul; Encrenaz, Pierre; Liseau, R.; Bell, T. A.; Bergin, T.; Black, J.; Benz, A.; Caselli, P.; Caux, E.; Falgarone, E.; Gerin, M.; Goicoechea, J. R.; Hjalmarson, A.; Hollenbach, D.; Kaufman, M.; Larsson, B.; Le Bourlot, J.; Le Petit, F.; Li, D.; Lis, D.; Melnick, G.; Neufeld, D.; Pagani, L.; Roueff, E.; Sandqvist, A.; Snell, R.; Vastel, C.; van Dishoek, E.; Viti, S.; van der Tak, F.

    Initial Results from the Herschel Oxygen Project (HOP) Oxygen is the third most abundant element in the cosmos, but can be found in many forms. In the gas phase, oxygen can be ionized, atomic, or in molecular form, and it is also incorporated into grains. The molecular form is expected to dominate in cold, well-shielded regions, and in such molecular clouds, oxygen can be found in key species including carbon monoxide and water. Gas phase chemistry models predict molecular oxygen (O2) to be almost as abundant as CO. A number of searches for rotational transitions of O2 have been carried out. These include ground-based searches for the isotopologue 16O18O and searches for 16O2 in galaxies with red shift sufficient to move the line away from terrestrial atmospheric absorption. Searches for Galactic 16O2 carried out with the SWAS and Odin spacecraft have yielded upper limits on the abundance of molecular oxygen typically 1 to 2 orders of magnitude below those predicted by gas-phase models. There has been a statistical detection of O2 in one source, again at a low abundance. A variety of new models have been proposed to explain this low abundance, which involve grain surface and photo effects. To address this important problem in astro-chemistry and molecular cloud structure, we have developed the Open Time Key Project HOP (Herschel Oxygen Project), which exploits the high angular resolution and sensitivity of the HIFI instrument on Herschel to observe 3 rotational transitions of O2 in a broad sample of molecular clouds. We report on the status of HOP and present early results available from Priority Science Phase and Science Definition Phase observations.

  20. Theoretical atomic physics

    CERN Document Server

    Friedrich, Harald

    2017-01-01

    This expanded and updated well-established textbook contains an advanced presentation of quantum mechanics adapted to the requirements of modern atomic physics. It includes topics of current interest such as semiclassical theory, chaos, atom optics and Bose-Einstein condensation in atomic gases. In order to facilitate the consolidation of the material covered, various problems are included, together with complete solutions. The emphasis on theory enables the reader to appreciate the fundamental assumptions underlying standard theoretical constructs and to embark on independent research projects. The fourth edition of Theoretical Atomic Physics contains an updated treatment of the sections involving scattering theory and near-threshold phenomena manifest in the behaviour of cold atoms (and molecules). Special attention is given to the quantization of weakly bound states just below the continuum threshold and to low-energy scattering and quantum reflection just above. Particular emphasis is laid on the fundamen...

  1. Atomic Covalent Functionalization of Graphene

    Science.gov (United States)

    Johns, James E.; Hersam, Mark C.

    2012-01-01

    Conspectus Although graphene’s physical structure is a single atom thick, two-dimensional, hexagonal crystal of sp2 bonded carbon, this simple description belies the myriad interesting and complex physical properties attributed to this fascinating material. Because of its unusual electronic structure and superlative properties, graphene serves as a leading candidate for many next generation technologies including high frequency electronics, broadband photodetectors, biological and gas sensors, and transparent conductive coatings. Despite this promise, researchers could apply graphene more routinely in real-world technologies if they could chemically adjust graphene’s electronic properties. For example, the covalent modification of graphene to create a band gap comparable to silicon (~1 eV) would enable its use in digital electronics, and larger band gaps would provide new opportunities for graphene-based photonics. Towards this end, researchers have focused considerable effort on the chemical functionalization of graphene. Due to its high thermodynamic stability and chemical inertness, new methods and techniques are required to create covalent bonds without promoting undesirable side reactions or irreversible damage to the underlying carbon lattice. In this Account, we review and discuss recent theoretical and experimental work studying covalent modifications to graphene using gas phase atomic radicals. Atomic radicals have sufficient energy to overcome the kinetic and thermodynamic barriers associated with covalent reactions on the basal plane of graphene but lack the energy required to break the C-C sigma bonds that would destroy the carbon lattice. Furthermore, because they are atomic species, radicals substantially reduce the likelihood of unwanted side reactions that confound other covalent chemistries. Overall, these methods based on atomic radicals show promise for the homogeneous functionalization of graphene and the production of new classes of two

  2. Atomic compressibility and reversible insertion of atoms into solids

    International Nuclear Information System (INIS)

    Connerade, J.P.; Semaoune, R.

    2000-01-01

    We developed a theoretical model to investigate the compressibility of atoms. Atoms are confined inside a spherical cavity, simulated numerically by a finite repulsive potential barrier. The energy levels and wavefunctions of confined atoms are determined by solving, for different cavity radii, the relativistic Dirac-Fock equations, including formally the repulsive barrier. The changes in the atomic size and in the ground-state energy level allow one to define a positive isotropic pressure exerted on the confined atom. The model is applied to atomic caesium and it is demonstrated quantitatively that the remarkable compressibility of caesium originates from a purely atomic mechanism, namely the pressure-induced collapse of the 5d orbital. We propose that this mechanism can also drive, at an atomic level, a reversible insertion of atoms into solids. Applications to lithium-ion batteries are briefly discussed at the end of this paper. (author)

  3. Atomic Physics 16: Sixteenth International Conference on Atomic Physics. Proceedings

    International Nuclear Information System (INIS)

    Baylis, W.E.; Drake, G.W.

    1999-01-01

    These proceedings represent papers presented at the 16th International Conference on Atomic Physics held in Windsor, Ontario, Canada, in August, 1998. The topics discussed included a wide array of subjects in atomic physics such as atom holography, alignment in atomic collisions, coulomb-interacting particles, muon experiments, x-rays from comets, atomic electron collisions in intense laser fields, spectroscopy of trapped ions, and Bose-Einstein condensates. This conference represents the single most important meeting world wide on fundamental advances in atomic physics. There were 30 papers presented at the conference,out of which 4 have been abstracted for the Energy, Science and Technology database

  4. Early Atomism

    Indian Academy of Sciences (India)

    https://www.ias.ac.in/article/fulltext/reso/015/10/0905-0925. Keywords. Atomic theory; Avogadro's hypothesis; atomic weights; periodic table; valence; molecular weights; molecular formula; isomerism. Author Affiliations. S Ramasesha1. Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, ...

  5. Atomic physics

    CERN Document Server

    Born, Max

    1969-01-01

    The Nobel Laureate's brilliant exposition of the kinetic theory of gases, elementary particles, the nuclear atom, wave-corpuscles, atomic structure and spectral lines, electron spin and Pauli's principle, quantum statistics, molecular structure and nuclear physics. Over 40 appendices, a bibliography, numerous figures and graphs.

  6. Exotic atoms

    International Nuclear Information System (INIS)

    Backenstoss, G.

    1986-01-01

    Recent developments in the field of exotic atoms are presented. The improved quality of accelerator facilities and experimental techniques leads to a more precise determination of data. This opens new fields in nuclear and particle physics to which exotic atoms may contribute valuable knowledge. (author)

  7. Atomic diffusion in stars

    CERN Document Server

    Michaud, Georges; Richer, Jacques

    2015-01-01

    This book gives an overview of atomic diffusion, a fundamental physical process, as applied to all types of stars, from the main sequence to neutron stars. The superficial abundances of stars as well as their evolution can be significantly affected. The authors show where atomic diffusion plays an essential role and how it can be implemented in modelling.  In Part I, the authors describe the tools that are required to include atomic diffusion in models of stellar interiors and atmospheres. An important role is played by the gradient of partial radiative pressure, or radiative acceleration, which is usually neglected in stellar evolution. In Part II, the authors systematically review the contribution of atomic diffusion to each evolutionary step. The dominant effects of atomic diffusion are accompanied by more subtle effects on a large number of structural properties throughout evolution. One of the goals of this book is to provide the means for the astrophysicist or graduate student to evaluate the importanc...

  8. Superradiators created atom by atom

    Science.gov (United States)

    Meschede, Dieter

    2018-02-01

    High radiation rates are usually associated with macroscopic lasers. Laser radiation is “coherent”—its amplitude and phase are well-defined—but its generation requires energy inputs to overcome loss. Excited atoms spontaneously emit in a random and incoherent fashion, and for N such atoms, the emission rate simply increases as N. However, if these atoms are in close proximity and coherently coupled by a radiation field, this microscopic ensemble acts as a single emitter whose emission rate increases as N2 and becomes “superradiant,” to use Dicke's terminology (1). On page 662 of this issue, Kim et al. (2) show the buildup of coherent light fields through collective emission from atomic radiators injected one by one into a resonator field. There is only one atom ever in the cavity, but the emission is still collective and superradiant. These results suggest another route toward thresholdless lasing.

  9. Oxygen diffusion in cuprate superconductors

    International Nuclear Information System (INIS)

    Routbort, J.L.; Rothman, S.J.

    1995-01-01

    Superconducting properties of the cuprate superconductors depend on the oxygen content of the material; the diffusion of oxygen is thus an important process in the fabrication and application of these materials. This article reviews studies of the diffusion of oxygen in La 2-x Sr x CuO 4 , YBa 2 Cu 3 O 7- δ, YBa 2 Cu 4 O 8 , and the Bi 2 Sr 2 Ca n-1 Cu n O 2+4 (n = 1, and 2) superconductors, and attempt to elucidate the atomic mechanisms responsible

  10. Pulverized fuel-oxygen burner

    Science.gov (United States)

    Taylor, Curtis; Patterson, Brad; Perdue, Jayson

    2017-09-05

    A burner assembly combines oxygen and fuel to produce a flame. The burner assembly includes an oxygen supply tube adapted to receive a stream of oxygen and a solid fuel conduit arranged to extend through the oxygen tube to convey a stream of fluidized, pulverized, solid fuel into a flame chamber. Oxygen flowing through the oxygen supply tube passes generally tangentially through a first set of oxygen-injection holes formed in the solid fuel conduit and off-tangentially from a second set of oxygen-injection holes formed in the solid fuel conduit and then mixes with fluidized, pulverized, solid fuel passing through the solid fuel conduit to create an oxygen-fuel mixture in a downstream portion of the solid fuel conduit. This mixture is discharged into a flame chamber and ignited in the flame chamber to produce a flame.

  11. Physics of atoms and molecules

    International Nuclear Information System (INIS)

    Bransden, B.H.; Joachain, C.J.

    1983-01-01

    This book presents a unified account of the physics of atoms and molecules at a level suitable for second- and third-year undergraduate students of physics and physical chemistry. Following a brief historical introduction to the subject the authors outline the ideas and approximation methods of quantum mechanics to be used later in the book. Six chapters look at the structure of atoms and the interactions between atoms and electromagnetic radiation. The authors then move on to describe the structure of molecules and molecular spectra. Three chapters deal with atomic collisions, the scattering of electrons by atoms and the scattering of atoms by atoms. The concluding chapter considers a few of the many important applications of atomic physics within astrophysics, laser technology, and nuclear fusion. Problems are given at the end of each chapter, with hints at the solutions in an appendix. Other appendices include various special topics and derivations together with useful tables of units. (author)

  12. Atomic inner-shell physics

    International Nuclear Information System (INIS)

    Crasemann, B.

    1985-01-01

    This book discusses: relativistic and quantum electrodynamic effects on atomic inner shells; relativistic calculation of atomic transition probabilities; many-body effects in energetic atomic transitions; Auger Electron spectrometry of core levels of atoms; experimental evaluation of inner-vacancy level energies for comparison with theory; mechanisms for energy shifts of atomic K-X rays; atomic physics research with synchrotron radiation; investigations of inner-shell states by the electron energy-loss technique at high resolution; coherence effects in electron emission by atoms; inelastic X-ray scattering including resonance phenomena; Rayleigh scattering: elastic photon scattering by bound electrons; electron-atom bremsstrahlung; X-ray and bremsstrahlung production in nuclear reactions; positron production in heavy-ion collisions, and X-ray processes in heavy-ion collisions

  13. US-Japan Workshop on atomic-collision data for fusion

    International Nuclear Information System (INIS)

    Crandall, D.H.; Hafford, P.M.; Itikawa, Y.

    1981-04-01

    This report, containing abstracts of each of the presentations and discussions, includes: brief talks on the applications of atomic data in tokamaks and in inertial confinement; reviews of the specific atomic collisions projects for fusion in Japan and the United States; discussions of how the data centers operate and manner of exchanging data; brief reviews of the status of electron-ion scattering and ion-atom scattering; discussions of criteria to be used in evaluating and selecting both experimental and theoretical data in these two areas; comparisons of data selected for each of six specific collision reactions which were evaluated by both groups prior to the workshop; brief reviews of activities in the related areas of atomic structure and plasma wall interactions; and a decision to pursue a joint or collaborative compilation of recommended cross sections for oxygen ions for electron impact excitation and electron capture from atomic hydrogen

  14. Collisions of carbon and oxygen ions with electrons, H, H/sub 2/ and He: Volume 5

    Energy Technology Data Exchange (ETDEWEB)

    Phaneuf, R.A.; Janev, R.K.; Pindzola, M.S.

    1987-02-01

    This report provides a handbook for fusion research of recommended cross-section and rate-coefficient data for collisions of carbon and oxygen ions with electrons, hydrogen atoms and molecules, and helium atoms. Published experimental and theoretical data have been collected and evaluated, and recommended data are presented in tabular, graphical, and parametrized form. Processes considered include exciation, ionization, and charge exchange at collision energies appropriate to applications in fusion-energy research.

  15. Experimental atomic physics

    International Nuclear Information System (INIS)

    Anon.

    1985-01-01

    The experimental atomic physics program within the physics division is carried out by two groups, whose reports are given in this section. Work of the accelerator atomic physics group is centered around the 6.5-MV EN tandem accelerator; consequently, most of its research is concerned with atomic processes occurring to, or initiated by, few MeV/amu heavy ions. Other activities of this group include higher energy experiments at the Holifield Heavy Ion Research Facility (HHIRF), studies of electron and positron channeling radiation, and collaborative experiments at other institutions. The second experimental group concerns itself with lower energy atomic collision physics in support of the Fusion Energy Program. During the past year, the new Electron Cyclotron Resonance Source has been completed and some of the first data from this facility is presented. In addition to these two activities in experimental atomic physics, other chapters of this report describe progress in theoretical atomic physics, experimental plasma diagnostic development, and atomic data center compilation activities

  16. A rechargeable carbon-oxygen battery

    DEFF Research Database (Denmark)

    2014-01-01

    The invention relates to a rechargeable battery and a method to operate a rechargeable battery having high efficiency and high energy density for storing energy. The battery stores electrical energy in the bonds of carbon and oxygen atoms by converting carbon dioxide into solid carbon and oxygen....

  17. Topics in atomic physics

    CERN Document Server

    Burkhardt, Charles E

    2006-01-01

    The study of atomic physics propelled us into the quantum age in the early twentieth century and carried us into the twenty-first century with a wealth of new and, in some cases, unexplained phenomena. Topics in Atomic Physics provides a foundation for students to begin research in modern atomic physics. It can also serve as a reference because it contains material that is not easily located in other sources. A distinguishing feature is the thorough exposition of the quantum mechanical hydrogen atom using both the traditional formulation and an alternative treatment not usually found in textbooks. The alternative treatment exploits the preeminent nature of the pure Coulomb potential and places the Lenz vector operator on an equal footing with other operators corresponding to classically conserved quantities. A number of difficult to find proofs and derivations are included as is development of operator formalism that permits facile solution of the Stark effect in hydrogen. Discussion of the classical hydrogen...

  18. The ancient oxygen exosphere of Mars - Implications for atmosphere evolution

    Science.gov (United States)

    Zhang, M. H. G.; Luhmann, J. G.; Bougher, S. W.; Nagy, A. F.

    1993-01-01

    The paper considers absorption of oxygen (atoms and ions) by the surface as a mechanism for the early Martian atmosphere escape, due to the effect of high EUV flux of the ancient sun. Hot oxygen exosphere densities in ancient atmosphere and ionosphere are calculated for different EUV fluxes and the escape fluxes associated with these exposures. Using these densities, the ion production rate above the ionopause is calculated for different epochs including photoionization, charge exchange, and solar wind electron impact. It is found that, when the inferred high solar EUV fluxes of the past are taken into account, oxygen equivalent to that in several tens of meters of water, planet-wide, should have escaped Martian atmosphere to space over the last 3 Gyr.

  19. FAC: Flexible Atomic Code

    Science.gov (United States)

    Gu, Ming Feng

    2018-02-01

    FAC calculates various atomic radiative and collisional processes, including radiative transition rates, collisional excitation and ionization by electron impact, energy levels, photoionization, and autoionization, and their inverse processes radiative recombination and dielectronic capture. The package also includes a collisional radiative model to construct synthetic spectra for plasmas under different physical conditions.

  20. Atomic physics

    International Nuclear Information System (INIS)

    Held, B.

    1991-01-01

    This general book describes the change from classical physics to quantum physics. The first part presents atom evolution since antiquity and introduces fundamental quantities and elements of relativity. Experiments which have contributed to the evolution of knowledge on matter are analyzed in the second part. Applications of wave mechanics to the study of matter properties are presented in the third part [fr

  1. Atomic Power

    African Journals Online (AJOL)

    Atomic Power. By Denis Taylor: Dr. Taylor was formerly Chief UNESCO Advisor at the University. College, Nairobi, Kenya and is now Professor of Electrical Engineering in the Uni- versity of Strachlyde, Scotland. He is a leading scientist in the electronics field. He was among the British scientists who developed radar during ...

  2. Atomic Power

    African Journals Online (AJOL)

    that atom-produced electricity began to be more economic than electricity produced by conventional means. In the A.G.R., the uranium metal fuel elements are replaced by uranium dioxide, the higher gas temperatures permitting a more efficient steam cycle and allowing several economies. Initially a reactor of this type was ...

  3. Atomic Warrior

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 6; Issue 9. Atomic Warrior. Shabhana Narasimhan. Book Review Volume 6 Issue 9 September 2001 pp 106-109. Fulltext. Click here to view fulltext PDF. Permanent link: http://www.ias.ac.in/article/fulltext/reso/006/09/0106-0109. Author Affiliations.

