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Sample records for 1s ionization energies

  1. Ionization energies and term energies of the ground states 1s22s of lithium-like systems

    NASA Astrophysics Data System (ADS)

    Li, Jin-Ying; Wang, Zhi-Wen

    2014-01-01

    We extend the Hamiltonian method of the full-core plus correlation (FCPC) by minimizing the expectation value to calculate the non-relativistic energies and the wave functions of 1s22s states for the lithium-like systems from Z = 41 to 50. The mass-polarization and the relativistic corrections including the kinetic-energy correction, the Darwin term, the electron—electron contact term, and the orbit—orbit interaction are calculated perturbatively as first-order correction. The contribution from quantum electrodynamic (QED) is also explored by using the effective nuclear charge formula. The ionization potential and term energies of the ground states 1s22s are derived and compared with other theoretical calculation results. It is shown that the FCPC methods are also effective for theoretical calculation of the ionic structure for high nuclear ion of lithium-like systems.

  2. Fine structure and ionization energy of the 1s2s2p 4P state of the helium negative ion He-.

    PubMed

    Wang, Liming; Li, Chun; Yan, Zong-Chao; Drake, G W F

    2014-12-31

    The fine structure and ionization energy of the 1s2s2p (4)P state of the helium negative ion He(-) are calculated in Hylleraas coordinates, including relativistic and QED corrections up to O(α(4)mc(2)), O((μ/M)α(4)mc(2)), O(α(5)mc(2)), and O((μ/M)α(5)mc(2)). Higher order corrections are estimated for the ionization energy. A comparison is made with other calculations and experiments. We find that the present results for the fine structure splittings agree with experiment very well. However, the calculated ionization energy deviates from the experimental result by about 1 standard deviation. The estimated theoretical uncertainty in the ionization energy is much less than the experimental accuracy.

  3. Ionization, excitation, and electron transfer in MeV-energy collisions between light nuclei and C{sup 5+}(1s) ions studied with a Sturmian basis

    SciTech Connect

    Winter, Thomas G.

    2004-04-01

    Cross sections have been determined for direct excitation, ionization, and electron transfer in collisions between H, He, Li, and Be nuclei and C{sup 5+}(1s) target ions at nuclear energies 1-24 MeV/nucleon, extending earlier work [Phys. Rev. A 56, 2903 (1997)] to higher energies. Coupled Sturmian pseudostates of principal quantum number at least up to 30 have been included for each angular momentum s, p, d, and f centered on the C nucleus, as well as a 1s state centered on the projectile. Detailed basis-convergence studies have been carried out. Cross sections have been compared with the corresponding Born results, and scaling rules have also been examined.

  4. Excitation and Ionization in H(1s)-H(1s) Collisions

    SciTech Connect

    Riley, Merle E.; Ritchie, A. Burke

    1999-07-15

    Hydrogen atom - hydrogen atom scattering is a prototype for many of the fundamental principles of atomic collisions. In this work we present an approximation to the H+H system for scattering in the intermediate energy regime of 1 to 100 keV. The approximation ignores electron exchange and two-electron excitation by assuming that one of the atoms is frozen in the 1s state. We allow for the evolution of the active electron by numerically solving the 3D Schroedinger equation. The results capture many features of the problem and are in harmony with recent theoretical studies. Excitation and ionization cross sections are computed and compared to other theory and experiment. New insight into the mechanism of excitation and ionization is inferred from the solutions.

  5. Ionization Energies of Lanthanides

    ERIC Educational Resources Information Center

    Lang, Peter F.; Smith, Barry C.

    2010-01-01

    This article describes how data are used to analyze the pattern of ionization energies of the lanthanide elements. Different observed pathways of ionization between different ground states are discussed, and the effects of pairing, exchange, and orbital interactions on ionization energies of the lanthanides are evaluated. When all the above…

  6. Collision energy dependence of product branching in Penning ionization: He*(2 /sup 1/S, 2 /sup 3/S) + H/sub 2/, D/sub 2/, and HD

    SciTech Connect

    Martin, D.W.; Weiser, C.; Sperlein, R.F.; Bernfeld, D.L.; Siska, P.E.