  4. Scientific Opinion on the safety and efficacy of primary aliphatic saturated or unsaturated alcohols/aldehydes/acids/acetals/esters with a second primary, secondary or tertiary oxygenated functional group including aliphatic lactones (chemical group 9) when used as flavourings for all animal species

    OpenAIRE

    EFSA Panel on Additives and Products or Substances used in Animal Feed (FEEDAP)

    2012-01-01

    Chemical group 9 consists of primary aliphatic saturated or unsaturated alcohols/aldehydes/acids/acetals/esters with a second primary, secondary or tertiary oxygenated functional group including aliphatic lactones, of which 30 are currently authorised for use as flavours in food. The FEEDAP Panel was unable to perform an assessment of 2-oxopropanal because of issues related to the purity of the compound. The FEEDAP Panel concludes that lactic acid, succinic acid, fumaric acid, 4-oxov...

  5. The structure and properties of a nickel-base superalloy produced by osprey atomization-deposition

    Science.gov (United States)

    Bricknell, Rodger H.

    1986-04-01

    The production of a nickel-base superalloy, René* 80, by the Osprey atomization-deposition process has been investigated. Dense (>99 pct) material with a fine-grained equiaxed microstructure was deposited using either argon or nitrogen as the atomizing gas. Defects present in the material included a chill region at the collector plate interface, entrapped recirculated particles, porosity, and ceramic particles from the melting and dispensing system. In contrast to other rapid solidification techniques, low oxygen pick-ups are noted in the current technique. Tensile strengths above those displayed by castings are found in both nitrogen and argon atomized material, and in both the as-deposited and heat treated conditions. In addition, no profound mid-temperature ductility loss is displayed by this low oxygen material, in contrast to results on other rapidly solidified material with high oxygen contents. These results are explained in terms of oxygen embrittlement. In view of the excellent properties measured, the attractive economics of the process, and the fact that fine control of the gas/metal flow ratio is shown to be unnecessary, it is concluded that atomization-deposition presents an attractive potential production route for advanced alloys.

  6. Synchrotron radiation in atomic physics

    International Nuclear Information System (INIS)

    Crasemann, B.

    1998-01-01

    Much of present understanding of atomic and molecular structure and dynamics was gained through studies of photon-atom interactions. In particular, observations of the emission, absorption, and scattering of X rays have complemented particle-collision experiments in elucidating the physics of atomic inner shells. Grounded on Max von Laue's theoretical insight and the invention of the Bragg spectrometer, the field's potential underwent a step function with the development of synchrotron-radiation sources. Notably current third-generation sources have opened new horizons in atomic and molecular physics by producing radiation of wide tunability and exceedingly high intensity and polarization, narrow energy bandwidth, and sharp time structure. In this review, recent advances in synchrotron-radiation studies in atomic and molecular science are outlined. Some tempting opportunities are surveyed that arise for future studies of atomic processes, including many-body effects, aspects of fundamental photon-atom interactions, and relativistic and quantum-electrodynamic phenomena. (author)

  7. A study of oxygen transport in mixed conducting oxides using isotopic exchange and conductivity relaxation

    NARCIS (Netherlands)

    den Otter, M.W.

    2000-01-01

    Mixed conducting oxygen ion conductors can be applied as membranes for the separation of oxygen from air, as electrodes for both oxygen pumps and solid oxide fuel cells. In these applications, oxygen molecules dissociate on the surface of the material. The atomic oxygen species pick up two electrons

  8. Electronic Origin and Kinetic Feasibility of the Lattice Oxygen Participation During the Oxygen Evolution Reaction on Perovskites.

    Science.gov (United States)

    Yoo, Jong Suk; Liu, Yusu; Rong, Xi; Kolpak, Alexie M

    2018-04-05

    Density functional theory is employed to investigate the electronic origin and feasibility of surface lattice oxygen (O surf ) participation during the oxygen evolution reaction (OER) on perovskites. O surf participation occurs via the nonelectrochemical pathway in which adsorbed atomic oxygen (O*) diffuses from the transition-metal site to the oxygen site, and then O surf shifts out of the surface plane to react with O* to form O surf -O* and a surface oxygen vacancy. The different thermodynamic driving forces of O surf participation on LaMO 3-δ (M = Ni, Co, and Cu) are explained by the changes in the oxidation state of the transition-metal site throughout the reaction. We show that O surf participation on LaNiO 3 cannot be hindered by O surf protonation in the OER potential range. By including the coverage effect and utilizing the implicit solvent model, we finally show that lattice oxygen mechanism is more feasible than the conventional mechanism for OER on LaNiO 3 .

  9. Atomic Structure Theory Lectures on Atomic Physics

    CERN Document Server

    Johnson, Walter R

    2007-01-01

    Atomic Structure Theory is a textbook for students with a background in quantum mechanics. The text is designed to give hands-on experience with atomic structure calculations. Material covered includes angular momentum methods, the central field Schrödinger and Dirac equations, Hartree-Fock and Dirac-Hartree-Fock equations, multiplet structure, hyperfine structure, the isotope shift, dipole and multipole transitions, basic many-body perturbation theory, configuration interaction, and correlation corrections to matrix elements. Numerical methods for solving the Schrödinger and Dirac eigenvalue problems and the (Dirac)-Hartree-Fock equations are given as well. B-spline basis sets are used to carry out sums arising in higher-order many-body calculations. Illustrative problems are provided, together with solutions. FORTRAN programs implementing the numerical methods in the text are included.

  10. Atomic spectroscopy with diode lasers

    International Nuclear Information System (INIS)

    Tino, G.M.

    1994-01-01

    Some applications of semiconductor diode lasers in atomic spectroscopy are discussed by describing different experiments performed with lasers emitting in the visible and in the near-infrared region. I illustrate the results obtained in the investigation of near-infrared transitions of atomic oxygen and of the visible intercombination line of strontium. I also describe how two offset-frequency-locked diode lasers can be used to excite velocity selective Raman transitions in Cs. I discuss the spectral resolution, the accuracy of frequency measurements, and the detection sensitivity achievable with diode lasers. (orig.)

  11. Atomic and molecular beams production and collimation

    CERN Document Server

    Lucas, Cyril Bernard

    2013-01-01

    Atomic and molecular beams are employed in physics and chemistry experiments and, to a lesser extent, in the biological sciences. These beams enable atoms to be studied under collision-free conditions and allow the study of their interaction with other atoms, charged particles, radiation, and surfaces. Atomic and Molecular Beams: Production and Collimation explores the latest techniques for producing a beam from any substance as well as from the dissociation of hydrogen, oxygen, nitrogen, and the halogens.The book not only provides the basic expressions essential to beam design but also offers

  12. Oxygen-reducing catalyst layer

    Science.gov (United States)

    O'Brien, Dennis P [Maplewood, MN; Schmoeckel, Alison K [Stillwater, MN; Vernstrom, George D [Cottage Grove, MN; Atanasoski, Radoslav [Edina, MN; Wood, Thomas E [Stillwater, MN; Yang, Ruizhi [Halifax, CA; Easton, E Bradley [Halifax, CA; Dahn, Jeffrey R [Hubley, CA; O'Neill, David G [Lake Elmo, MN

    2011-03-22

    An oxygen-reducing catalyst layer, and a method of making the oxygen-reducing catalyst layer, where the oxygen-reducing catalyst layer includes a catalytic material film disposed on a substrate with the use of physical vapor deposition and thermal treatment. The catalytic material film includes a transition metal that is substantially free of platinum. At least one of the physical vapor deposition and the thermal treatment is performed in a processing environment comprising a nitrogen-containing gas.

  13. Oxygen safety

    Science.gov (United States)

    ... sure you have working smoke detectors and a working fire extinguisher in your home. If you move around the house with your oxygen, you may need more than one fire extinguisher in different locations. Smoking can be very dangerous. No one should smoke ...

  14. Controlling the bond scission sequence of oxygenates for energy applications

    Science.gov (United States)

    Stottlemyer, Alan L.

    The so called "Holy Grail" of heterogeneous catalysis is a fundamental understanding of catalyzed chemical transformations which span multidimensional scales of both length and time, enabling rational catalyst design. Such an undertaking is realizable only with an atomic level understanding of bond formation and destruction with respect to intrinsic properties of the metal catalyst. In this study, we investigate the bond scission sequence of small oxygenates (methanol, ethanol, ethylene glycol) on bimetallic transition metal catalysts and transition metal carbide catalysts. Oxygenates are of interest both as hydrogen carriers for reforming to H2 and CO and as fuels in direct alcohol fuel cells (DAFC). To address the so-called "materials gap" and "pressure gap" this work adopted three parallel research approaches: (1) ultra high vacuum (UHV) studies including temperature programmed desorption (TPD) and high-resolution electron energy loss spectroscopy (HREELS) on polycrystalline surfaces; (2) DFT studies including thermodynamic and kinetic calculations; (3) electrochemical studies including cyclic voltammetry (CV) and chronoamperometry (CA). Recent studies have suggested that tungsten monocarbide (WC) may behave similarly to Pt for the electrooxidation of oxygenates. TPD was used to quantify the activity and selectivity of oxygenate decomposition for WC and Pt-modifiedWC (Pt/WC) as compared to Pt. While decomposition activity was generally higher on WC than on Pt, scission of the C-O bond resulted in alkane/alkene formation on WC, an undesired product for DAFC. When Pt was added to WC by physical vapor deposition C-O bond scission was limited, suggesting that Pt synergistically modifies WC to improve the selectivity toward C-H bond scission to produce H2 and CO. Additionally, TPD confirmed WC and Pt/WC to be more CO tolerant than Pt. HREELS results verified that surface intermediates were different on Pt/WC as compared to Pt or WC and evidence of aldehyde

  15. Atom-surface potentials and atom interferometry

    International Nuclear Information System (INIS)

    Babb, J.F.

    1998-01-01

    Long-range atom-surface potentials characterize the physics of many actual systems and are now measurable spectroscopically in deflection of atomic beams in cavities or in reflection of atoms in atomic fountains. For a ground state, spherically symmetric atom the potential varies as -1/R 3 near the wall, where R is the atom-surface distance. For asymptotically large distances the potential is weaker and goes as -1/R 4 due to retardation arising from the finite speed of light. This diminished interaction can also be interpreted as a Casimir effect. The possibility of measuring atom-surface potentials using atomic interferometry is explored. The particular cases studied are the interactions of a ground-state alkali-metal atom and a dielectric or a conducting wall. Accurate descriptions of atom-surface potentials in theories of evanescent-wave atomic mirrors and evanescent wave-guided atoms are also discussed. (author)

  16. Atomic and plasma-material interaction data for fusion. V. 2

    International Nuclear Information System (INIS)

    1992-01-01

    This issues of the Atomic and Plasma-Material Interaction Data for Fusion contains 9 papers on atomic and molecular processes in the edge region of magnetically confined fusion plasmas, including spectroscopic data for fusion edge plasmas; electron collision processes with plasma edge neutrals; electron-ion collisions in the plasma edge; cross-section data for collisions of electrons with hydrocarbon molecules; dissociative and energy transfer reactions involving vibrationally excited hydrogen or deuterium molecules; an assessment of ion-atom collision data for magnetic fusion plasma edge modeling; an extended scaling of cross sections for the ionization of atomic and molecular hydrogen as well as helium by multiply-charged ions; ion-molecule collision processes relevant to fusion edge plasmas; and radiative losses and electron cooling rates for carbon and oxygen plasma impurities. Refs, figs and tabs

  17. Quantum information with Rydberg atoms

    DEFF Research Database (Denmark)

    Saffman, Mark; Walker, T.G.; Mølmer, Klaus

    2010-01-01

    Rydberg atoms with principal quantum number n»1 have exaggerated atomic properties including dipole-dipole interactions that scale as n4 and radiative lifetimes that scale as n3. It was proposed a decade ago to take advantage of these properties to implement quantum gates between neutral atom...... of multiqubit registers, implementation of robust light-atom quantum interfaces, and the potential for simulating quantum many-body physics. The advances of the last decade are reviewed, covering both theoretical and experimental aspects of Rydberg-mediated quantum information processing....

  18. Optical angular momentum and atoms.

    Science.gov (United States)

    Franke-Arnold, Sonja

    2017-02-28

    Any coherent interaction of light and atoms needs to conserve energy, linear momentum and angular momentum. What happens to an atom's angular momentum if it encounters light that carries orbital angular momentum (OAM)? This is a particularly intriguing question as the angular momentum of atoms is quantized, incorporating the intrinsic spin angular momentum of the individual electrons as well as the OAM associated with their spatial distribution. In addition, a mechanical angular momentum can arise from the rotation of the entire atom, which for very cold atoms is also quantized. Atoms therefore allow us to probe and access the quantum properties of light's OAM, aiding our fundamental understanding of light-matter interactions, and moreover, allowing us to construct OAM-based applications, including quantum memories, frequency converters for shaped light and OAM-based sensors.This article is part of the themed issue 'Optical orbital angular momentum'. © 2017 The Author(s).

  19. Hot atom chemistry of carbon

    International Nuclear Information System (INIS)

    Wolf, A.P.

    1975-01-01

    The chemistry of energetic carbon atoms is discussed. The experimental approach to studies that have been carried out is described and the mechanistic framework of hot carbon atom reactions is considered in some detail. Finally, the direction that future work might take is examined, including the relationship of experimental to theoretical work. (author)

  20. Atomic and molecular theory

    International Nuclear Information System (INIS)

    Inokuti, Mitio.

    1990-01-01

    The multifaceted role of theoretical physics in understanding the earliest stages of radiation action is discussed. Scientific topics chosen for the present discourse include photoabsorption, electron collisions, and ionic collisions, and electron transport theory, Connections of atomic and molecular physics with condensed-matter physics are also discussed. The present article includes some historical perspective and an outlook for the future. 114 refs., 3 figs

  1. Oxygen chemistry of shocked interstellar clouds. III - Sulfur and oxygen species in dense clouds

    Science.gov (United States)

    Leen, T. M.; Graff, M. M.

    1988-01-01

    The chemical evolution of oxygen and sulfur species in shocked dense clouds is studied. Reaction rate constants for several important neutral reactions are examined, and revised values are suggested. The one-fluid magnetohydrodynamic shock structure and postshock chemical evolution are calculated for shocks of velocity v(s) = 10 km/s through clouds of initial number density n(0) = 100,000/cu cm and of molecule/atom ratios H2/H = 10, 1000, and 100,000 with most sulfur contained initially in molecules SO2 and SO. Abundances of SO2, SO, CS, and OCS remain near their preshock values, except in clouds containing substantial amounts of atomic hydrogen, where significant destruction of sulfur-oxygen species occurs. Abundances of shock-enhanced molecules HS and H2O are sensitive to the molecule/atom ratio. Nonthermal oxygen-hydrogen chemistry has a minor effect on oxygen-sulfur molecules in the case H2/H = 10.

  2. Atomic magnetometer

    Science.gov (United States)

    Schwindt, Peter [Albuquerque, NM; Johnson, Cort N [Albuquerque, NM

    2012-07-03

    An atomic magnetometer is disclosed which uses a pump light beam at a D1 or D2 transition of an alkali metal vapor to magnetically polarize the vapor in a heated cell, and a probe light beam at a different D2 or D1 transition to sense the magnetic field via a polarization rotation of the probe light beam. The pump and probe light beams are both directed along substantially the same optical path through an optical waveplate and through the heated cell to an optical filter which blocks the pump light beam while transmitting the probe light beam to one or more photodetectors which generate electrical signals to sense the magnetic field. The optical waveplate functions as a quarter waveplate to circularly polarize the pump light beam, and as a half waveplate to maintain the probe light beam linearly polarized.

  3. High Atom Number in Microsized Atom Traps

    Science.gov (United States)

    2015-12-14

    Final Performance Report on ONR Grant N00014-12-1-0608 High atom number in microsized atom traps for the period 15 May 2012 through 14 September...TYPE Final Technical Report 3. DATES COVERED (From - To) 05/15/2012-09/14/2012 4. TITLE AND SUBTITLE High atom number in microsized atom traps...forces for implementing a small-footprint, large-number atom -chip instrument. Bichromatic forces rely on absorption and stimulated emission to produce

  4. Gamma induced atom displacements in LYSO and LuYAP crystals as used in medical imaging applications

    Energy Technology Data Exchange (ETDEWEB)

    Piñera, Ibrahin, E-mail: ipinera@ceaden.edu.cu [Centro de Aplicaciones Tecnológicas y Desarrollo Nuclear, CEADEN, 30 St. 502, Playa 11300, Havana (Cuba); Cruz, Carlos M.; Abreu, Yamiel; Leyva, Antonio [Centro de Aplicaciones Tecnológicas y Desarrollo Nuclear, CEADEN, 30 St. 502, Playa 11300, Havana (Cuba); Van Espen, Piet [University of Antwerp, CGB, Groenenborgerlaan 171, 2020 Antwerpen (Belgium); Díaz, Angelina; Cabal, Ana E. [Centro de Aplicaciones Tecnológicas y Desarrollo Nuclear, CEADEN, 30 St. 502, Playa 11300, Havana (Cuba); Van Remortel, Nick [University of Antwerp, CGB, Groenenborgerlaan 171, 2020 Antwerpen (Belgium)

    2015-08-01

    The radiation damage, in terms of atom displacements, induced by gamma irradiation in LYSO and LuYAP crystals is presented. {sup 44}Sc, {sup 22}Na and {sup 48}V are used as gamma sources for this study. The energy of gammas from the electron–positron annihilation processes (511 keV) is also included in the study. The atom displacements distributions inside each material are calculated following the Monte Carlo assisted Classical Method introduced by the authors. This procedure also allows to study the atom displacements in-depth distributions inside each crystal. The atom displacements damage in LYSO crystals is found to be higher than in LuYAP crystals, mainly provoked by the displacements of silicon and oxygen atoms. But the difference between atom displacements produced in LYSO and LuYAP decreases when more energetic sources are used. On the other hand, the correlation between the atom displacements and energy deposition in-depth distributions is excellent. The atom displacements to energy deposition ratio is found to increases with more energetic photon sources. LYSO crystals are then more liable to the atom displacements damage than LuYAP crystals.

  5. Analysis of fuel oxygenates in the environment

    Energy Technology Data Exchange (ETDEWEB)

    Schmidt, T.C.; Berg, M.; Haderlein, S.B. [Swiss Federal Inst. for Environmental Science and Technology (EAWAG) (Switzerland); Swiss Federal Inst. of Technology (ETH), Duebendorf (Switzerland); Duong, Hong-Anh [Vietnam National Univ.,Hanoi (Viet Nam). Center for Environmental Chemistry

    2001-07-01

    This paper presents an overview of currently available analytical methods for fuel oxygenates such as methyl tert-butyl ether and ethanol and highlights the advantages and disadvantages of the different methods. The occurrence of fuel oxygenates in water and air is explored, and sampling and enrichment of oxygenates in water are described covering water sampling, direct aqueous injection into a chromatographic column, headspace analysis, purge and trap enrichment, and solid phase microextraction. Methods for sampling and enrichment of oxygenates in air, separation of fuel oxygenates, preparation of standards and calibration, and detection using flame ionisation and photoionisation detection, mass spectrometry, atomic emission detection, and Fourier transform infrared spectroscopy are examined. Environmentally relevant physiochemical parameters of fuel oxygenates are tabulated, and injection and enrichment techniques for water analysis are compared.

  6. Oxygen isotopes implanted in the LDEF spacecraft

    Science.gov (United States)

    Saxton, J. M.; Lyon, I. C.; Chatzitheodoridis, E.; Vanlierde, P.; Gilmour, J. D.; Turner, G.

    1993-01-01

    Secondary ion mass spectrometry was used to study oxygen implanted in the surface of copper from the Long Duration Exposure Facility (LDEF). Oxidation that occurred in orbit shows a characteristic oxygen isotope composition, depleted in O-18. The measured depletion is comparable to the predicted depletion (45 percent) based on a model of the gravitational separation of the oxygen isotopes. The anomalous oxygen was contained within 10nm of the surface. Tray E10 was calculated to have received 5.14 x 10(exp 21) atoms of oxygen cm(sup -2) during the LDEF mission and so there is sufficient anomalous implanted oxygen present in the surface to obtain a reliable isotopic profile.

  7. Non-thermal hydrogen atoms in the terrestrial upper thermosphere.

    Science.gov (United States)

    Qin, Jianqi; Waldrop, Lara

    2016-12-06

    Model predictions of the distribution and dynamical transport of hydrogen atoms in the terrestrial atmosphere have long-standing discrepancies with ultraviolet remote sensing measurements, indicating likely deficiencies in conventional theories regarding this crucial atmospheric constituent. Here we report the existence of non-thermal hydrogen atoms that are much hotter than the ambient oxygen atoms in the upper thermosphere. Analysis of satellite measurements indicates that the upper thermospheric hydrogen temperature, more precisely the mean kinetic energy of the atomic hydrogen population, increases significantly with declining solar activity, contrary to contemporary understanding of thermospheric behaviour. The existence of hot hydrogen atoms in the upper thermosphere, which is the key to reconciling model predictions and observations, is likely a consequence of low atomic oxygen density leading to incomplete collisional thermalization of the hydrogen population following its kinetic energization through interactions with hot atomic or ionized constituents in the ionosphere, plasmasphere or magnetosphere.

  8. Order within disorder: The atomic structure of ion-beam sputtered amorphous tantala (a-Ta2O5

    Directory of Open Access Journals (Sweden)

    Riccardo Bassiri

    2015-03-01

    Full Text Available Amorphous tantala (a-Ta2O5 is a technologically important material often used in high-performance coatings. Understanding this material at the atomic level provides a way to further improve performance. This work details extended X-ray absorption fine structure measurements of a-Ta2O5 coatings, where high-quality experimental data and theoretical fits have allowed a detailed interpretation of the nearest-neighbor distributions. It was found that the tantalum atom is surrounded by four shells of atoms in sequence; oxygen, tantalum, oxygen, and tantalum. A discussion is also included on how these models can be interpreted within the context of published crystalline Ta2O5 and other a-T2O5 studies.

  9. Oxygen atom transfer reactions from dioxygen to phosphines via a bridging sulfur dioxide in a trinuclear cluster complex of rhenium, [(Ph(3)P)(2)N][Re(3)(mu(3)-S)(mu-S)(2)(mu-SO(2))Cl(6)(PMe(2)Ph)(3)].

    Science.gov (United States)

    Saito, Taro; Sunaga, Tomoaki; Sakai, Nobuaki; Nakamura, Yoichi; Yamamoto, Saori; Iriuchijima, Daisuke; Yoza, Kenji

    2005-06-13

    A trinuclear rhenium sulfide cluster complex, [(Ph(3)P)(2)N][Re(3)(mu(3)-S)(mu-S)(3)Cl(6)(PMe(2)Ph)(3)], synthesized from Re(3)S(7)Cl(7), dimethylphenylphosphine, and [(Ph(3)P)(2)N]Cl is readily converted to a bridging SO(2) complex, [(Ph(3)P)(2)N][Re(3)(mu(3)-S)(mu-S)(2)(mu-SO(2))Cl(6)(PMe(2)Ph)(3)], by reaction with O(2). The oxygen atoms on the SO(2) ligand react with phosphines or phosphites to form phosphine oxides or phosphates, and the original cluster complex is recovered. The reaction course has been monitored by (31)P NMR as well as by UV-vis spectroscopy. The catalytic oxygenation of PMePh(2) in the presence of the SO(2) complex shows that turnovers are 8 per hour at 23 degrees C in CDCl(3). The X-ray structures of the cluster complexes are described.

  10. Kinetics of oxygen species in an electrically driven singlet oxygen generator

    Science.gov (United States)

    Azyazov, V. N.; Torbin, A. P.; Pershin, A. A.; Mikheyev, P. A.; Heaven, M. C.

    2015-12-01

    The kinetics of oxygen species in the gaseous medium of a discharge singlet oxygen generator has been revisited. Vibrationally excited ozone O3(υ) formed in O + O2 recombination is thought to be a significant agent in the deactivation of singlet oxygen O2(a1Δ), oxygen atom removal and ozone formation. It is shown that the process O3(υ ⩾ 2) + O2(a1Δ) → 2O2 + O is the main O2(a1Δ) deactivation channel in the post-discharge zone. If no measures are taken to decrease the oxygen atom concentration, the contribution of this process to the overall O2(a1Δ) removal is significant, even in the discharge zone. A simplified model for the kinetics of vibrationally excited ozone is proposed. Calculations based on this model yield results that are in good agreement with the experimental data.

  11. Atomic processes relevant to polarization plasma spectroscopy

    International Nuclear Information System (INIS)

    Fujimoto, T.; Koike, F.; Sakimoto, K.; Okasaka, R.; Kawasaki, K.; Takiyama, K.; Oda, T.; Kato, T.

    1992-04-01

    When atoms (ions) are excited anisotropically, polarized excited atoms are produced and the radiation emitted by these atoms is polarized. From the standpoint of plasma spectroscopy research, we review the existing data for various atomic processes that are related to the polarization phenomena. These processes are: electron impact excitation, excitation by atomic and ionic collisions, photoexcitation, radiative recombination and bremsstrahlung. Collisional and radiative relaxation processes of atomic polarization follow. Other topics included are: electric-field measurement, self alignment, Lyman doublet intensity ratio, and magnetic-field measurement of the solar prominence. (author)

  12. Electric Discharge and Afterglow Kinetics for Laser Mixtures with Carbon Monoxide, Oxygen and Iodine

    National Research Council Canada - National Science Library

    Ionin, Andrey

    2006-01-01

    ... lasers, for producing electrically excited oxygen and for obtaining iodine atoms via iodine dissociation, which can be extremely useful for the development of the electrically assisted oxygen-iodine laser...

  13. Biochemical Oxygen Demand and Dissolved Oxygen. Training Module 5.105.2.77.

    Science.gov (United States)

    Kirkwood Community Coll., Cedar Rapids, IA.

    This document is an instructional module package prepared in objective form for use by an instructor familiar with the azide modification of the Winkler dissolved oxygen test and the electronic dissolved oxygen meter test procedures for determining the dissolved oxygen and the biochemical oxygen demand of a wastewater sample. Included are…

  14. High-Pressure Oxygen Concentrator, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — NASA desires to generate and store gases including oxygen and nitrogen at sub-critical conditions as a part of its lunar and spacecraft atmospheric systems. Oxygen...

  15. High-Pressure Oxygen Concentrator, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — NASA desires to generate and store gases including oxygen and nitrogen at sub-critical conditions as a part of its lunar and spacecraft atmospheric systems. Oxygen...

  16. Bremsstrahlung in atom-atom collisions

    International Nuclear Information System (INIS)

    Amus'ya, M.Y.; Kuchiev, M.Y.; Solov'ev, A.V.

    1985-01-01

    It is shown that in the collision of a fast atom with a target atom when the frequencies are on the order of the potentials or higher, there arises bremsstrahlung comparable in intensity with the bremsstrahlung emitted by an electron with the same velocity in the field of the target atom. The mechanism by which bremsstrahlung is produced in atom-atom collisions is elucidated. Results of specific calculations of the bremsstrahlung spectra are given for α particles and helium atoms colliding with xenon

  17. Binuclear manganese compounds of potential biological significance. Part 2. Mechanistic study of hydrogen peroxide disproportionation by dimanganese complexes: the two oxygen atoms of the peroxide end up in a dioxo intermediate.

    Science.gov (United States)

    Dubois, Lionel; Caspar, Régis; Jacquamet, Lilian; Petit, Pierre-Emmanuel; Charlot, Marie-France; Baffert, Carole; Collomb, Marie-Noëlle; Deronzier, Alain; Latour, Jean-Marc

    2003-08-11

    presence of two or three O atoms at 1.87 A and three or two N/O atoms at 2.14 A. In addition one N atom was found at a longer distance (2.3 A) and one Mn at 2.63 A. 2a can be one-electron oxidized at E(1/2) = 0.91 V(NHE) (DeltaE(1/2) = 0.08 V) leading to its Mn(IV)Mn(IV) analogue. The formation of 2a from 1a was monitored by UV-visible and X-ray absorption spectroscopies. Both concur to show that an intermediate Mn(II)Mn(III) species, resembling 4a [Mn(2)(L)(OAc)(2)(H(2)O)](ClO(4))(2), the one-electron-oxidized form of 1a, is formed initially and transforms into 2a. The structures of the active intermediates 2 and 3 are discussed in light of their spectroscopic properties, and potential mechanisms are considered and discussed in the context of the biological reaction.

  18. Electromagnetic transitions in the atom

    International Nuclear Information System (INIS)

    Ulehla, I.; Suk, M.; Trka, Z.

    1990-01-01

    Methods to achieve excitation of atoms are outlined and conditions necessary for the occurrence of electromagnetic transitions in the atomic shell are given. Radiative transitions between the energy states of the atom include stimulated absorption, spontaneous emission, and stimulated emission. Selection rules applying to the majority of observed transitions are given. The parity concept is explained. It is shown how the electromagnetic field and its interaction with the magnetic moment of the atom lead to a disturbance of the energy states of the atom and the occurrence of various electro-optical and magneto-optical phenomena. The Stark effect and electron spin resonance are described. X-rays and X-ray spectra, the Auger effect and the internal photoeffect are also dealt with. The principle of the laser is explained. (M.D.). 22 figs., 1 tab

  19. Exotic objects of atomic physics

    Science.gov (United States)

    Eletskii, A. V.

    2017-11-01

    There has been presented a short survey of physical properties, methods of production and exploration as well as directions of practical usage of the objects of atomic physics which are not yet described in detail in modern textbooks and manuals intended for students of technical universities. The family of these objects includes negative and multicharged ions, Rydberg atoms, excimer molecules, clusters. Besides of that, in recent decades this family was supplemented with new nanocarbon structures such as fullerenes, carbon nanotubes and graphene. The textbook “Exotic objects of atomic physics” [1] edited recently contains some information on the above-listed objects of the atomic physics. This textbook can be considered as a supplement to classic courses of atomic physics teaching in technical universities.

  20. Curious behavior of optically trapped neutral atoms

    International Nuclear Information System (INIS)

    Wieman, C.; Walker, T.; Sesko, D.; Monroe, C.

    1991-01-01

    We have studied the behavior of clouds of neutral atoms contained in a spontaneous force optical trap. Because of the low temperatures of the atoms ( 5 atoms. These include the expansion of the cloud as the number is increased and dramatic changes in the distribution of the atoms at higher numbers. We can explain much of the collective behavior using a simple model that includes a 1/r 2 force between the atoms arising from the multiple scattering of photons. Finally, we discuss the optical trapping of atoms directly from a low pressure vapor in a small glass cell. We have used these optically trapped atoms to load a magnetostatic trap in the same cell. This provided a high density sample of atoms with a temperature of less than 2 μK

  1. "Bohr's Atomic Model."

    Science.gov (United States)

    Willden, Jeff

    2001-01-01

    "Bohr's Atomic Model" is a small interactive multimedia program that introduces the viewer to a simplified model of the atom. This interactive simulation lets students build an atom using an atomic construction set. The underlying design methodology for "Bohr's Atomic Model" is model-centered instruction, which means the central model of the…

  2. Relativistic elementary atoms

    International Nuclear Information System (INIS)

    Mrowczynski, S.

    1989-01-01

    The physics of relativistic elementary atoms,i.e. of Coulomb bound states of elementary particles, like positronium, pionium or an atom of μ + π - , is presented. The atom lifetimes and processes, in which the atoms are produced, are discussed. The interaction of the atoms with matter is also described. A simple derivation of most results is given. 33 refs. (author)

  3. Oxygen therapy for cystic fibrosis.

    Science.gov (United States)

    Elphick, Heather E; Mallory, George

    2013-07-25

    The most serious complications of cystic fibrosis (CF) relate to respiratory insufficiency. Oxygen supplementation therapy has long been a standard of care for individuals with chronic lung diseases associated with hypoxemia. Physicians commonly prescribe oxygen therapy for people with CF when hypoxemia occurs. However, it is unclear if empiric evidence is available to provide indications for this therapy with its financial costs and often profound impact on lifestyle. To assess whether oxygen therapy improves the longevity or quality of life of individuals with CF. We searched the Cochrane Cystic Fibrosis and Genetic Disorders Group Trials Register, comprising references identified from comprehensive electronic database searches and handsearches of relevant journals and abstract books of conference proceedings.Latest search of Group's Trials Register: 15 May 2013. Randomized or quasi-randomized controlled trials comparing oxygen, administered at any concentration, by any route, in people with documented CF for any time period. Authors independently assessed the risk of bias for included studies and extracted data. This review includes 11 published studies (172 participants); only one examined long-term oxygen therapy (28 participants). There was no statistically significant improvement in survival, lung, or cardiac health. There was an improvement in regular attendance at school or work in those receiving oxygen therapy at 6 and 12 months. Four studies examined the effect of oxygen supplementation during sleep by polysomnography. Although oxygenation improved, mild hypercapnia was noted. Participants fell asleep quicker and spent a reduced percentage of total sleep time in rapid eye movement sleep, but there were no demonstrable improvements in qualitative sleep parameters. Six studies evaluated oxygen supplementation during exercise. Again, oxygenation improved, but mild hypercapnia resulted. Participants receiving oxygen therapy were able to exercise for a

  4. Atomic structure holography using thermal neutrons

    International Nuclear Information System (INIS)

    Sur, B.; Rogge, R.B.; Hammond, R.P.; Anghel, V.N.P.; Katsaras, J.

    2001-01-01

    The idea of atomic-resolution holography has its roots in the X-ray work of Bragg and in Gabor's electron interference microscope. Gabor's lensless microscope was not realized in his time, but over the past twelve years there has been a steady increase in the number of reports on atomic-resolution holography. All of this work involves the use of electrons or hard X-rays to produce the hologram. Neutrons are often unique among scattering probes in their interaction with materials: for example, the relative visibility of hydrogen and its isotopes is a great advantage in the study of polymers and biologically relevant materials. Recent work proposed that atomic-resolution holography could be achieved with thermal neutrons. Here we use monochromatic thermal neutrons, adopting the inside-source concept of Szoke, to image planes of oxygen atoms located above and below a single hydrogen atom in the oxide mineral Simpsonite. (author)

  5. Oxygen Atom Transfer Using an Iron(IV)-Oxo Embedded in a Tetracyclic N-Heterocyclic Carbene System: How Does the Reactivity Compare to Cytochrome P450 Compound I?

    Science.gov (United States)

    Cantú Reinhard, Fabián G; de Visser, Sam P

    2017-02-24

    N-Heterocyclic carbenes (NHC) are commonly featured as ligands in transition metal catalysis. Recently, a cyclic system containing four NHC groups with a central iron atom was synthesized and its iron(IV)-oxo species, [Fe IV (O)(cNHC 4 )] 2+ , was characterized. This tetracyclic NHC ligand system may give the iron(IV)-oxo species unique catalytic properties as compared to traditional non-heme and heme iron ligand systems. Therefore, we performed a computational study on the structure and reactivity of the [Fe IV (O)(cNHC 4 )] 2+ complex in substrate hydroxylation and epoxidation reactions. The reactivity patterns are compared with cytochrome P450 Compound I and non-heme iron(IV)-oxo models and it is shown that the [Fe IV (O)(cNHC 4 )] 2+ system is an effective oxidant with oxidative power analogous to P450 Compound I. Unfortunately, in polar solvents, a solvent molecule will bind to the sixth ligand position and decrease the catalytic activity of the oxidant. A molecular orbital and valence bond analysis provides insight into the origin of the reactivity differences and makes predictions of how to further exploit these systems in chemical catalysis. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Atom lasers and nonlinear atom optics

    International Nuclear Information System (INIS)

    Deng Lu

    2000-01-01

    Two recent experimental breakthroughs in the field of atomic physics are reported: the realization of a well-collimated, widely tunable, quasi-continuous wave atom laser, and the generation of matter waves via coherent multi-wave mixing. The former is a critical step towards a continuous wave, high brightness atom laser while the latter has opened a new field of research: nonlinear atom optics

  7. Characterization and reactivity of a terminal nickel(III)-oxygen adduct.

    Science.gov (United States)

    Pirovano, Paolo; Farquhar, Erik R; Swart, Marcel; Fitzpatrick, Anthony J; Morgan, Grace G; McDonald, Aidan R

    2015-02-23

    High-valent terminal metal-oxygen adducts are hypothesized to be the potent oxidizing reactants in late transition metal oxidation catalysis. In particular, examples of high-valent terminal nickel-oxygen adducts are scarce, meaning there is a dearth in the understanding of such oxidants. A monoanionic Ni(II)-bicarbonate complex has been found to react in a 1:1 ratio with the one-electron oxidant tris(4-bromophenyl)ammoniumyl hexachloroantimonate, yielding a thermally unstable intermediate in high yield (ca. 95%). Electronic absorption, electronic paramagnetic resonance, and X-ray absorption spectroscopies and density functional theory calculations confirm its description as a low-spin (S = 1/2), square planar Ni(III)-oxygen adduct. This rare example of a high-valent terminal nickel-oxygen complex performs oxidations of organic substrates, including 2,6-di-tert-butylphenol and triphenylphosphine, which are indicative of hydrogen atom abstraction and oxygen atom transfer reactivity, respectively. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Anaerobic biodegradation of gasoline oxygenates. Extrapolation of information to multiple sites and redox conditions

    Energy Technology Data Exchange (ETDEWEB)

    Mormile, M.R.; Liu, S.; Suflita, J.M. (Univ. of Oklahoma, Norman, OK (United States))

    1994-09-01

    A series of alcohol, ketone, ester, and ether oxygenates were tested for their susceptibility to anaerobic decay in samples from four chronically contaminated sedimentary environments. The effect of various electron acceptors on oxygenate biodegradation was also evaluated with a single inoculum source. In addition, two acetogenic bacteria were tested for their ability to metabolize selected oxygenate compounds. The susceptibility of the test oxygenates to anaerobic decay could be related to their chemical structure. That is, compounds other than the ethers that possessed primary or secondary substituted carbon atoms were readily degraded under all conditions tested while compounds that had tertiary substituted carbon atoms resisted biodegradation. The ether oxygenates were generally not degraded when incubated with various inocula, regardless of the electron acceptor status. The exceptions included methyl butyl ether, which was depleted in both sulfate-reducing and methanogenic incubations, and the partial transformation of methyl tert-butyl ether to tert-butanol after a 152-day acclimation period in a single replicate from a river sediment chronically contaminated with fuel. Heat-inactivated control incubations suggested that the latter transformation was biologically catalyzed. 47 refs., 1 fig., 3 tabs.