    1989-02-01

    Relative ionization cross sections for the title systems with articulation of all product ion channels have been measured in the collision energy range 1.5--4.0 kcal/mol using crossed supersonic molecular beams; the H/sub 2/ results have been extended down to 0.5 kcal/mol by the use of a 10% H/sub 2//Ar seeded beam. The data are interpreted with a microscopic two-step model that assumes ionization near the turning point in the excited state, a centrifugal barrier criterion for ionic complex formation, and statistical partitioning of flux among the possible ionic products, i.e., phase-space theory. A full statistical calculation underestimates the amount of rearrangement ionization He*+H/sub 2/..-->..HeH/sup +/+H+e/sup -/ by a factor of 2, but one which excludes antiparallel coupling of orbital and rotational angular momenta in the H/sup +//sub 2/ channel is in better accord with the data. A substantial isotope effect favoring HeD/sup +/ over HeH/sup +/ in the HD reactions by a factor of 1.9 +- 0.2 is well represented by the model.

  7. N1s and O1s double ionization of the NO and N{sub 2}O molecules

    SciTech Connect

    Hedin, L.; Zhaunerchyk, V.; Karlsson, L.; Pernestål, K.; Feifel, R.; Tashiro, M.; Ehara, M.; Linusson, P.; Eland, J. H. D.; Ueda, K.

    2014-01-28

    Single-site N1s and O1s double core ionisation of the NO and N{sub 2}O molecules has been studied using a magnetic bottle many-electron coincidence time-of-flight spectrometer at photon energies of 1100 eV and 1300 eV. The double core hole energies obtained for NO are 904.8 eV (N1s{sup −2}) and 1179.4 eV (O1s{sup −2}). The corresponding energies obtained for N{sub 2}O are 896.9 eV (terminal N1s{sup −2}), 906.5 eV (central N1s{sup −2}), and 1174.1 eV (O1s{sup −2}). The ratio between the double and single ionisation energies are in all cases close or equal to 2.20. Large chemical shifts are observed in some cases which suggest that reorganisation of the electrons upon the double ionization is significant. Δ-self-consistent field and complete active space self-consistent field (CASSCF) calculations were performed for both molecules and they are in good agreement with these results. Auger spectra of N{sub 2}O, associated with the decay of the terminal and central N1s{sup −2} as well as with the O1s{sup −2} dicationic states, were extracted showing the two electrons emitted as a result of filling the double core holes. The spectra, which are interpreted using CASSCF and complete active space configuration interaction calculations, show atomic-like character. The cross section ratio between double and single core hole creation was estimated as 1.6 × 10{sup −3} for nitrogen at 1100 eV and as 1.3 × 10{sup −3} for oxygen at 1300 eV.

  8. Ionization and excitation in collisions between antiprotons and H(1s) atoms studied with Sturmian bases

    SciTech Connect

    Winter, Thomas G.

    2011-02-15

    Coupled two-center as well as one-center Sturmian cross sections have been determined for ionization and excitation in p-bar-H(1s) collisions at p-bar energies from 1 to 16 000 keV, following the author's recent work for p-H(1s) collisions [Phys. Rev. A 80, 032701 (2009)]. Basis convergence is studied in detail. Results for ionization and excitation are compared to other coupled-state results and to numerical results, as well as limited experimental results for ionization only. Except for the large, two-center coupled-Gaussian-pseudostate calculation of Toshima for ionization only [Phys. Rev. A 64, 024701 (2001)], previous calculations employed one-center bases, including a one-center Sturmian calculation by Igarashi et al. [Phys. Rev. A 61, 062712 (2000)]. A strong contrast with p-H collisions is confirmed at intermediate energies, while at high energies the extent of agreement is revealed between coupled-state results for the two collisional systems, as well as with first Born results.