  9. Atomic weight versus atomic mass controversy

    International Nuclear Information System (INIS)

    Holden, N.E.

    1985-01-01

    A problem for the Atomic Weights Commission for the past decade has been the controversial battle over the names ''atomic weight'' and ''atomic mass''. The Commission has considered the arguments on both sides over the years and it appears that this meeting will see more of the same discussion taking place. In this paper, I review the situation and offer some alternatives

  10. Proposal to consistently apply the International Code of Nomenclature of Prokaryotes (ICNP) to names of the oxygenic photosynthetic bacteria (cyanobacteria), including those validly published under the International Code of Botanical Nomenclature (ICBN)/International Code of Nomenclature for algae, fungi and plants (ICN), and proposal to change Principle 2 of the ICNP.

    Science.gov (United States)

    Pinevich, Alexander V

    2015-03-01

    This taxonomic note was motivated by the recent proposal [Oren & Garrity (2014) Int J Syst Evol Microbiol 64, 309-310] to exclude the oxygenic photosynthetic bacteria (cyanobacteria) from the wording of General Consideration 5 of the International Code of Nomenclature of Prokaryotes (ICNP), which entails unilateral coverage of these prokaryotes by the International Code of Nomenclature for algae, fungi, and plants (ICN; formerly the International Code of Botanical Nomenclature, ICBN). On the basis of key viewpoints, approaches and rules in the systematics, taxonomy and nomenclature of prokaryotes it is reciprocally proposed to apply the ICNP to names of cyanobacteria including those validly published under the ICBN/ICN. For this purpose, a change to Principle 2 of the ICNP is proposed to enable validation of cyanobacterial names published under the ICBN/ICN rules. © 2015 IUMS.

  11. Teach us atom structure

    Energy Technology Data Exchange (ETDEWEB)

    Lim, Suh Yeon

    2006-08-15

    This book is written to teach atom structure in very easy way. It is divided into nine chapters, which indicates what is the components of matter? when we divide matter continuously, it becomes atom, what did atom look like? particles comprised of matter is not only atom, discover of particles comprised of atom, symbol of element, various radiation, form alchemy to nuclear transmutation, shape of atom is evolving. It also has various pictures in each chapters to explain easily.

  12. Oxygen - A Four Billion Year History

    DEFF Research Database (Denmark)

    Canfield, Donald Eugene

    The air we breathe is twenty-one percent oxygen, an amount higher than on any other known world. While we may take our air for granted, Earth was not always an oxygenated planet. How did it become this way? Oxygen is the most current account of the history of atmospheric oxygen on Earth. Donald...... of fields, including geology, paleontology, geochemistry, biochemistry, animal physiology, and microbiology, to explain why our oxygenated Earth became the ideal place for life. Describing which processes, both biological and geological, act to control oxygen levels in the atmosphere, Canfield traces...... the records of oxygen concentrations through time. Readers learn about the great oxidation event, the tipping point 2.3 billion years ago when the oxygen content of the Earth increased dramatically, and Canfield examines how oxygenation created a favorable environment for the evolution of large animals. He...

  13. Highly excited atoms

    International Nuclear Information System (INIS)

    Kleppner, D.; Littman, M.G.; Zimmerman, M.L.

    1981-01-01

    Highly excited atoms are often called Rydberg atoms. These atoms have a wealth of exotic properties which are discussed. Of special interest, are the effects of electric and magnetic fields on Rydberg atoms. Ordinary atoms are scarcely affected by an applied electric or magnetic field; Rydberg atoms can be strongly distorted and even pulled apart by a relatively weak electric field, and they can be squeezed into unexpected shapes by a magnetic field. Studies of the structure of Rydberg atoms in electric and magnetic fields have revealed dramatic atomic phenomena that had not been observed before

  14. Laser-assisted atom-atom collisions

    International Nuclear Information System (INIS)

    Roussel, F.

    1984-01-01

    The basic layer-assisted atom-atom collision processes are reviewed in order to get a simpler picture of the main physical facts. The processes can be separated into two groups: optical collisions where only one atom is changing state during the collision, the other acting as a spectator atom, and radiative collisions where the states of the two atoms are changing during the collision. All the processes can be interpreted in terms of photoexcitation of the quasimolecule formed during the collisional process. (author)

  15. Nuclear and atomic physics at one gigaflop

    International Nuclear Information System (INIS)

    Bottcher, C.; Strayer, J.B.

    1989-01-01

    A three-day workshop on problems in atomic and nuclear physics which depend on and are, at present, severely limited by access to supercomputing at effective rates of one gigaflop or more, was held at Oak Ridge, Tennessee, April 14-16, 1988. The participants comprised researchers from universities, industries and laboratories in the United States and Europe. In this volume are presented talks from that meeting on atomic and nuclear physics topics and on modern parallel processing concepts and hardware. The physics topics included strong fields in atomic and nuclear physics, the role of quarks in nuclear physics, the nuclear few-body problem, relativistic descriptions of heavy-ion collisions, nuclear hydrodynamics, Monte Carlo techniques for many-body problems, precision calculation of atomic QED effects, classical simulation of atomic processes, atomic structure, atomic many-body perturbation theory, quantal studies of small and large molecular systems, and multi-photon atomic and molecular problems

  16. PubChem atom environments.

    Science.gov (United States)

    Hähnke, Volker D; Bolton, Evan E; Bryant, Stephen H

    2015-01-01

    Atom environments and fragments find wide-spread use in chemical information and cheminformatics. They are the basis of prediction models, an integral part in similarity searching, and employed in structure search techniques. Most of these methods were developed and evaluated on the relatively small sets of chemical structures available at the time. An analysis of fragment distributions representative of most known chemical structures was published in the 1970s using the Chemical Abstracts Service data system. More recently, advances in automated synthesis of chemicals allow millions of chemicals to be synthesized by a single organization. In addition, open chemical databases are readily available containing tens of millions of chemical structures from a multitude of data sources, including chemical vendors, patents, and the scientific literature, making it possible for scientists to readily access most known chemical structures. With this availability of information, one can now address interesting questions, such as: what chemical fragments are known today? How do these fragments compare to earlier studies? How unique are chemical fragments found in chemical structures? For our analysis, after hydrogen suppression, atoms were characterized by atomic number, formal charge, implicit hydrogen count, explicit degree (number of neighbors), valence (bond order sum), and aromaticity. Bonds were differentiated as single, double, triple or aromatic bonds. Atom environments were created in a circular manner focused on a central atom with radii from 0 (atom types) up to 3 (representative of ECFP_6 fragments). In total, combining atom types and atom environments that include up to three spheres of nearest neighbors, our investigation identified 28,462,319 unique fragments in the 46 million structures found in the PubChem Compound database as of January 2013. We could identify several factors inflating the number of environments involving transition metals, with many

  17. Location of hydrogen atoms in hydronium jarosite

    Science.gov (United States)

    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.

  18. On the pulmonary toxicity of oxygen. 5. Electronic structure and the paramagnetic property of oxygen.

    Science.gov (United States)

    Shanklin, D Radford

    2012-12-01

    Oxygen uptake by the pulmonary circulation is a chemical reaction. The physicochemical attributes of oxygen are critical when studying pulmonary oxygen toxicity. Extent of lung injury depends on the percentage of oxygen in an oxygen-nitrogen mix in polybaric circumstances (Shanklin, 1969). Further change in extent of lesion follows when other gases are used in the inhalant mix instead of nitrogen (Shanklin and Lester, 1972), with oxygen at 21-100% of the mix. Comparative subatmospheric oxygen levels down to 3% in hydrogen, helium, nitrogen, argon, or sulfur hexafluoride, were run with and without ventilatory distress by the Farber (1937) model, bilateral cervical vagotomy (BCV). This yielded coherent results indicating a need to consider molecular characteristics at the atomic level. Molecular mass and size, gas viscosity, and thermal conductivity yielded no obvious correlates to lung injury. Saturation of the outer electron shells of the diluents fit the empiric data, prospectively an interaction between oxygen and nitrogen from their electronegativity and closely approximate molecular mass, size, and shape. The lesion is essentially eliminated at 7% oxygen in nitrogen. At 3% oxygen, the least lesion is found with N(2), H(2), and SF(6), all gases with incomplete outer electron shells, allowing for transient, possibly polarized, covalent bonding with oxygen as the significant minority component in the mix. Argon and helium do not interfere with oxygen. With 3% oxygen in argon without BCV, the experiments ran so long (>70hours) they were terminated once the point had been made. 3% oxygen in argon after BCV yielded a mean survival more than twice that of BCV in air, indicating a remarkable degree of nitrogen interference with oxygen in the respiratory medium of terrestrial animal life. Argon displayed other advantages for the lung compared to nitrogen. Hydrogen, nitrogen, and oxygen are diatomic molecules, a feature which does relate to the extent of lung injury, but

  19. Effect of temperature on the corrosion inhibition of iron in liquid lead using oxygen inhibitor: studied by MD simulation

    Science.gov (United States)

    Arkundato, Artoto; Monado, Fiber; Su'ud, Zaki

    2017-05-01

    For corrosion mitigation of steels used in a fast nuclear reactor power plant, oxygen gas is one of promising candidates of inhibitors. Many experiments have been conducted to reveal the mechanism of corrosion and mechanism of how to overcome the corrosion. In the previous work, we had shown computationally that the oxygen atom can be used to reduce the corrosion and we had predicted the oxygen contents. In the current work, not only to explore deeeper the ability of oxygen gas to reduce the corrosion, but also to include the variation of used temperature. We still used iron material to represent a real steels. Using MD (molecular dynamics) simulation based on the Lennard-Jones interaction potential, we sought to understand the concentration of oxygen gas as variation of temperature used in the reactor for the best corrosion mitigation. From this work, we conclude that the temperature does not give effect in related with how concentration of injected oxygen. The temparature merely affects to rise the diffusion coefficient of iron in liquid lead, yet it does not influence how much oxygen needed for corrosion mitigation. In this work, all simulations on different series of temperatures (1023°K, 1073°K, 1123°K, 1173°K) reveals that oxygen content of 0.1151wt% will cause the lowest corrosion level of iron in liquid lead.

  20. Oxygen treatment of cluster headache

    DEFF Research Database (Denmark)

    Petersen, Anja S; Barloese, Mads C J; Jensen, Rigmor H

    2014-01-01

    PURPOSE: Our aim was to review the existing literature to document oxygen's therapeutic effect on cluster headache. METHOD: A PubMed search resulted in 28 hits, and from these and their references we found in total 11 relevant studies. We included six studies that investigated the efficacy......, but not a prophylactic effect. Despite the fact that only a few high-quality RCT studies are available, oxygen treatment is close to an ideal treatment because it is effective and safe. However, sufferers of cluster headache do not always have access to oxygen because of logistic and financial concerns....

  1. Transition from LEDCOP to ATOMIC

    International Nuclear Information System (INIS)

    Magee, N.H.; Abdallah, J.; Colgan, J.; Hakel, P.; Kilcrease, D.P.; Mazevet, S.; Sherrill, M.E.; Fontes, C.J.; Zhang, H.

    2004-01-01

    This paper discusses the development of the ATOMIC code, a new low to mid Z opacity code, which will replace the current Los Alamos low Z opacity code LEDCOP. The ATOMIC code is based on the FINE code, long used by the Los Alamos group for spectral comparisons in local thermodynamic equilibrium (LTE) and for non-LTE calculations, both utilizing the extensive databases from the atomic physics suite of codes based on the work of R.D. Cowan. Many of the plasma physics packages in LEDCOP, such as line broadening and free-free absorption, are being transferred to the new ATOMIC code. A new equation of state (EOS) model is being developed to allow higher density calculations than were possible with either the FINE or LEDCOP codes. Extensive modernization for both ATOMIC and the atomic physics code suites, including conversion to Fortran 90 and parallelization, are underway to speed up the calculations and to allow the use of expanded databases for both the LTE opacity tables and the non-LTE calculations. Future plans for the code will be outlined, including considerations for new generation opacity tables.

  2. Neutral atom traps.

    Energy Technology Data Exchange (ETDEWEB)

    Pack, Michael Vern

    2008-12-01

    This report describes progress in designing a neutral atom trap capable of trapping sub millikelvin atom in a magnetic trap and shuttling the atoms across the atom chip from a collection area to an optical cavity. The numerical simulation and atom chip design are discussed. Also, discussed are preliminary calculations of quantum noise sources in Kerr nonlinear optics measurements based on electromagnetically induced transparency. These types of measurements may be important for quantum nondemolition measurements at the few photon limit.

  3. Three-atom clusters

    International Nuclear Information System (INIS)

    Pen'kov, F.M.

    1998-01-01

    The Born-Oppenheimer approximation is used to obtain an equation for the effective interaction in three atoms bound by a single electron. For low binding energies in an 'electron + atom' pair, long-range forces arise between the atoms, leading to bound states when the size of the three-atom cluster is a few tens of angstrom. A system made of alkali-metal atoms is considered as an example

  4. Stable atomic hydrogen: Polarized atomic beam source

    International Nuclear Information System (INIS)

    Niinikoski, T.O.; Penttilae, S.; Rieubland, J.M.; Rijllart, A.

    1984-01-01

    We have carried out experiments with stable atomic hydrogen with a view to possible applications in polarized targets or polarized atomic beam sources. Recent results from the stabilization apparatus are described. The first stable atomic hydrogen beam source based on the microwave extraction method (which is being tested ) is presented. The effect of the stabilized hydrogen gas density on the properties of the source is discussed. (orig.)

  5. High data-rate atom interferometers through high recapture efficiency

    Science.gov (United States)

    Biedermann, Grant; Rakholia, Akash Vrijal; McGuinness, Hayden

    2015-01-27

    An inertial sensing system includes a magneto-optical trap (MOT) that traps atoms within a specified trapping region. The system also includes a cooling laser that cools the trapped atoms so that the atoms remain within the specified region for a specified amount of time. The system further includes a light-pulse atom interferometer (LPAI) that performs an interferometric interrogation of the atoms to determine phase changes in the atoms. The system includes a controller that controls the timing of MOT and cooling laser operations, and controls the timing of interferometric operations to substantially recapture the atoms in the specified trapping region. The system includes a processor that determines the amount inertial movement of the inertial sensing system based on the determined phase changes in the atoms. Also, a method of inertial sensing using this inertial sensing system includes recapture of atoms within the MOT following interferometric interrogation by the LPAI.

  6. Highly Dense Isolated Metal Atom Catalytic Sites

    DEFF Research Database (Denmark)

    Chen, Yaxin; Kasama, Takeshi; Huang, Zhiwei

    2015-01-01

    -ray diffraction. A combination of electron microscopy images with X-ray absorption spectra demonstrated that the silver atoms were anchored on five-fold oxygen-terminated cavities on the surface of the support to form highly dense isolated metal active sites, leading to excellent reactivity in catalytic oxidation......Atomically dispersed noble-metal catalysts with highly dense active sites are promising materials with which to maximise metal efficiency and to enhance catalytic performance; however, their fabrication remains challenging because metal atoms are prone to sintering, especially at a high metal...... loading. A dynamic process of formation of isolated metal atom catalytic sites on the surface of the support, which was achieved starting from silver nanoparticles by using a thermal surface-mediated diffusion method, was observed directly by using in situ electron microscopy and in situ synchrotron X...

  7. Atomic data for fusion

    International Nuclear Information System (INIS)

    Hunter, H.T.; Kirkpatrick, M.I.; Alvarez, I.; Cisneros, C.; Phaneuf, R.A.; Barnett, C.F.

    1990-07-01

    This report provides a handbook of recommended cross-section and rate-coefficient data for inelastic collisions between hydrogen, helium and lithium atoms, molecules and ions, and encompasses more than 400 different reactions of primary interest in fusion research. Published experimental and theoretical data have been collected and evaluated, and the recommended data are presented in tabular, graphical and parametrized form. Processes include excitation and spectral line emission, charge exchange, ionization, stripping, dissociation and particle interchange reactions. The range of collision energies is appropriate to applications in fusion-energy research

  8. Atomic data for fusion

    Energy Technology Data Exchange (ETDEWEB)

    Hunter, H.T.; Kirkpatrick, M.I.; Alvarez, I.; Cisneros, C.; Phaneuf, R.A. (eds.); Barnett, C.F.

    1990-07-01

    This report provides a handbook of recommended cross-section and rate-coefficient data for inelastic collisions between hydrogen, helium and lithium atoms, molecules and ions, and encompasses more than 400 different reactions of primary interest in fusion research. Published experimental and theoretical data have been collected and evaluated, and the recommended data are presented in tabular, graphical and parametrized form. Processes include excitation and spectral line emission, charge exchange, ionization, stripping, dissociation and particle interchange reactions. The range of collision energies is appropriate to applications in fusion-energy research.

  9. Oxygen negative glow: reactive species and emissivity

    International Nuclear Information System (INIS)

    Sahli, Khaled

    1991-01-01

    This research thesis addresses the study of a specific type of oxygen plasma created by electron beams (1 keV, 20 mA/cm 2 ), negative glow of a luminescent discharge in abnormal regime. The objective is to test the qualities of this plasma as source of two 'active' species of oxygen (singlet molecular oxygen and atomic oxygen) which are useful in applications. The experiment mainly bears on the use of VUV (120 to 150 nm) absorption spectroscopy measurements of concentrations of these both species, and on the recording of plasma emissivity space profiles in the visible region (450 to 850 nm). It appears that low concentrations of singlet oxygen definitely exclude this type of discharge for iodine laser applications. On the contrary, concentrations measured for atomic oxygen show it is a good candidate for the oxidation of large surfaces by sheets of beams. The satisfying comparison of emissivity results with a published model confirm the prevailing role of fast electrons, and gives evidence of an important effect of temperature: temperature can reach 1000 K, and this is in agreement with the presented measurement [fr

  10. Atomic and molecular manipulation

    CERN Document Server

    Mayne, Andrew J

    2011-01-01

    Work with individual atoms and molecules aims to demonstrate that miniaturized electronic, optical, magnetic, and mechanical devices can operate ultimately even at the level of a single atom or molecule. As such, atomic and molecular manipulation has played an emblematic role in the development of the field of nanoscience. New methods based on the use of the scanning tunnelling microscope (STM) have been developed to characterize and manipulate all the degrees of freedom of individual atoms and molecules with an unprecedented precision. In the meantime, new concepts have emerged to design molecules and substrates having specific optical, mechanical and electronic functions, thus opening the way to the fabrication of real nano-machines. Manipulation of individual atoms and molecules has also opened up completely new areas of research and knowledge, raising fundamental questions of "Optics at the atomic scale", "Mechanics at the atomic scale", Electronics at the atomic scale", "Quantum physics at the atomic sca...

  11. Microfabricated Waveguide Atom Traps.

    Energy Technology Data Exchange (ETDEWEB)

    Jau, Yuan-Yu [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-09-01

    A nanoscale , microfabricated waveguide structure can in - principle be used to trap atoms in well - defined locations and enable strong photon-atom interactions . A neutral - atom platform based on this microfabrication technology will be prealigned , which is especially important for quantum - control applications. At present, there is still no reported demonstration of evanescent - field atom trapping using a microfabricated waveguide structure. We described the capabilities established by our team for future development of the waveguide atom - trapping technology at SNL and report our studies to overcome the technical challenges of loading cold atoms into the waveguide atom traps, efficient and broadband optical coupling to a waveguide, and the waveguide material for high - power optical transmission. From the atomic - physics and the waveguide modeling, w e have shown that a square nano-waveguide can be utilized t o achieve better atomic spin squeezing than using a nanofiber for first time.

  12. Push-Pull Laser-Atomic Oscillator

    International Nuclear Information System (INIS)

    Jau, Y.-Y.; Happer, W.

    2007-01-01

    A vapor of alkali-metal atoms in the external cavity of a semiconductor laser, pumped with a time-independent injection current, can cause the laser to self-modulate at the 'field-independent 0-0 frequency' of the atoms. Push-pull optical pumping by the modulated light drives most of the atoms into a coherent superposition of the two atomic sublevels with an azimuthal quantum number m=0. The atoms modulate the optical loss of the cavity at the sharply defined 0-0 hyperfine frequency. As in a maser, the system is not driven by an external source of microwaves, but a very stable microwave signal can be recovered from the modulated light or from the modulated voltage drop across the laser diode. Potential applications for this new phenomenon include atomic clocks, the production of long-lived coherent atomic states, and the generation of coherent optical combs

  13. Bose-Einstein condensation of atomic gases

    International Nuclear Information System (INIS)

    Anglin, J. R.; Ketterle, W.

    2003-01-01

    The early experiments on Bose-Einstein condensation in dilute atomic gases accomplished three longstanding goals. First, cooling of neutral atoms into their motional state, thus subjecting them to ultimate control, limited only by Heisenberg uncertainty relation. Second, creation of a coherent sample of atoms, in which all occupy the same quantum states, and the realization of atom lasers - devices that output coherent matter waves. And third, creation of gaseous quantum fluid, with properties that are different from the quantum liquids helium-3 and helium-4. The field of Bose-Einstein condensation of atomic gases has continued to progress rapidly, driven by the combination of new experimental techniques and theoretical advances. The family of quantum degenerate gases has grown, and now includes metastable and fermionic atoms. condensates have become an ultralow-temperature laboratory for atom optics, collisional physics and many-body physics, encompassing phonons, superfluidity, quantized vortices, Josephson junctions and quantum phase transitions. (author)

  14. Mechanistic Analysis of Oxygen Vacancy-Driven Conductive Filament Formation in Resistive Random Access Memory Metal/NiO/Metal Structures.

    Science.gov (United States)

    Yildirim, Handan; Pachter, Ruth

    2018-03-13

    Electrically switchable resistive random access memories have drawn much interest as nonvolatile memory device candidates based on metal-insulator-metal (MIM) structure concepts. However, atomic level mechanisms that lead to conductive filament (CF) formation in MIM structures are often lacking, such as for the system with NiO as the oxide layer, which was found promising for resistive random access memory (RRAM) device applications. In this work, using density functional theory with a Hubbard-type on-site Coulomb correction, which we carefully benchmarked, we analyzed the intrinsic propensity toward CF formation in NiO upon introduction of oxygen vacancies, including interfacial effects of Ag or Pt electrodes. First, for stoichiometric MIM structural models, contributions from metal-induced gap states to the electronic density of states (DOS) were identified, accommodating oxygen vacancy states and showing that the interface region is reduced more easily than the bulklike region, for example, for the Ag/NiO/Ag structure. Moreover, a tendency toward oxygen vacancy clustering was demonstrated, important for CF formation. Indeed, by introducing ordered oxygen vacancies into the oxide layer for both MIM models, several extended defect states within the forbidden gap have resulted, which lead to defect-assisted transport. These were shown to be influenced by the spatial distribution and number of oxygen vacancies in the filament, where the degree of reduction of Ni atoms changes based on the immediate surroundings. Projected electronic DOS for individual Ni atoms in regions near and away from oxygen vacancies indicated that those Ni close to oxygen vacancies contribute most to the conductivity. Interestingly, based on charge analyses, these atoms are revealed to undergo significant reduction, generating a locally conductive region in the oxide layer that consists of metallic/near-metallic Ni (Ni 0 ), formed through local reduction.

  15. Radiation chemistry of alternative fuel oxygenates - substituted ethers

    International Nuclear Information System (INIS)

    Mezyk, S. P.; Cooper, W. J.; Bartels, D. M.; Tobien, T.; O'Shea, K. E.

    1999-01-01

    The electron beam process, an advanced oxidation and reduction technology, is based in the field of radiation chemistry. Fundamental to the development of treatment processes is an understanding of the underlying chemistry. The authors have previously evaluated the bimolecular rate constants for the reactions of methyl tert-butyl ether (MTBE) and with this study have extended their studies to include ethyl tert-butyl ether (ETBE), di-isopropyl ether (DIPE) and tert-amyl methyl ether (TAME) with the hydroxyl radical, hydrogen atom and solvated electron using pulse radiolysis. For all of the oxygenates the reaction with the hydroxyl radical appears to be of primary interest in the destruction of the compounds in water. The rates with the solvated electron are limiting values as the rates appear to be relatively low. The hydrogen atom rate constants are relatively low, coupled with the low yield in radiolysis, they concluded that these are of little significance in the destruction of the alternative fuel oxygenates (and MTBE)

  16. Stability of gas atomized reactive powders through multiple step in-situ passivation

    Science.gov (United States)

    Anderson, Iver E.; Steinmetz, Andrew D.; Byrd, David J.

    2017-05-16

    A method for gas atomization of oxygen-reactive reactive metals and alloys wherein the atomized particles are exposed as they solidify and cool in a very short time to multiple gaseous reactive agents for the in-situ formation of a protective reaction film on the atomized particles. The present invention is especially useful for making highly pyrophoric reactive metal or alloy atomized powders, such as atomized magnesium and magnesium alloy powders. The gaseous reactive species (agents) are introduced into the atomization spray chamber at locations downstream of a gas atomizing nozzle as determined by the desired powder or particle temperature for the reactions and the desired thickness of the reaction film.

  17. Atomic Fuel, Understanding the Atom Series. Revised.

    Science.gov (United States)

    Hogerton, John F.

    This publication is part of the "Understanding the Atom" series. Complete sets of the series are available free to teachers, schools, and public librarians who can make them available for reference or use by groups. Among the topics discussed are: What Atomic Fuel Is; The Odyssey of Uranium; Production of Uranium; Fabrication of Reactor…

  18. Atomic Fisher information versus atomic number

    International Nuclear Information System (INIS)

    Nagy, A.; Sen, K.D.

    2006-01-01

    It is shown that the Thomas-Fermi Fisher information is negative. A slightly more sophisticated model proposed by Gaspar provides a qualitatively correct expression for the Fisher information: Gaspar's Fisher information is proportional to the two-third power of the atomic number. Accurate numerical calculations show an almost linear dependence on the atomic number

  19. Applied atomic collision physics. Vol. 2

    International Nuclear Information System (INIS)

    Barnett, C.F.; Harrison, M.F.A.

    1984-01-01

    This volume brings together papers on atomic processes that have been important in fusion research during the past 30 years. Topics include: Atomic radiation from low density plasma; Properties of magnetically confined plasmas in tokomaks; Diagnostics and; Heating by energetic particles. Each chapter includes references

  20. Atomic-fluorescence spectrophotometry

    International Nuclear Information System (INIS)

    Bakhturova, N.F.; Yudelevich, I.G.

    1975-01-01

    Atomic-fluorescence spectrophotometry, a comparatively new method for the analysis of trace quantities, has developed rapidly in the past ten years. Theoretical and experimental studies by many workers have shown that atomic-fluorescence spectrophotometry (AFS) is capable of achieving a better limit than atomic absorption for a large number of elements. The present review examines briefly the principles of atomic-fluorescence spectrophotometry and the types of fluorescent transition. The excitation sources, flame and nonflame atomizers, used in AFS are described. The limits of detection achieved up to the present, using flame and nonflame methods of atomization are given

  1. PHYSICS: Toward Atom Chips.

    Science.gov (United States)

    Fortágh, József; Zimmermann, Claus

    2005-02-11

    As a novel approach for turning the peculiar features of quantum mechanics into practical devices, researchers are investigating the use of ultracold atomic clouds above microchips. Such "atom chips" may find use as sensitive probes for gravity, acceleration, rotation, and tiny magnetic forces. In their Perspective, Fortagh and Zimmermann discuss recent advances toward creating atom chips, in which current-carrying conductors in the chips create magnetic microtraps that confine the atomic clouds. Despite some intrinsic limits to the performance of atom chips, existing technologies are capable of producing atom chips, and many possibilities for their construction remain to be explored.

  2. THE ORNL ATOM PROBE

    OpenAIRE

    Miller, M.

    1986-01-01

    The ORNL Atom Probe is a microanalytical tool for studies in materials science. The instrument is a combination of a customized version of the vacuum system of the VG FIM-100 atom probe, an ORNL-designed microcomputer-controlled digital timing system, and a double curved CEMA Imaging Atom Probe detector. The atom probe combines four instruments into one - namely a field ion microscope, an energy compensated time-of-flight mass spectrometer, an imaging atom probe, and a pulsed laser atom probe.

  3. Hot atom chemistry of sulphur

    International Nuclear Information System (INIS)

    Todorovski, D. S.; Koleva, D. P.

    1982-01-01

    An attempt to cover all papers dealing with the hot atom chemistry of sulpphur is made. Publications which: a) only touch the problem, b) contain some data, indirectly connected with sulphur hot atom chemistry, c) deal with 35 S-production from a chloride matrix, are included as well. The author's name and literature source are given in the original language, transcribed, when it is necessary, in latine. A number of primery and secondary documents have been used including Chemical Abstracts, INIS Atomindex, the bibliographies of A. Siuda and J.-P. Adloff for 1973 - 77, etc. (authors)

  4. A Single Atom Antenna

    International Nuclear Information System (INIS)

    Trinter, Florian; Williams, Joshua B; Weller, Miriam; Waitz, Markus; Pitzer, Martin; Voigtsberger, Jörg; Schober, Carl; Kastirke, Gregor; Müller, Christian; Goihl, Christoph; Burzynski, Phillip; Wiegandt, Florian; Wallauer, Robert; Kalinin, Anton; Schmidt, Lothar Ph H; Schöffler, Markus S; Jahnke, Till; Dörner, Reinhard; Chiang, Ying-Chih; Gokhberg, Kirill

    2015-01-01

    Here we demonstrate the smallest possible implementation of an antenna-receiver complex which consists of a single (helium) atom acting as the antenna and a second (neon) atom acting as a receiver. (paper)

  5. Deep Space Atomic Clock

    Data.gov (United States)

    National Aeronautics and Space Administration — The Deep Space Atomic Clock (DSAC) project will develop a small, low mass atomic clock based on mercury-ion trap technology and demonstrate it in space providing the...

  6. Oxygen discharge and post-discharge kinetics experiments and modeling for the electric oxygen-iodine laser system.

    Science.gov (United States)

    Palla, A D; Zimmerman, J W; Woodard, B S; Carroll, D L; Verdeyen, J T; Lim, T C; Solomon, W C

    2007-07-26

    Laser oscillation at 1315 nm on the I(2P1/2)-->I(2P3/2) transition of atomic iodine has been obtained by a near resonant energy transfer from O2(a1Delta) produced using a low-pressure oxygen/helium/nitric oxide discharge. In the electric discharge oxygen-iodine laser (ElectricOIL) the discharge production of atomic oxygen, ozone, and other excited species adds levels of complexity to the singlet oxygen generator (SOG) kinetics which are not encountered in a classic purely chemical O2(a1Delta) generation system. The advanced model BLAZE-IV has been introduced to study the energy-transfer laser system dynamics and kinetics. Levels of singlet oxygen, oxygen atoms, and ozone are measured experimentally and compared with calculations. The new BLAZE-IV model is in reasonable agreement with O3, O atom, and gas temperature measurements but is under-predicting the increase in O2(a1Delta) concentration resulting from the presence of NO in the discharge and under-predicting the O2(b1Sigma) concentrations. A key conclusion is that the removal of oxygen atoms by NOX species leads to a significant increase in O2(a1Delta) concentrations downstream of the discharge in part via a recycling process; however, there are still some important processes related to the NOX discharge kinetics that are missing from the present modeling. Further, the removal of oxygen atoms dramatically inhibits the production of ozone in the downstream kinetics.

  7. Navigation with Atom Interferometers

    Science.gov (United States)

    2017-03-20

    Navigation with Atom Interferometers Mary F. Locke and Frank A. Narducci Avionics Department Naval Air Systems Command Patuxent River, Md...20670 Abstract: In this article, we review the basic physics of an atom interferometer. We highlight the usefulness of atom interferometers for...inertial navigation due to their high phase sensitivity to both linear acceleration and angular rotation, but also the drawback that a single atom

  8. Variable oxygen/nitrogen enriched intake air system for internal combustion engine applications

    Science.gov (United States)

    Poola, Ramesh B.; Sekar, Ramanujam R.; Cole, Roger L.

    1997-01-01

    An air supply control system for selectively supplying ambient air, oxygen enriched air and nitrogen enriched air to an intake of an internal combustion engine includes an air mixing chamber that is in fluid communication with the air intake. At least a portion of the ambient air flowing to the mixing chamber is selectively diverted through a secondary path that includes a selectively permeable air separating membrane device due a differential pressure established across the air separating membrane. The permeable membrane device separates a portion of the nitrogen in the ambient air so that oxygen enriched air (permeate) and nitrogen enriched air (retentate) are produced. The oxygen enriched air and the nitrogen enriched air can be selectively supplied to the mixing chamber or expelled to atmosphere. Alternatively, a portion of the nitrogen enriched air can be supplied through another control valve to a monatomic-nitrogen plasma generator device so that atomic nitrogen produced from the nitrogen enriched air can be then injected into the exhaust of the engine. The oxygen enriched air or the nitrogen enriched air becomes mixed with the ambient air in the mixing chamber and then the mixed air is supplied to the intake of the engine. As a result, the air being supplied to the intake of the engine can be regulated with respect to the concentration of oxygen and/or nitrogen.

  9. Atomic Ferris wheel beams

    OpenAIRE

    Lembessis, Vasileios E.

    2017-01-01

    We study the generation of atom vortex beams in the case where an atomic wave-packet, moving in free space, is diffracted from a properly tailored light mask with a spiral transverse profile. We show how such a diffraction scheme could lead to the production of an atomic Ferris wheel beam.

  10. Atomic Energy Control Act

    International Nuclear Information System (INIS)

    1970-01-01

    This act provides for the establishment of the Atomic Energy Control Board. The board is responsible for the control and supervision of the development, application and use of atomic energy. The board is also considered necessary to enable Canada to participate effectively in measures of international control of atomic energy

  11. Atomic Spectra Database (ASD)

    Science.gov (United States)

    SRD 78 NIST Atomic Spectra Database (ASD) (Web, free access)   This database provides access and search capability for NIST critically evaluated data on atomic energy levels, wavelengths, and transition probabilities that are reasonably up-to-date. The NIST Atomic Spectroscopy Data Center has carried out these critical compilations.

  12. Efficiency of oxygen delivery through different oxygen entrainment devices during sedation under low oxygen flow rate: a bench study.