  9. Feasibility of coherent xuv spectroscopy on the 1S-2S transition in singly ionized helium

    SciTech Connect

    Herrmann, M.; Saathoff, G.; Gohle, C.; Ozawa, A.; Batteiger, V.; Knuenz, S.; Kolachevsky, N.; Udem, Th.; Haas, M.; Jentschura, U. D.; Kottmann, F.; Leibfried, D.; Schuessler, H. A.; Haensch, T. W.

    2009-05-15

    The 1S-2S two-photon transition in singly ionized helium is a highly interesting candidate for precision tests of bound-state quantum electrodynamics (QED). With the recent advent of extreme ultraviolet frequency combs, highly coherent quasi-continuous-wave light sources at 61 nm have become available, and precision spectroscopy of this transition now comes into reach for the first time. We discuss quantitatively the feasibility of such an experiment by analyzing excitation and ionization rates, propose an experimental scheme, and explore the potential for QED tests.

  10. Overexpression of c-Myc alters G(1)/S arrest following ionizing radiation.

    PubMed

    Sheen, Joon-Ho; Dickson, Robert B

    2002-03-01

    Study of the mechanism(s) of genomic instability induced by the c-myc proto-oncogene has the potential to shed new light on its well-known oncogenic activity. However, an underlying mechanism(s) for this phenotype is largely unknown. In the present study, we investigated the effects of c-Myc overexpression on the DNA damage-induced G(1)/S checkpoint, in order to obtain mechanistic insights into how deregulated c-Myc destabilizes the cellular genome. The DNA damage-induced checkpoints are among the primary safeguard mechanisms for genomic stability, and alterations of cell cycle checkpoints are known to be crucial for certain types of genomic instability, such as gene amplification. The effects of c-Myc overexpression were studied in human mammary epithelial cells (HMEC) as one approach to understanding the c-Myc-induced genomic instability in the context of mammary tumorigenesis. Initially, flow-cytometric analyses were used with two c-Myc-overexpressing, nontransformed immortal lines (184A1N4 and MCF10A) to determine whether c-Myc overexpression leads to alteration of cell cycle arrest following ionizing radiation (IR). Inappropriate entry into S phase was then confirmed with a bromodeoxyuridine incorporation assay measuring de novo DNA synthesis following IR. Direct involvement of c-Myc overexpression in alteration of the G(1)/S checkpoint was then confirmed by utilizing the MycER construct, a regulatable c-Myc. A transient excess of c-Myc activity, provided by the activated MycER, was similarly able to induce the inappropriate de novo DNA synthesis following IR. Significantly, the transient expression of full-length c-Myc in normal mortal HMECs also facilitated entry into S phase and the inappropriate de novo DNA synthesis following IR. Furthermore, irradiated, c-Myc-infected, normal HMECs developed a sub-G(1) population and a >4N population of cells. The c-Myc-induced alteration of the G(1)/S checkpoint was also compared to the effects of expression of MycS (N

  11. Gas-Liquid Correlation of Ionization Energies.

    DTIC Science & Technology

    1984-04-01

    ions and water. The threshold and reorganization energies of the hydrated electron are calculated from threshold energies of anions and their absorption...hydroxide ions and water. The threshold and reorganization energies of the hydrated electron are calculated from threshold energies of anions and their...threshold energy of the hydrated electron. 2. Free energy of emission and gas-phase ionization Consider the photoelectron emission by an aqueous

  12. Intensity oscillations in the carbon 1s ionization cross sections of 2-butyne

    SciTech Connect

    Carroll, Thomas X.; Zahl, Maria G.; Borve, Knut J.; Saethre, Leif J.; Decleva, Piero; Ponzi, Aurora; Kas, Joshua J.; Vila, Fernando D.; Rehr, John J.; Thomas, T. Darrah

    2013-06-21

    Carbon 1s photoelectron spectra for 2-butyne (CH{sub 3}C{identical_to}CCH{sub 3}) measured in the photon energy range from threshold to 150 eV above threshold show oscillations in the intensity ratio C2,3/C1,4. Similar oscillations have been seen in chloroethanes, where the effect has been attributed to EXAFS-type scattering from the substituent chlorine atoms. In 2-butyne, however, there is no high-Z atom to provide a scattering center and, hence, oscillations of the magnitude observed are surprising. The results have been analyzed in terms of two different theoretical models: a density-functional model with B-spline atom-centered functions to represent the continuum electrons and a multiple-scattering model using muffin-tin potentials to represent the scattering centers. Both methods give a reasonable description of the energy dependence of the intensity ratios.

  13. Ionization Energy: Implications of Preservice Teachers' Conceptions

    ERIC Educational Resources Information Center

    Tan, Kim Chwee Daniel; Taber, Keith S.

    2009-01-01

    The results from a study to explore pre-service teachers' understanding of ionization energy, a topic that features in A-level (grade 11 and 12) chemistry courses. in Singapore , is described. A previous study using a two-tier multiple choice diagnostic test has shown that Singapore A-level students have considerable difficulty understanding the…

  14. Ground Levels and Ionization Energies for the Neutral Atoms

    National Institute of Standards and Technology Data Gateway

    SRD 111 Ground Levels and Ionization Energies for the Neutral Atoms (Web, free access)   Data for ground state electron configurations and ionization energies for the neutral atoms (Z = 1-104) including references.

  15. Role of Penning ionization in the enhancement of streamer channel conductivity and Ar(1s{sub 5}) production in a He-Ar plasma jet

    SciTech Connect

    Sands, Brian L.; Huang, Shih K.; Speltz, Jared W.; Niekamp, Matthew A.; Ganguly, Biswa N.

    2013-04-21

    Plasma jet devices that use a helium gas flow mixed with a small percentage of argon have been shown to operate with a larger discharge current and enhanced production of the Ar(1s{sub 5}) metastable state, particularly in the discharge afterglow. In this experiment, time-resolved quantitative measurements of He(2{sup 3}S{sub 1}) and Ar(1s{sub 5}) metastable species were combined with current and spectrally resolved emission measurements to elucidate the role of Penning ionization in a helium plasma jet with a variable argon admixture. The plasma jet was enclosed in a glass chamber through which a flowing nitrogen background was maintained at 600 Torr. At 3%-5% Ar admixture, we observed a {approx}50% increase in the peak circuit current and streamer velocity relative to a pure helium plasma jet for the same applied voltage. The streamer initiation delay also decreased by {approx}20%. Penning ionization of ground-state argon was found to be the dominant quenching pathway for He(2{sup 3}S{sub 1}) up to 2% Ar and was directly correlated with a sharp increase in both the circuit current and afterglow production of Ar(1s{sub 5}) for Ar admixtures up to 1%, but not necessarily with the streamer velocity, which increased more gradually with Ar concentration. Ar(1s{sub 5}) was produced in the afterglow through recombination of Ar{sup +} and dissociative recombination of Ar{sub 2}{sup +} as the local mean electron energy decreased in the plasma channel behind the streamer head. The discharge current and argon metastable enhancement are contingent on the rapid production of He(2{sup 3}S{sub 1}) near the streamer head, >5 Multiplication-Sign 10{sup 12} cm{sup -3} in 30 ns under the conditions of this experiment.

  16. Ionization energy of acetone by vacuum ultraviolet mass-analyzed threshold ionization spectrometry

    NASA Astrophysics Data System (ADS)

    Kim, Jae Han; Kang, Do Won; Hong, Yong Jun; Hwang, Hyonseok; Kim, Hong Lae; Kwon, Chan Ho

    2013-04-01

    Mass-analyzed threshold ionization (MATI) time-of-flight mass spectrometer using coherent vacuum ultraviolet (VUV) laser generated by four-wave difference frequency mixing (FWDFM) in Kr has been constructed and utilized to obtain the accurate ionization energy of acetone. From the MATI onsets measured from various applied pulsed fields, the ionization energy to the ionic ground state of acetone has been determined to be 9.7074 ± 0.0019 eV.