    Science.gov (United States)

    Hsu, Wei-Chih; Orr, Joe; Lin, Shih-Pin; Yu, Lu; Tsou, Mei-Yung; Westenskow, Dwayne R; Ting, Chien-Kun

    2017-05-02

    Sedative anesthetic procedures outside the operating room may depend on cylinders as oxygen source. Cylinders have limited storage capacity and a low oxygen flow rate improves the durability. We conducted the bench study to evaluate the fraction of inspired oxygen (FiO 2 ) in different oxygen entrainment devices under low oxygen flow rate. The purpose of the bench study was to provide information to choose appropriate oxygen entrainment devices in non-operating room sedative anesthetic procedures. We utilized a manikin head-test lung-ventilator model and evaluated eight oxygen entrainment devices, including four nasal cannulas, two oral bite blocks, and two masks. Two different minute volumes that defined as the normal ventilation and the hypoventilation group were evaluated. Three pneuflow resistors were placed in turn in the mouth represented ratio of the nasal/oral breathing. Each condition was sampled 70 times after a 3 min ventilation period. Most devices had few drop in FiO 2 according to the increased oral breathing ratio in normal ventilation. Most devices had obvious drop in FiO 2 related to the increased oral breathing ratio in hypoventilation. Oxygen reservoir units had little effect for accumulating oxygen in normal ventilation. In the hypoventilation group, oxygen reservoir units helped oxygen retention in local area and maintained a higher oxygen concentration. There were multiple factors lead to different oxygen fraction that we measured, such as different devices, respiratory patterns, and oxygen reservoir units. The result of our bench study provided some information for anesthesiologist to choose appropriate oxygen entrainment devices in various sedative anesthetic procedures.

  13. Incorporation of oxygen into abscisic acid and phaseic acid for molecular oxygen

    International Nuclear Information System (INIS)

    Creelman, R.A.; Zeevaart, J.A.D.

    1984-01-01

    Abscisic acid accumulates in detached, wilted leaves of Xanthium strumariu. When these leaves are subsequently rehydrated, phaseic acid, a catabolite of abscisic acid, accumulates. Analysis by gas chromatography-mass spectrometry of phaseic acid isolated from stressed and subsequently rehydrated leaves placed in an atmosphere containing 20% 18 O 2 and 80% N 2 indicates that one atom of 18 O is incorporated in the 6'-hydroxymethyl group of phaseic acid. This suggests that the enzyme that converts abscisic acid to phaseic acid is an oxygenase. Analysis by gas chromatography-mass spectrometry of abscisic acid isolated from stressed leaves kept in an atmosphere containing 18 O 2 indicates that one atom of 18 O is presented in the carboxyl group of abscisic acid. Thus, when abscisic acid accumulates in water-streesed leaves, only one of the four oxygens present in the abscisic acid molecule is derived from molecular oxygen. This suggest that either (a) the oxygen present in the 1'-, 4'-, and one of the two oxygens at the 1-position of abscisic acid arise from water, or (b) there exists a stored precursor with oxygen atoms already present in the 1'- and 4'-positions of abscisic acid which is converted to abscisic acid under conditions of water stress. 17 references, 2 figures, 1 tables

  14. Crossed-molecular-beams reactive scattering of oxygen atoms

    Energy Technology Data Exchange (ETDEWEB)

    Baseman, R.J.

    1982-11-01

    The reactions of O(/sup 3/P) with six prototypical unsaturated hydrocarbons, and the reaction of O(/sup 1/D) with HD, have been studied in high-resolution crossed-molecular-beams scattering experiments with mass-spectrometric detection. The observed laboratory-product angular and velocity distributions unambiguously identify parent-daughter ion pairs, distinguish different neutral sources of the same ion, and have been used to identify the primary products of the reactions. The derived center-of-mass product angular and translational energy distributions have been used to elucidate the detailed reaction dynamics. These results demonstrate that O(/sup 3/P)-unsaturated hydrocarbon chemistry is dominated by single bond cleavages, leading to radical products exclusively.

  15. Crossed-molecular-beams reactive scattering of oxygen atoms

    International Nuclear Information System (INIS)

    Baseman, R.J.

    1982-11-01

    The reactions of O( 3 P) with six prototypical unsaturated hydrocarbons, and the reaction of O( 1 D) with HD, have been studied in high-resolution crossed-molecular-beams scattering experiments with mass-spectrometric detection. The observed laboratory-product angular and velocity distributions unambiguously identify parent-daughter ion pairs, distinguish different neutral sources of the same ion, and have been used to identify the primary products of the reactions. The derived center-of-mass product angular and translational energy distributions have been used to elucidate the detailed reaction dynamics. These results demonstrate that O( 3 P)-unsaturated hydrocarbon chemistry is dominated by single bond cleavages, leading to radical products exclusively

  16. Mechanistic Study of Oxygen Atom Transfer Catalyzed by Rhenium Compounds

    Energy Technology Data Exchange (ETDEWEB)

    Shan, Xiaopeng [Iowa State Univ., Ames, IA (United States)

    2003-01-01

    Two ionic and one neutral methyl(oxo)rhenium(V) compounds were synthesized and structurally characterized. They were compared in reactivity towards the ligands triphenylphosphane, pyridines, pyridine N-oxides. Assistance from Broensted bases was found on ligand displacement of ionic rhenium compounds as well as nucleophile assistance on oxidation of all compounds. From the kinetic data, crystal structures, and an analysis of the intermediates, a structural formula of PicH+3- and mechanisms of ligand displacement and oxidation were proposed.

  17. Atom-atom collision cascades localization

    International Nuclear Information System (INIS)

    Kirsanov, V.V.

    1980-01-01

    The presence of an impurity and thermal vibration influence on the atom-atom collision cascade development is analysed by the computer simulation method (the modificated dynamic model). It is discovered that the relatively low energetic cascades are localized with the temperature increase of an irradiated crystal. On the basis of the given effect the mechanism of splitting of the high energetic cascades into subcascades is proposed. It accounts for two factors: the primary knocked atom energy and the irradiated crystal temperature. Introduction of an impurity also localizes the cascades independently from the impurity atom mass. The cascades localization leads to intensification of the process of annealing in the cascades and reduction of the post-cascade vacancy cluster sizes. (author)

  18. Mesonic atoms. Technical progress report

    International Nuclear Information System (INIS)

    Kunselman, R.

    1981-01-01

    Research on mesic atoms during 1981 is reported. This includes measurement of x-rays from pionic hydrogen and pionic deuterium; muonic K, L, and M x-ray spectra of mercury 199 and mercury 201; and pionic chromium 54, scandium 45, vanadium 51, manganese 55, and iron

  19. Atomic-Scale Principles of Combustion Nanocatalysis

    Science.gov (United States)

    2014-05-19

    Prescribed by ANSI Std. Z39.18 1 Atomic-Scale Factors Guiding the Design of Combustion Nanocatalysts: Structures, Electronic...Finland, October, 2011 Keynote Lecture, TNT-2011, Tenerife , Canary Islands, November, 2011. Invited Lecture, AFOSR Review of Catalytic Nanocombustion...if one wishes to create formaldehyde, and potentially methyl alcohol, one burns methane by tuning its reaction with oxygen to run at lower

  20. Solubility and thermodynamic properties of oxygen in solid molybdenum

    Science.gov (United States)

    Srivastava, S. C.; Seigle, L. L.

    1974-01-01

    A formula is obtained for the solubility of oxygen in solid Mo, determined in the range from 1400 to 1900 C by equilibrating rods of zone-refined Mo with mixtures of Mo and MoO2 powders. Using the known value of the free energy of formation of MoO2, a formula is obtained for the chemical potential of oxygen in the dilute solid solution. The heat of solution of oxygen in solid Mo and the excess entropy for the interstitial solid solution are also determined, assuming that the oxygen atoms reside in the octahedral interstices of bcc Mo.

  1. Pump apparatus including deconsolidator

    Energy Technology Data Exchange (ETDEWEB)

    Sonwane, Chandrashekhar; Saunders, Timothy; Fitzsimmons, Mark Andrew

    2014-10-07

    A pump apparatus includes a particulate pump that defines a passage that extends from an inlet to an outlet. A duct is in flow communication with the outlet. The duct includes a deconsolidator configured to fragment particle agglomerates received from the passage.

  2. Optical modulator including grapene

    Science.gov (United States)

    Liu, Ming; Yin, Xiaobo; Zhang, Xiang

    2016-06-07

    The present invention provides for a one or more layer graphene optical modulator. In a first exemplary embodiment the optical modulator includes an optical waveguide, a nanoscale oxide spacer adjacent to a working region of the waveguide, and a monolayer graphene sheet adjacent to the spacer. In a second exemplary embodiment, the optical modulator includes at least one pair of active media, where the pair includes an oxide spacer, a first monolayer graphene sheet adjacent to a first side of the spacer, and a second monolayer graphene sheet adjacent to a second side of the spacer, and at least one optical waveguide adjacent to the pair.

  3. Oxidization stability of atomically precise graphene nanoribbons

    Science.gov (United States)

    Ma, Chuanxu; Xiao, Zhongcan; Puretzky, Alex A.; Baddorf, Arthur P.; Lu, Wenchang; Hong, Kunlun; Bernholc, J.; Li, An-Ping

    2018-01-01

    The stability of graphene nanoribbons (GNRs) against oxidation is critical for their practical applications. Here we study both the thermal stability and the oxidation process of the ambient-exposed armchair GNRs with a width of seven carbon atoms (7-aGNR), grown on an Au(111) surface. The atomic scale evolution of the armchair edges and the zigzag ends of the aGNRs after annealing at different temperatures are revealed by using scanning tunneling microscopy, Raman spectroscopy, x-ray photoelectron spectroscopy, and first-principles calculations. We observe evidence that the zigzag ends start to be oxidized and decomposed at 180 °C, while the armchair edges are intact at 430 °C but become oxidized at 520 °C. Two different oxygen species are identified at the armchair edges, namely the hydroxyl pair and the epoxy bonding motif with one oxygen bonded to two edge carbons. These oxidization species modify the electronic properties of the pristine 7-aGNRs, with a band-gap reduction from 2.6 to 2.3 eV and 1.9 eV for the hydroxyl pair- and epoxy-terminated edges, respectively. These findings demonstrate the oxidation stability of both the zigzag and armchair edges of GNRs, and they provide an opportunity to harness the high density of edge atoms in applications such as GNR-based high-temperature oxygen sensors.

  4. Artificial Atoms: from Quantum Physics to Applications

    International Nuclear Information System (INIS)

    2014-01-01

    The primary objective of this workshop is to survey the most recent advances of technologies enabling single atom- and artificial atom-based devices. These include the assembly of artificial molecular structures with magnetic dipole and optical interactions between engineered atoms embedded in solid-state lattices. The ability to control single atoms in diamond or similar solids under ambient operating conditions opens new perspectives for technologies based on nanoelectronics and nanophotonics. The scope of the workshop is extended towards the physics of strong coupling between atoms and radiation field modes. Beyond the traditional atom-cavity systems, artificial dipoles coupled to microwave radiation in circuit quantum electrodynamics is considered. All these technologies mutually influence each other in developing novel devices for sensing at the quantum level and for quantum information processing.

  5. Manipulating Atoms with Light Achievements and Perspectives

    CERN Multimedia

    CERN. Geneva

    2006-01-01

    During the last few decades spectacular progress has been achieved in the control of atomic systems by light. It will be shown how it is possible to use the basic conservation laws in atom-photon interactions for polarizing atoms, for trapping them, for cooling them to extremely low temperatures, in the microkelvin, and even in the nanokelvin range. A review will be given of recent advances in this field and of new applications, including atomic clocks with very high relative stability and accuracy, atomic interferometers allowing precise measurement of rotation speeds and gravitational fields, the realization of new states of matter such as Bose-Einstein condensates, matter waves and atom lasers, ultracold molecules. New perspectives opened by these results will be also briefly discussed.

  6. Isolating and moving single atoms using silicon nanocrystals

    Science.gov (United States)

    Carroll, Malcolm S.

    2010-09-07

    A method is disclosed for isolating single atoms of an atomic species of interest by locating the atoms within silicon nanocrystals. This can be done by implanting, on the average, a single atom of the atomic species of interest into each nanocrystal, and then measuring an electrical charge distribution on the nanocrystals with scanning capacitance microscopy (SCM) or electrostatic force microscopy (EFM) to identify and select those nanocrystals having exactly one atom of the atomic species of interest therein. The nanocrystals with the single atom of the atomic species of interest therein can be sorted and moved using an atomic force microscope (AFM) tip. The method is useful for forming nanoscale electronic and optical devices including quantum computers and single-photon light sources.

  7. Kinetics of oxygen species in an electrically driven singlet oxygen generator

    International Nuclear Information System (INIS)

    Azyazov, V.N.; Torbin, A.P.; Pershin, A.A.; Mikheyev, P.A.; Heaven, M.C.

    2015-01-01

    Highlights: • Vibrational excitation of O 3 increases the rate constant for O 3 + O 2 (a) → 2O 2 (X) + O. • Vibrationally excited O 3 is produced by the O + O 2 (X) + M → O 3 + M reaction. • Ozone concentrations are impacted by the reactions of vibrationally excited O 3 . • Relevant to ozone concentrations in oxygen discharges and the upper atmosphere. - Abstract: The kinetics of oxygen species in the gaseous medium of a discharge singlet oxygen generator has been revisited. Vibrationally excited ozone O 3 (υ) formed in O + O 2 recombination is thought to be a significant agent in the deactivation of singlet oxygen O 2 (a 1 Δ), oxygen atom removal and ozone formation. It is shown that the process O 3 (υ ⩾ 2) + O 2 (a 1 Δ) → 2O 2 + O is the main O 2 (a 1 Δ) deactivation channel in the post-discharge zone. If no measures are taken to decrease the oxygen atom concentration, the contribution of this process to the overall O 2 (a 1 Δ) removal is significant, even in the discharge zone. A simplified model for the kinetics of vibrationally excited ozone is proposed. Calculations based on this model yield results that are in good agreement with the experimental data.

  8. Atomic Physics, Science (Experimental): 5318.42.

    Science.gov (United States)

    Petit, Ralph E.

    Presented is the study of modern and classical concepts of the atom; the structure of the atom as a mass-energy relationship; practical uses of radioactivity; isotopes; and the strange particles. Performance objectives (16) are included as well as a detailed course outline. Experiments, demonstrations, projects and reports to enhance student…

  9. Atoms in astronomy

    Science.gov (United States)

    Blanchard, P. A.

    1976-01-01

    Aspects of electromagnetic radiation and atomic physics needed for an understanding of astronomical applications are explored. Although intended primarily for teachers, this brochure is written so that it can be distributed to students if desired. The first section, Basic Topics, is suitable for a ninth-grade general science class; the style is simple and repetitive, and no mathematics or physics background is required. The second section, Intermediate and Advanced Topics, requires a knowledge of the material in the first section and assumes a generally higher level of achievement and motivation on the part of the student. These latter topics might fit well into junior-level physics, chemistry, or earth-science courses. Also included are a glossary, a list of references and teaching aids, class exercises, and a question and answer section.

  10. Oxygen transport membrane

    DEFF Research Database (Denmark)

    2015-01-01

    The present invention relates to a novel composite oxygen transport membrane as well as its preparation and uses thereof.......The present invention relates to a novel composite oxygen transport membrane as well as its preparation and uses thereof....

  11. Miniature oxygen resuscitator

    Science.gov (United States)

    Johnson, G.; Teegen, J. T.; Waddell, H.

    1969-01-01

    Miniature, portable resuscitation system is used during evacuation of patients to medical facilities. A carrying case contains a modified resuscitator head, cylinder of oxygen, two-stage oxygen regulator, low pressure tube, and a mask for mouth and nose.

  12. Cryptococcus neoformans and oxygen

    OpenAIRE

    Vladislav,Raclavsky

    2006-01-01

    Oxygen is essential to life of all organisms except for obligate anaerobic species, because it is necessary for energy generation and also for some biosynthetic pathways. However, sensitivity to low oxygen levels can vary widely in different organisms and cell types. The pathogenic yeast species Cryptococcus neoformans is known to love oxygen. In response to the lack of oxygen (hypoxia), this yeast delays budding without resigning DNA replication, which eventually results in unique cell cycle...

  13. [Domiciliary oxygen therapy].

    Science.gov (United States)

    Abdel Kafi, S

    2010-09-01

    In Belgium, oxygen therapy is becoming more and more accessible. When oxygen is needed for short periods or for special indications as palliative care, an agreement between mutual insurance companies and pharmacists allows the practitioner the home installation of gazeous oxygen cylinder or of oxygen concentrator. When long term oxygen therapy (LTOT) is indicated for patients with respiratory insufficiency, the pneumologist must first ask the INAMI the authorization to install one of the following modalities: oxygen concentrator with or without demand oxygen delivery cylinder and liquid oxygen. The goal of LTOT is to increase survival and quality of life. The principal and well accepted indication for LTOT is severe hypoxemia. The beneficial effects of oxygen therapy limited at night or on exertion are controversial. In order to increase patient's autonomy, oxygen can be prescribed for ambulation, respecting prescription's rules. At each step of oxygen therapy implementing (indication, choice of the device and follow-up) the patient under oxygen may benefit from a joint approach between the general practitioner and the chest specialist.

  14. Oxygen sensitive microwells.

    Science.gov (United States)

    Sinkala, Elly; Eddington, David T

    2010-12-07

    Oxygen tension is critical in a number of cell pathways but is often overlooked in cell culture. One reason for this is the difficulty in modulating and assessing oxygen tensions without disturbing the culture conditions. Toward this end, a simple method to generate oxygen-sensitive microwells was developed through embossing polystyrene (PS) and platinum(ii) octaethylporphyrin ketone (PtOEPK) thin films. In addition to monitoring the oxygen tension, microwells were employed in order to isolate uniform clusters of cells in microwells. The depth and width of the microwells can be adapted to different experimental parameters easily by altering the thin film processing or embossing stamp geometries. The thin oxygen sensitive microwell substrate is also compatible with high magnification modalities such as confocal imaging. The incorporation of the oxygen sensor into the microwells produces measurements of the oxygen tension near the cell surface. The oxygen sensitive microwells were calibrated and used to monitor oxygen tensions of Madin-Darby Canine Kidney Cells (MDCKs) cultured at high and low densities as a proof of concept. Wells 500 µm in diameter seeded with an average of 330 cells exhibited an oxygen level of 12.6% whereas wells seeded with an average of 20 cells per well exhibited an oxygen level of 19.5%, a 35.7% difference. This platform represents a new tool for culturing cells in microwells in a format amenable to high magnification imaging while monitoring the oxygen state of the culture media.

  15. Chemical Kinetics of Hydrogen Atom Abstraction from Allylic Sites by 3O2; Implications for Combustion Modeling and Simulation.