  17. Ionizing Energy Depositions After Fast Neutron Interactions in Silicon

    DOE PAGES

    Bergmann, Benedikt; Pospisil, Stanislav; Caicedo, Ivan; ...

    2016-06-01

    In our study we present the ionizing energy depositions in a 300 μm thick silicon layer after fast neutron impact. With the Time-of-Flight (ToF) technique, the ionizing energy deposition spectra of recoil silicons and secondary charged particles were assigned to (quasi-)monoenergetic neutron energies in the range from 180 keV to hundreds of MeV. We also show and interpret representative measured energy spectra. By separating the ionizing energy losses of the recoil silicon from energy depositions by products of nuclear reactions, the competition of ionizing (IEL) and non-ionizing energy losses (NIEL) of a recoil silicon within the silicon lattice was investigated.more » Furthermore, the data give supplementary information to the results of a previous measurement and are compared with different theoretical predictions.« less

  18. Ionizing Energy Depositions After Fast Neutron Interactions in Silicon

    SciTech Connect

    Bergmann, Benedikt; Pospisil, Stanislav; Caicedo, Ivan; Kierstead, James; Takai, Helio; Frojdh, Erik

    2016-06-01

    In our study we present the ionizing energy depositions in a 300 μm thick silicon layer after fast neutron impact. With the Time-of-Flight (ToF) technique, the ionizing energy deposition spectra of recoil silicons and secondary charged particles were assigned to (quasi-)monoenergetic neutron energies in the range from 180 keV to hundreds of MeV. We also show and interpret representative measured energy spectra. By separating the ionizing energy losses of the recoil silicon from energy depositions by products of nuclear reactions, the competition of ionizing (IEL) and non-ionizing energy losses (NIEL) of a recoil silicon within the silicon lattice was investigated. Furthermore, the data give supplementary information to the results of a previous measurement and are compared with different theoretical predictions.

  19. Field ionization of free helium atoms: Correlation between the kinetic energy of ionized atoms and probability of their field ionization

    NASA Astrophysics Data System (ADS)

    Piskur, J.; Borg, L.; Stupnik, A.; Leisch, M.; Ernst, W. E.; Holst, B.

    2008-05-01

    In this paper the correlation between the kinetic energy of helium atoms and the probability of field ionization is investigated by exploiting the narrow velocity distribution of supersonic molecular beams. Field ionization measurements were carried out on supersonic helium beams at 298 K and 95 K corresponding to energies of about 65 meV and 20 meV, respectively, for the individual atoms. The field ionization was performed with a tungsten tip, radius of curvature 12 nm, kept at room temperature. The ionization probability was found to increase by about a factor 10 when the beam was cooled from 298 K to 95 K. The results presented in this paper are of importance for improving the understanding of field ionization and for the development of a new detector for helium and other molecular beams.

  20. Plasmadynamics and ionization kinetics of thermionic energy conversion

    SciTech Connect

    Lawless, J.L. Jr.; Lam, S.H.

    1982-02-01

    To reduce the plasma arc-drop, thermionic energy conversion is studied with both analytical and numerical tools. Simplifications are made in both the plasmadynamic and ionization-recombination theories. These are applied to a scheme proposed presently using laser irradiation to enhance the ionization kinetics of the thermionic plasma and thereby reduce the arc-drop. It is also predicted that it is possible to generate the required laser light from a thermionic-type cesium plasma. The analysis takes advantage of theoretical simplifications derived for the ionization-recombination kinetics. It is shown that large laser ionization enhancements can occur and that collisional cesium recombination lasing is expected. To complement the kinetic theory, a numerical method is developed to solve the thermionic plasma dynamics. To combine the analysis of ionization-recombination kinetics with the plasma dynamics of thermionic conversion, a finite difference computer program is constructed. It is capable of solving for both unsteady and steady thermionic converter behavior including possible laser ionization enhancement or atomic recombination lasing. A proposal to improve thermionic converter performance using laser radiation is considered. In this proposed scheme, laser radiation impinging on a thermionic plasma enhances the ionization process thereby raising the plasma density and reducing the plasma arc-drop. A source for such radiation may possibly be a cesium recombination laser operating in a different thermionic converter. The possibility of this being an energy efficient process is discussed. (WHK)

  1. Relativistic contributions to single and double core electron ionization energies of noble gases.

    PubMed

    Niskanen, J; Norman, P; Aksela, H; Agren, H

    2011-08-07

    We have performed relativistic calculations of single and double core 1s hole states of the noble gas atoms in order to explore the relativistic corrections and their additivity to the ionization potentials. Our study unravels the interplay of progression of relaxation, dominating in the single and double ionization potentials of the light elements, versus relativistic one-electron effects and quantum electrodynamic effects, which dominate toward the heavy end. The degree of direct relative additivity of the relativistic corrections for the single electron ionization potentials to the double electron ionization potentials is found to gradually improve toward the heavy elements. The Dirac-Coulomb Hamiltonian is found to predict a scaling ratio of ∼4 for the relaxation induced relativistic energies between double and single ionization. Z-scaling of the computed quantities were obtained by fitting to power law. The effects of nuclear size and form were also investigated and found to be small. The results indicate that accurate predictions of double core hole ionization potentials can now be made for elements across the full periodic table.

  2. Polycyclic Aromatic Hydrocarbon Ionization Energy Lowering in Water Ices

    NASA Technical Reports Server (NTRS)

    Gudipati, Murthy S.; Allamandola, Louis J.

    2004-01-01

    In studying various interstellar and solar system ice analogs, we have recently found that upon vacuum ultraviolet photolysis, polycyclic aromatic hydrocarbons (PAHs) frozen in water ice at low temperatures are easily ionized and indefinitely stabilized as trapped ions (Gudipati; Gudipati & Allamandola). Here we report the first experimental study that shows that PAH ionization energy is significantly lowered in PAH/H2O ices, in agreement with recent theoretical work (Woon & Park). The ionization energy (IE) of the PAH studied here, quaterrylene (C40H20, IE = 6.11 eV), is lowered by up to 2.11 eV in water ice. PAH ionization energy reduction in low-temperature water ice substantially expands the astronomical regions in which trapped ions and electrons may be important. This reduction in ionization energy should also hold for other types of trapped species in waterrich interstellar, circumstellar, and solar system ices. Subject headings: ISM: clouds - methods: laboratory - molecular processes - radiation mechanisms: nonthermal -ultraviolet: ISM - ultraviolet: solar system

  3. Radial behavior of the average local ionization energies of atoms

    SciTech Connect

    Politzer, P.; Murray, J.S.; Grice, M.E.; Brinck, T.; Ranganathan, S. )

    1991-11-01

    The radial behavior of the average local ionization energy {ital {bar I}}({bold r}) has been investigated for the atoms He--Kr, using {ital ab} {ital initio} Hartree--Fock atomic wave functions. {ital {bar I}}({bold r}) is found to decrease in a stepwise manner with the inflection points serving effectively to define boundaries between electronic shells. There is a good inverse correlation between polarizability and the ionization energy in the outermost region of the atom, suggesting that {ital {bar I}}({bold r}) may be a meaningful measure of local polarizabilities in atoms and molecules.

  4. Comments on GUT monopole energy loss and ionization

    SciTech Connect

    Hagstrom, R.

    1982-01-01

    A few comments about the likely behavior of the electromagnetic energy loss and ionization rates of super-slowly moving magnetic monopoles are presented. The questions of energy loss rates and ionization rates for super-low monopoles passing through matter are considered, concentrating on aspects of these issues which affect practical detection techniques. It is worthwhile here to emphasize that there is a potentially great distinction between energy loss rates and ionization rates and that the magnitude of this distinction is really the great issue which must be settled in order to understand the significance of experimental results from present and proposed investigations of the slow monopole question. Energy loss here means the total dE/dX of the projectile due to interactions with the electrons of the slowing medium. To the extent that nuclear collisions can be neglected, this so-called electronic energy loss is the relevant quantity in questions about whether monopoles stop within the earth's crust, whether they are slowed by interstellar plasmas, or the signal in a truly calorimetric measurement (measuring temperature rises along the trajectory), etc. Most of our successful detection techniques depend upon the promotion of ground state electrons into states which lie above some energy gap in the material of the detector: electrons must be knocked completely free from the gas atoms in a proportional chamber gas, electrons must be promoted to a higher band in solid scintillator plastics. These processes are generically identified as ionization. (WHK)