    Science.gov (United States)

    Zhou, Chong-Wen; Simmie, John M; Somers, Kieran P; Goldsmith, C Franklin; Curran, Henry J

    2017-03-09

    Hydrogen atom abstraction from allylic C-H bonds by molecular oxygen plays a very important role in determining the reactivity of fuel molecules having allylic hydrogen atoms. Rate constants for hydrogen atom abstraction by molecular oxygen from molecules with allylic sites have been calculated. A series of molecules with primary, secondary, tertiary, and super secondary allylic hydrogen atoms of alkene, furan, and alkylbenzene families are taken into consideration. Those molecules include propene, 2-butene, isobutene, 2-methylfuran, and toluene containing the primary allylic hydrogen atom; 1-butene, 1-pentene, 2-ethylfuran, ethylbenzene, and n-propylbenzene containing the secondary allylic hydrogen atom; 3-methyl-1-butene, 2-isopropylfuran, and isopropylbenzene containing tertiary allylic hydrogen atom; and 1-4-pentadiene containing super allylic secondary hydrogen atoms. The M06-2X/6-311++G(d,p) level of theory was used to optimize the geometries of all of the reactants, transition states, products and also the hinder rotation treatments for lower frequency modes. The G4 level of theory was used to calculate the electronic single point energies for those species to determine the 0 K barriers to reaction. Conventional transition state theory with Eckart tunnelling corrections was used to calculate the rate constants. The comparison between our calculated rate constants with the available experimental results from the literature shows good agreement for the reactions of propene and isobutene with molecular oxygen. The rate constant for toluene with O 2 is about an order magnitude slower than that experimentally derived from a comprehensive model proposed by Oehlschlaeger and coauthors. The results clearly indicate the need for a more detailed investigation of the combustion kinetics of toluene oxidation and its key pyrolysis and oxidation intermediates. Despite this, our computed barriers and rate constants retain an important internal consistency. Rate constants

  16. Strategy for designing stable and powerful nitrogen-rich high-energy materials by introducing boron atoms.

    Science.gov (United States)

    Wu, Wen-Jie; Chi, Wei-Jie; Li, Quan-Song; Li, Ze-Sheng

    2017-06-01

    One of the most important aims in the development of high-energy materials is to improve their stability and thus ensure that they are safe to manufacture and transport. In this work, we theoretically investigated open-chain N 4 B 2 isomers using density functional theory in order to find the best way of stabilizing nitrogen-rich molecules. The results show that the boron atoms in these isomers are aligned linearly with their neighboring atoms, which facilitates close packing in the crystals of these materials. Upon comparing the energies of nine N 4 B 2 isomers, we found that the structure with alternating N and B atoms had the lowest energy. Structures with more than one nitrogen atom between two boron atoms had higher energies. The energy of N 4 B 2 increases by about 50 kcal/mol each time it is rearranged to include an extra nitrogen atom between the two boron atoms. More importantly, our results also show that boron atoms stabilize nitrogen-rich molecules more efficiently than carbon atoms do. Also, the combustion of any isomer of N 4 B 2 releases more heat than the corresponding isomer of N 4 C 2 does under well-oxygenated conditions. Our study suggests that the three most stable N 4 B 2 isomers (BN13, BN24, and BN34) are good candidates for high-energy molecules, and it outlines a new strategy for designing stable boron-containing high-energy materials. Graphical abstract The structural characteristics, thermodynamic stabilities, and exothermic properties of nitrogen-rich N 4 B 2 isomers were investigated by means of density functional theory.

  17. Symposium on atomic spectroscopy (SAS-83): abstracts and program

    International Nuclear Information System (INIS)

    1983-09-01

    Abstracts of papers given at the symposium are presented. Session topics include: Rydbergs, optical radiators, and planetary atoms; highly ionized atoms; ultraviolet radiation; theory, ion traps, and laser cooling; beam foil; and astronomy

  18. Symposium on atomic spectroscopy (SAS-83): abstracts and program

    Energy Technology Data Exchange (ETDEWEB)

    1983-09-01

    Abstracts of papers given at the symposium are presented. Session topics include: Rydbergs, optical radiators, and planetary atoms; highly ionized atoms; ultraviolet radiation; theory, ion traps, and laser cooling; beam foil; and astronomy. (GHT)

  19. Atoms for peace and war, 1953-1961

    Energy Technology Data Exchange (ETDEWEB)

    Hewlett, R.G.; Holl, J.M.

    1989-01-01

    This paper reports on nuclear power for the marketplace, pursuit of the peaceful atom, safeguards, EORATOM, and the international agency. Nuclear issues include the presidential campaign of 1956, politics of the peaceful atom and a nuclear test moratorium.

  20. Atoms - molecules - nuclei. Vol. 1

    International Nuclear Information System (INIS)

    Otter, G.; Honecker, R.

    1993-01-01

    This first volume covers the following topics: Wave-particle dualism, classical atomic physics; the Schroedinger equation, angular momentum in quantum physics, one-electron atoms and many-electron atoms with atomic structure, atomic spectra, exotic atoms, influence of electric and magnetic fields

  1. Atomic collisions research with excited atomic species

    International Nuclear Information System (INIS)

    Hoogerland, M.D.; Gulley, R.J.; Colla, M.; Lu, W.; Milic, D.; Baldwin, K.G.H.; Buckman, S.J.

    1999-01-01

    Measurements and calculations of fundamental atomic collision and spectroscopic properties such as collision cross sections, reaction rates, transition probabilities etc. underpin the understanding and operation of many plasma and gas-discharge-based devices and phenomena, for example plasma processing and deposition. In almost all cases the complex series of reactions which sustains the discharge or plasma, or produces the reactive species of interest, has a precursor electron impact excitation, attachment, dissociation or ionisation event. These processes have been extensively studied in a wide range of atomic and molecular species and an impressive data base of collision cross sections and reaction rates now exists. However, most of these measurements are for collisions with stable atomic or molecular species which are initially in their ground electronic state. Relatively little information is available for scattering from excited states or for scattering from unstable molecular radicals. Examples of such species would be metastable excited rare gases, which are often used as buffer gases, or CF 2 radicals formed by electron impact dissociation in a CF 4 plasma processing discharge. We are interested in developing experimental techniques which will enable the quantitative study of such exotic atomic and molecular species. In this talk I would like to outline one such facility which is being used for studies of collisions with metastable He(2 3 S) atoms

  2. Atomic Power Safety

    Energy Technology Data Exchange (ETDEWEB)

    Hogerton, John F

    1964-01-01

    This booklet is condensed from a larger publication, -Background Information on Atomic Power Safety-, published in January 1964, by the .Atomic Industrial Forum. That publication and this abridgment were produced in recognition of the emergence of commercial atomic power as an important factor in our national economy, and of the resulting need for readily available information in nontechnical form on the characteristics of nuclear power plants and on the various measures taken during their design, construction, and operation for public safety.

  3. Atomic physics made clear

    International Nuclear Information System (INIS)

    Meinhold, H.

    1980-01-01

    This book is a popular introduction into the foundations of atomic physics und quantum mechanics. Starting from some phenomenological concepts Bohr's model and the construction of the periodic system regarding the shell structure of atoms are introduced. In this framework the selection rules and magnetic moments of atomic electrons are considered. Finally the wave-particle dualism is considered. In the appendix some mathematical methods are described which are useful for a deeper penetration into the considered ideas. (HSI)

  4. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J

    1997-01-01

    This series describes selected advances in the area of atomic spectroscopy. It is primarily intended for the reader who has a background in atmoic spectroscopy; suitable to the novice and expert. Although a widely used and accepted method for metal and non-metal analysis in a variety of complex samples, Advances in Atomic Spectroscopy covers a wide range of materials. Each Chapter will completely cover an area of atomic spectroscopy where rapid development has occurred.

  5. Single atom spintronics

    International Nuclear Information System (INIS)

    Sullivan, M. R.; Armstrong, J. N.; Hua, S. Z.; Chopra, H. D.

    2005-01-01

    Full text: Single atom spintronics (SASS) represents the ultimate physical limit in device miniaturization. SASS is characterized by ballistic electron transport, and is a fertile ground for exploring new phenomena. In addition to the 'stationary' (field independent) scattering centers that have a small and fixed contribution to total transmission probability of electron waves, domain walls constitute an additional and enhanced source of scattering in these magnetic quantum point contacts (QPCs), the latter being both field and spin-dependent. Through the measurement of complete hysteresis loops as a function of quantized conductance, we present definitive evidence of enhanced backscattering of electron waves by atomically sharp domain walls in QPCs formed between microfabricated thin films [1]. Since domain walls move in a magnetic field, the magnitude of spin-dependent scattering changes as the QPC is cycled along its hysteresis loop. For example, as shown in the inset in Fig. 1, from zero towards saturation in a given field direction, the resistance varies as the wall is being swept away, whereas the resistance is constant upon returning from saturation towards zero, since in this segment of the hysteresis loop no domain wall is present across the contact. The observed spin-valve like behavior is realized by control over wall width and shape anisotropy. This behavior also unmistakably sets itself apart from any mechanical artifacts; additionally, measurements made on single atom contacts provide an artifact-free environment [2]. Intuitively, it is simpler to organize the observed BMR data according to all possible transitions between different conductance plateaus, as shown by the dotted line in Fig. 1; the solid circles show experimental data for Co, which follows the predicted scheme. Requisite elements for the observation of the effect will be discussed in detail along with a review of state of research in this field. Practically, the challenge lies in making

  6. Oxygen chemistry of shocked interstellar clouds. III. Sulfur and oxygen species in dense clouds

    International Nuclear Information System (INIS)

    Leen, T.M.; Graff, M.M.

    1988-01-01

    The chemical evolution of oxygen and sulfur species in shocked dense clouds is studied. Reaction rate constants for several important neutral reactions are examined, and revised values are suggested. The one-fluid magnetohydrodynamic shock structure and postshock chemical evolution are calculated for shocks of velocity v(s) = 10 km/s through clouds of initial number density n(0) = 100,000/cu cm and of molecule/atom ratios H 2 /H = 10, 1000, and 100,000 with most sulfur contained initially in molecules SO 2 and SO. Abundances of SO 2 , SO, CS, and OCS remain near their preshock values, except in clouds containing substantial amounts of atomic hydrogen, where significant destruction of sulfur-oxygen species occurs. Abundances of shock-enhanced molecules HS and H 2 O are sensitive to the molecule/atom ratio. Nonthermal oxygen-hydrogen chemistry has a minor effect on oxygen-sulfur molecules in the case H 2 /H = 10. 23 references

  7. Atomic hydrogen reactor

    International Nuclear Information System (INIS)

    Massip de Turville, C.M.D.

    1982-01-01

    Methods are discussed of generating heat in an atomic hydrogen reactor which involve; the production of atomic hydrogen by an electrical discharge, the capture of nascent neutrons from atomic hydrogen in a number of surrounding steel alloy tubes having a high manganese content to produce 56 Mn, the irradiation of atomic hydrogen by the high energy antineutrinos from the beta decay of 56 Mn to yield nascent neutrons, and the removal of the heat generated by the capture of nascent neutrons by 55 Mn and the beta decay of 56 Mn. (U.K.)

  8. Atomic basis for therapeutic activation of neuronal potassium channels

    DEFF Research Database (Denmark)

    Kim, Robin Y; Yau, Michael C; Galpin, Jason D

    2015-01-01

    with fluorinated Trp analogues, with increased H-bonding propensity, strengthens retigabine potency. In addition, potency of numerous retigabine analogues correlates with the negative electrostatic surface potential of a carbonyl/carbamate oxygen atom present in most KCNQ activators. These findings functionally...... pinpoint an atomic-scale interaction essential for effects of retigabine and provide stringent constraints that may guide rational improvement of the emerging drug class of KCNQ channel activators....

  9. Oxygen-induced doping on reduced PEDOT.

    Science.gov (United States)

    Mitraka, E; Jafari, M J; Vagin, M; Liu, X; Fahlman, M; Ederth, T; Berggren, M; Jonsson, M P; Crispin, X

    2017-03-07

    The conducting polymer poly(3,4-ethylenedioxythiophene) (PEDOT) has shown promise as air electrode in renewable energy technologies like metal-air batteries and fuel cells. PEDOT is based on atomic elements of high abundance and is synthesized at low temperature from solution. The mechanism of oxygen reduction reaction (ORR) over chemically polymerized PEDOT:Cl still remains controversial with eventual role of transition metal impurities. However, regardless of the mechanistic route, we here demonstrate yet another key active role of PEDOT in the ORR mechanism. Our study demonstrates the decoupling of conductivity (intrinsic property) from electrocatalysis (as an extrinsic phenomenon) yielding the evidence of doping of the polymer by oxygen during ORR. Hence, the PEDOT electrode is electrochemically reduced (undoped) in the voltage range of ORR regime, but O 2 keeps it conducting; ensuring PEDOT to act as an electrode for the ORR. The interaction of oxygen with the polymer electrode is investigated with a battery of spectroscopic techniques.

  10. Progress on radioactive waste slurry incineration with oxygen and steam

    International Nuclear Information System (INIS)

    Hoshino, M.; Hayashi, M.; Oda, I.; Nonaka, N.; Kuwayama, K.; Shigeta, T.

    1988-01-01

    The radioactive waste (radwaste) slurry generated from the nuclear power plant operation, such as spent ion-exchange resins (powdered, bead), fire-retardant oils including phosphate ester and concentrated laundry (by the wet method) liquid waste, has been stored in an untreated condition on the plant site. Recently, since the Condensate Filter Demineralizer (CFD) has been applied in advanced BWR plants, the discharged volume of untreated spent powered resin slurry has been increasing steadily. TEE and NCE have been developing an effective new volume reduction system to treat this radwaste slurry based on an innovative incineration concept. The new system is called the IOS process, the feature of which is incineration with oxygen and steam admixture instead of conventional air. The IOS process, which consists mainly of high heat load incineration with slurry atomization, and combustion gas cooling and condensation by the wet method, has several advantages which are summarized in this paper

  11. Effect of oxygen on dislocation multiplication in silicon crystals

    Science.gov (United States)

    Fukushima, Wataru; Harada, Hirofumi; Miyamura, Yoshiji; Imai, Masato; Nakano, Satoshi; Kakimoto, Koichi

    2018-03-01

    This paper aims to clarify the effect of oxygen on dislocation multiplication in silicon single crystals grown by the Czochralski and floating zone methods using numerical analysis. The analysis is based on the Alexander-Haasen-Sumino model and involves oxygen diffusion from the bulk to the dislocation cores during the annealing process in a furnace. The results show that after the annealing process, the dislocation density in silicon single crystals decreases as a function of oxygen concentration. This decrease can be explained by considering the unlocking stress caused by interstitial oxygen atoms. When the oxygen concentration is 7.5 × 1017 cm-3, the total stress is about 2 MPa and the unlocking stress is less than 1 MPa. As the oxygen concentration increases, the unlocking stress also increases; however, the dislocation velocity decreases.

  12. Photoacoustic Imaging in Oxygen Detection

    Directory of Open Access Journals (Sweden)

    Fei Cao

    2017-12-01

    Full Text Available Oxygen level, including blood oxygen saturation (sO2 and tissue oxygen partial pressure (pO2, are crucial physiological parameters in life science. This paper reviews the importance of these two parameters and the detection methods for them, focusing on the application of photoacoustic imaging in this scenario. sO2 is traditionally detected with optical spectra-based methods, and has recently been proven uniquely efficient by using photoacoustic methods. pO2, on the other hand, is typically detected by PET, MRI, or pure optical approaches, yet with limited spatial resolution, imaging frame rate, or penetration depth. Great potential has also been demonstrated by employing photoacoustic imaging to overcome the existing limitations of the aforementioned techniques.

  13. Imaging of oxygen in microreactors and microfluidic systems

    Science.gov (United States)

    Sun, Shiwen; Ungerböck, Birgit; Mayr, Torsten

    2015-09-01

    This review gives an overview on the state-of-the-art of oxygen imaging in microfluidics. Oxygen imaging using optical oxygen sensors based on luminescence is a versatile and powerful tool for obtaining profoundly space-resolved information of oxygen in microreactors and microfluidic systems. We briefly introduce the principle of oxygen imaging and present techniques of oxygen imaging applied in microreactors and microfluidic devices, including selection criteria and demands of sensing material and basic set-up for a 2D oxygen sensing system. A detailed review of oxygen imaging in microreactors and microfluidic systems is given on different applications in oxygen gradient monitoring, cell culturing, single-cell analysis and chemical reactions. Finally, we discuss challenges and trends of oxygen imaging in microfluidic systems.

  14. Method and apparatus for quantum information processing using entangled neutral-atom qubits

    Energy Technology Data Exchange (ETDEWEB)

    Jau, Yuan Yu; Biedermann, Grant; Deutsch, Ivan

    2018-04-03

    A method for preparing an entangled quantum state of an atomic ensemble is provided. The method includes loading each atom of the atomic ensemble into a respective optical trap; placing each atom of the atomic ensemble into a same first atomic quantum state by impingement of pump radiation; approaching the atoms of the atomic ensemble to within a dipole-dipole interaction length of each other; Rydberg-dressing the atomic ensemble; during the Rydberg-dressing operation, exciting the atomic ensemble with a Raman pulse tuned to stimulate a ground-state hyperfine transition from the first atomic quantum state to a second atomic quantum state; and separating the atoms of the atomic ensemble by more than a dipole-dipole interaction length.

  15. Analysis at the atomic level: The atom probe field-ion microscope

    International Nuclear Information System (INIS)

    Miller, M.K.

    1987-01-01

    The atom probe field-ion microscope (APFIM) is a unique analytical instrument that can analyze metals and semiconducting materials on the atomic scale. In recent years, the atom probe has developed into one of the most powerful instruments available for routine microstructural and microchemical analysis of materials. The types of investigations that have been performed have encompassed many diverse metallurgical subjects including phase transformations, segregation, diffusion, catalysis, and radiation damage. 3 refs., 3 figs

  16. Direct observation of oxygen configuration on individual graphene oxide sheets

    DEFF Research Database (Denmark)

    Liu, Zilong; Nørgaard, Kasper; Overgaard, Marc H.

    2018-01-01

    a resolution high enough to unambiguously identify oxygen configuration. We used a new, label free spectroscopic technique to map oxygen bonding on GO, with spatial resolution of nanometres and high chemical specificity. AFM-IR, atomic force microscopy coupled with infrared spectroscopy, overcomes conventional...... structural model for GO, with C[dbnd]O on its edge and plane, which confirms parts of earlier proposed models. The results have interesting implications. Determining atomic position and configuration from precise imaging offers the possibility to link nanoscale structure and composition with material...

  17. BOOK REVIEW: Computational Atomic Structure

    Science.gov (United States)

    Post, Douglass E.

    1998-02-01

    The primary purpose of `Computational Atomic Structure' is to give a potential user of the Multi-Configuration Hartree-Fock (MCHF) Atomic Structure Package an outline of the physics and computational methods in the package, guidance on how to use the package, and information on how to interpret and use the computational results. The book is successful in all three aspects. In addition, the book provides a good overview and review of the physics of atomic structure that would be useful to the plasma physicist interested in refreshing his knowledge of atomic structure and quantum mechanics. While most of the subjects are covered in greater detail in other sources, the book is reasonably self-contained, and, in most cases, the reader can understand the basic material without recourse to other sources. The MCHF package is the standard package for computing atomic structure and wavefunctions for single or multielectron ions and atoms. It is available from a number of ftp sites. When the code was originally written in FORTRAN 77, it could only be run on large mainframes. With the advances in computer technology, the suite of codes can now be compiled and run on present day workstations and personal computers and is thus available for use by any physicist, even those with extremely modest computing resources. Sample calculations in interactive mode are included in the book to illustrate the input needed for the code, what types of results and information the code can produce, and whether the user has installed the code correctly. The user can also specify the calculational level, from simple Hartree-Fock to multiconfiguration Hartree-Fock. The MCHF method begins by finding approximate wavefunctions for the bound states of an atomic system. This involves minimizing the energy of the bound state using a variational technique. Once the wavefunctions have been determined, other atomic properties, such as the transition rates, can be determined. The book begins with an

  18. High Selectivity Oxygen Delignification

    Energy Technology Data Exchange (ETDEWEB)

    Arthur J. Ragauskas

    2005-09-30

    The overall objective of this program was to develop improved extended oxygen delignification (EOD) technologies for current U.S. pulp mill operations. This was accomplished by: (1) Identifying pulping conditions that optimize O and OO performance; (2) Identifying structural features of lignin that enhance reactivity towards EOD of high kappa pulps; (3) Identifying factors minimizing carbohydrate degradation and improve pulp strength of EOD high kappa pulps; (4) Developing a simple, reproducible method of quantifying yield gains from EOD; and (5) Developing process conditions that significantly reduce the capital requirements of EOD while optimizing the yield benefits. Key research outcomes included, demonstrating the use of a mini-O sequence such as (E+O)Dkf:0.05(E+O) or Dkf:0.05(E+O)(E+O) without interstage washing could capture approximately 60% of the delignification efficiency of a conventional O-stage without the major capital requirements associated with an O-stage for conventional SW kraft pulps. The rate of formation and loss of fiber charge during an O-stage stage can be employed to maximize net fiber charge. Optimal fiber charge development and delignification are two independent parameters and do not parallel each other. It is possible to utilize an O-stage to enhance overall cellulosic fiber charge of low and high kappa SW kraft pulps which is beneficial for physical strength properties. The application of NIR and multi-variant analysis was developed into a rapid and simple method of determining the yield of pulp from an oxygen delignification stage that has real-world mill applications. A focus point of this program was the demonstration that Kraft pulping conditions and oxygen delignification of high and low-kappa SW and HW pulps are intimately related. Improved physical pulp properties and yield can be delivered by controlling the H-factor and active alkali charge. Low AA softwood kraft pulp with a kappa number 30 has an average improvement of 2% in

  19. Oxygen etching mechanism in carbon-nitrogen (CNx) domelike nanostructures

    International Nuclear Information System (INIS)

    Acuna, J. J. S.; Figueroa, C. A.; Kleinke, M. U.; Alvarez, F.; Biggemann, D.

    2008-01-01

    We report a comprehensive study involving the ion beam oxygen etching purification mechanism of domelike carbon nanostructures containing nitrogen. The CN x nanodomes were prepared on Si substrate containing nanometric nickel islands catalyzed by ion beam sputtering of a carbon target and assisting the deposition by a second nitrogen ion gun. After preparation, the samples were irradiated in situ by a low energy ion beam oxygen source and its effects on the nanostructures were studied by x-ray photoelectron spectroscopy in an attached ultrahigh vacuum chamber, i.e., without atmospheric contamination. The influence of the etching process on the morphology of the samples and structures was studied by atomic force microscopy and field emission gun-secondary electron microscopy, respectively. Also, the nanodomes were observed by high resolution transmission electron microscopy. The oxygen atoms preferentially bond to carbon atoms by forming terminal carbonyl groups in the most reactive parts of the nanostructures. After the irradiation, the remaining nanostructures are grouped around two well-defined size distributions. Subsequent annealing eliminates volatile oxygen compounds retained at the surface. The oxygen ions mainly react with nitrogen atoms located in pyridinelike structures

  20. On-line system for investigation of atomic structure

    International Nuclear Information System (INIS)

    Amus'ya, M.Ya.; Chernysheva, L.V.

    1983-01-01

    A description of the on-line ATOM system is presented that enables to investigate the structure of atomic electron shells and their interactions with different scattering particles-electrons, positronse photons, mesons - with the use of computerized numerical solutions. The problem is stated along with mathematical description of atomic properties including theoretical and numerical models for each investigated physical process. The ATOM system structure is considered. The Hartree-Fock method is used to determine the wave functions of the ground and excited atomic states. The programs are written in the ALGOL langauge. Different atomic characteristics were possible to be calculated for the first time with an accuracy exceeding an experimental one

  1. Atomic Ferris wheel beams

    Science.gov (United States)

    Lembessis, Vasileios E.

    2017-07-01

    We study the generation of atom vortex beams in the case where a Bose-Einstein condensate, released from a trap and moving in free space, is diffracted from a properly tailored light mask with a spiral transverse profile. We show how such a diffraction scheme could lead to the production of an atomic Ferris wheel beam.

  2. Atomic Energy Control Board

    International Nuclear Information System (INIS)

    Blackman, N.S.; Gummer, W.K.

    1982-02-01

    This paper has been prepared to provide an overview of the responsibilities and activities of the Atomic Energy Control Board. It is designed to address questions that are often asked concerning the establishment of the Atomic Energy Control Board, its enabling legislation, licensing and compliance activities, federal-provincial relationships, international obligations, and communications with the public

  3. Beyond the Atom

    Science.gov (United States)

    Cox, John

    2011-08-01

    1. Introduction - the atom in the seventies; 2. The vacuum tube; 3. The new rays; 4. The new substances; 5. Disintegration; 6. A family tree; 7. Verifications and results; 8. The objective reality of molecules; 9. The new atom; Bibliography; Index.

  4. Atoms, Molecules, and Compounds

    CERN Document Server

    Manning, Phillip

    2007-01-01

    Explores the atoms that govern chemical processes. This book shows how the interactions between simple substances such as salt and water are crucial to life on Earth and how those interactions are predestined by the atoms that make up the molecules.

  5. Atoms, Molecules and Radiation

    Indian Academy of Sciences (India)

    IAS Admin

    A Refresher Course in Applications of Quantum Mechanics to 'Atoms, Molecules and Radiation' will be held at the Indian Academy of Sciences, Bangalore from December 8 to 20. 2014. The Course is primarily aimed at teachers teaching quantum mechanics and/ or atomic and molecular physics at the UG / PG level.

  6. When Atoms Want

    Science.gov (United States)

    Talanquer, Vicente

    2013-01-01

    Chemistry students and teachers often explain the chemical reactivity of atoms, molecules, and chemical substances in terms of purposes or needs (e.g., atoms want or need to gain, lose, or share electrons in order to become more stable). These teleological explanations seem to have pedagogical value as they help students understand and use…

  7. Zeeman atomic absorption spectroscopy

    International Nuclear Information System (INIS)

    Loos-Vollebregt, M.T.C. de.

    1980-01-01

    A new method of background correction in atomic absorption spectroscopy has recently been introduced, based on the Zeeman splitting of spectral lines in a magnetic field. A theoretical analysis of the background correction capability observed in such instruments is presented. A Zeeman atomic absorption spectrometer utilizing a 50 Hz sine wave modulated magnetic field is described. (Auth.)

  8. Spectroscopic Determination of Trace Contaminants in High Purity Oxygen

    Science.gov (United States)

    Hornung, Steven D.

    2011-01-01

    Oxygen used for extravehicular activities (EVA) must be free of contaminants because a difference in a few tenths of a percent of argon or nitrogen content can mean significant reduction in available EVA time. These inert gases build up in the extravehicular mobility unit because they are not metabolized or scrubbed from the atmosphere. Measurement of oxygen purity above 99.5% is problematic, and currently only complex instruments such as gas chromatographs or mass spectrometers are used for these determinations. Because liquid oxygen boil-off from the space shuttle will no longer be available to supply oxygen for EVA use, other concepts are being developed to produce and validate high purity oxygen from cabin air aboard the International Space Station. A prototype optical emission technique capable of detecting argon and nitrogen below 0.1% in oxygen was developed at White Sands Test Facility. This instrument uses a glow discharge in reduced pressure gas to produce atomic emission from the species present. Because the atomic emission lines from oxygen, nitrogen, and argon are discrete and in many cases well-separated, trace amounts of argon and nitrogen can be detected in the ultraviolet and visible spectrum. This is a straightforward, direct measurement of the target contaminants and may lend itself to a device capable of on-orbit verification of oxygen purity. System design and optimized measurement parameters are presented.

  9. Bibliography of atomic and molecular processes, 1983

    International Nuclear Information System (INIS)

    Barnett, C.F.; Crandall, D.H.; Gilbody, H.B.

    1984-10-01

    This annotated bibliography includes papers on atomic and molecular processes published during 1983. Sources include scientific journals, conference proceedings, and books. Each entry is designated by one or more of the 114 categories of atomic and molecular processes used by the Controlled Fusion Atomic Data Center, Oak Ridge National Laboratory to classify data. Also indicated is whether the work was experimental or theoretical, what energy range was covered, what reactants were investigated, and the country of origin of the first author. Following the bibliographical listing, the entries are indexed according to the categories and according to reactants within each subcategory

  10. 1985 bibliography of atomic and molecular processes

    Energy Technology Data Exchange (ETDEWEB)

    Barnett, C.F.; Gilbody, H.B.; Gregory, D.C.; Griffin, P.M.; Havener, C.C.; Howald, A.M.; Kirkpatrick, M.I.; McDaniel, E.W.; Meyer, F.W.; Morgan, T.J. (comps.)

    1986-06-01

    This annotated bibliography includes papers on atomic and molecular processes published during 1985. Sources include scientific journals, conference proceedings, and books. Each entry is designated by one or more of the 114 categories of atomic and molecular processes used by the Controlled Fusion Atomic Data Center, Oak Ridge National Laboratory to classify data. Also indicated is whether the work was experimental or theoretical, what energy range was covered, what reactants were investigated, and the country of origin of the first author. Following the bibliographical listing, the entries are indexed according to the categories and according to reactants within each subcategory.

  11. 1984 Bibliography of atomic and molecular processes

    International Nuclear Information System (INIS)

    Barnett, C.F.; Gilbody, H.B.; Gregory, D.C.

    1985-04-01

    This annotated bibliography includes papers on atomic and molecular processes published during 1984. Sources include scientific journals, conference proceedings, and books. Each entry is designated by one or more of the 114 categories of atomic and molecular processes used by the Controlled Fusion Atomic Data Center, Oak Ridge National Laboratory to classify data. Also indicated is whether the work was experimental or theoretical, what energy range was covered, what reactants were investigated, and the country of origin of the first author. Following the bibliographical listing, the entries are indexed according to the categories and according to reactants within each subcategory

  12. Bibliography of atomic and molecular processes, 1983

    Energy Technology Data Exchange (ETDEWEB)

    Barnett, C.F.; Crandall, D.H.; Gilbody, H.B.; Gregory, D.C.; Kirkpatrick, M.I.; McDaniel, E.W.; McKnight, R.H.; Meyer, F.W.; Morgan, T.J.; Phaneuf, R.A. (comps.)

    1984-10-01

    This annotated bibliography includes papers on atomic and molecular processes published during 1983. Sources include scientific journals, conference proceedings, and books. Each entry is designated by one or more of the 114 categories of atomic and molecular processes used by the Controlled Fusion Atomic Data Center, Oak Ridge National Laboratory to classify data. Also indicated is whether the work was experimental or theoretical, what energy range was covered, what reactants were investigated, and the country of origin of the first author. Following the bibliographical listing, the entries are indexed according to the categories and according to reactants within each subcategory.

  13. 1984 Bibliography of atomic and molecular processes

    Energy Technology Data Exchange (ETDEWEB)

    Barnett, C.F.; Gilbody, H.B.; Gregory, D.C.; Griffin, P.M.; Havener, C.C.; Howard, A.M.; Kirkpatrick, M.I.; McDaniel, E.W.; Meyer, F.W.; Morgan, T.J. (comps.)

    1985-04-01

    This annotated bibliography includes papers on atomic and molecular processes published during 1984. Sources include scientific journals, conference proceedings, and books. Each entry is designated by one or more of the 114 categories of atomic and molecular processes used by the Controlled Fusion Atomic Data Center, Oak Ridge National Laboratory to classify data. Also indicated is whether the work was experimental or theoretical, what energy range was covered, what reactants were investigated, and the country of origin of the first author. Following the bibliographical listing, the entries are indexed according to the categories and according to reactants within each subcategory.

  14. 1985 bibliography of atomic and molecular processes

    International Nuclear Information System (INIS)

    Barnett, C.F.; Gilbody, H.B.; Gregory, D.C.

    1986-06-01

    This annotated bibliography includes papers on atomic and molecular processes published during 1985. Sources include scientific journals, conference proceedings, and books. Each entry is designated by one or more of the 114 categories of atomic and molecular processes used by the Controlled Fusion Atomic Data Center, Oak Ridge National Laboratory to classify data. Also indicated is whether the work was experimental or theoretical, what energy range was covered, what reactants were investigated, and the country of origin of the first author. Following the bibliographical listing, the entries are indexed according to the categories and according to reactants within each subcategory

  15. 1982 bibliography of atomic and molecular processes

    Energy Technology Data Exchange (ETDEWEB)

    Barnett, C.F.; Crandall, D.H.; Gilbody, H.B.; Gregory, D.C.; Kirkpatrick, M.I.; McDaniel, E.W.; McKnight, R.H.; Meyer, F.W.; Morgan, T.J.; Phaneuf, R.A. (comps.)

    1984-05-01

    This annotated bibliography includes papers on atomic and molecular processes published during 1982. Sources include scientific journals, conference proceedings, and books. Each entry is designated by one or more of the 114 categories of atomic and molecular processes used by the Controlled Fusion Atomic Data Center, Oak Ridge National Laboratory to classify data. Also indicated is whether the work was experimental or theoretical, what energy range was covered, what reactants were investigated, and the country of origin of the first author. Following the bibliographical listing, the entries are indexed according to the categories and according to reactants within each subcategory.

  16. Oxygen saturations of medical inpatients in a Malawian hospital: cross-sectional study of oxygen supply and demand

    Directory of Open Access Journals (Sweden)

    Hywel Gethin Tudur Evans

    2012-07-01

    Full Text Available Oxygen is a World Health Organization listed essential drug, yet provision of oxygen in developing countries often fails to meet demand. The aim of this study was to evaluate the need for supplementary oxygen against oxygen delivery capacity at a large teaching hospital in Malawi. A cross-sectional study of all adult medical inpatients and assessment of oxygen provision over a 24-hour period was conducted. 144 patients were included in the study, 14 of whom met local and international criteria for oxygen therapy (oxygen saturations of <90%. Four were receiving oxygen. Of the 8 oxygen concentrators available, only 4 were functional. In conclusion, we identified a need for oxygen that was greater than the supply.

  17. Oxygen saturations of medical inpatients in a Malawian hospital: cross-sectional study of oxygen supply and demand

    Directory of Open Access Journals (Sweden)

    Hywel-Gethin Tudur Evans

    2012-05-01

    Full Text Available Normal 0 false false false EN-GB JA X-NONE Oxygen is a World Health Organisation listed essential drug yet provision of oxygen in developing countries often fails to meet demand.  The aim of this study was to evaluate the need for supplementary oxygen against oxygen delivery capacity at a large teaching hospital in Malawi.  A cross‐sectional study of all adult medical inpatients and assessment of oxygen provision over a 24‐hour period was conducted.    144 patients were included in the study, 14 of whom met local and international criteria for oxygen therapy (oxygen saturations of <90%.  Four were receiving oxygen.  Of the 8 oxygen concentrators available, only 4 were functional.  In conclusion, we identified a need for oxygen that was greater than the supply.

  18. Reactivity of graphene and hexagonal boron nitride in-plane heterostructures with oxygen: a DFT study.

    Science.gov (United States)

    Nguyen, Manh-Thuong

    2014-08-04

    A density-functional study has been undertaken to investigate the chemical properties of in-plane heterostructures of graphene and hexagonal boron nitride. The interactions of armchair and zigzag linking edges with oxygen are looked at in detail. The results of the calculations indicate that the linking edges are highly reactive to oxygen atoms and predict that oxygen molecules can accordingly be adsorbed dissociatively. Furthermore, because oxygen atoms cooperatively interact with the heterostructures, the process can lead to opening of the linking edges, thus splitting the two materials. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Advances in the development of chemical oxygen-iodine laser

    Czech Academy of Sciences Publication Activity Database

    Kodymová, Jarmila; Špalek, Otomar; Jirásek, Vít; Čenský, Miroslav

    2004-01-01

    Roč. 54, č. 5 (2004), s. 561-574 ISSN 0011-4626 R&D Projects: GA MŠk LN00A100 Grant - others:EOARD(XE) USAF Institutional research plan: CEZ:AV0Z1010921 Keywords : chemical oxygen-iodine laser * COIL * singlet oxygen * atomic iodine Subject RIV: BH - Optics, Masers, Lasers Impact factor: 0.292, year: 2004

  20. Pinning by oxygen vacancies in high-Tc superconductors

    International Nuclear Information System (INIS)

    Chudnovsky, E.M.

    1990-01-01

    It is shown that recent data of Murray et al. on spatial correlations in flux lattices of Bi-Sr-Ca-Cu-O (BSCCO) may be explained if one assumes that 1% of oxygen atoms in CuO 2 layers are missing. This estimate, being in remarkable agreement with that deduced by Kes and van der Beek from ac-susceptibility measurements, provides strong confidence that oxygen vacancies are the major source of pinning in BSCCO