  5. Scattering of H(1s) off metastable helium atom at thermal energies

    SciTech Connect

    Sinha, Prabal K.; Ghosh, A. S.

    2006-06-15

    Quantal calculations for scattering of ground-state antihydrogen by metastable (n=2S) helium atoms have been performed using the nonadiabatic, atomic orbital expansion technique at thermal energies. The zero-energy elastic cross sections of the present systems are much greater than the corresponding value for the ground-state helium target. The low-energy elastic cross section for the singlet metastable helium [He(2 {sup 1}S)] target is higher than the corresponding value when the target is in the metastable triplet state [He(2 {sup 3}S)].

  6. Ionization cooling in a low-energy proton storage ring

    SciTech Connect

    Neuffer, David V.; /Fermilab

    2006-03-01

    At the FFAG05 meeting, Mori and Okabe presented a scenario in which the lifetime of protons in a low-energy storage ring ({approx}10 MeV) is extended by energy-loss in a wedge foil, and this enables greater neutron production from the foil. The lifetime extension is due to the cooling effect of this energy loss. We have previously analyzed ionization cooling for muons at optimal cooling energies. The same equations, with appropriate adaptations, can be used to analyze the dynamic situation for proton-material interactions at low energies. In this note we discuss this extension and calculate cooling and heating effects at these very different parameters. The ring could provide a practical application of ionization cooling methods.

  7. Electron impact ionization at relativistic energies

    NASA Astrophysics Data System (ADS)

    Belkacem, Ali; Cole, Kyra; Hertlein, Marcus; Feinberg, Benedict; Schriel, Ralf; Adaniya, Hidehito; Neumann, Nadine

    2004-05-01

    We used an ion time-of-flight set up based on a pulsed high-voltage extraction technique to study the charge state distribution of He, Ne, Ar, Kr and Xe atoms after impact of 0.2 to 1.5 GeV electrons. The relativistic electron beam is produced at the booster beamline at the Advanced Light Source at the Lawrence Berkeley National Laboratory. The yield of ions drops drastically with the charge state number. Our measurements show that the ratio of doubly-charge to singly-charged ions reaches an asymptotic limit of 0.0028 for He already at electron energies below 40 MeV. However we observe a very pronounced energy dependence of the ratio of the doubly-charged to singly-charged ions for the heavier atoms such as Kr and Xe in the 0.2 - 1.5 GeV energy range. This energy dependence takes place way above the energy at which theories based on the equivalent photon method or the born- approximation predict the asymptotic limit to be reached. This may be an indication of new physics coming into play in the photoionization process due to relativistic effects.

  8. Trends in Ionization Energy of Transition-Metal Elements

    ERIC Educational Resources Information Center

    Matsumoto, Paul S.

    2005-01-01

    A rationale for the difference in the periodic trends in the ionization energy of the transition-metal elements versus the main-group elements is presented. The difference is that in the transition-metal elements, the electrons enter an inner-shell electron orbital, while in the main-group elements, the electrons enter an outer-shell electron…

  9. Average local ionization energy generalized to correlated wavefunctions

    SciTech Connect

    Ryabinkin, Ilya G.; Staroverov, Viktor N.

    2014-08-28

    The average local ionization energy function introduced by Politzer and co-workers [Can. J. Chem. 68, 1440 (1990)] as a descriptor of chemical reactivity has a limited utility because it is defined only for one-determinantal self-consistent-field methods such as the Hartree–Fock theory and the Kohn–Sham density-functional scheme. We reinterpret the negative of the average local ionization energy as the average total energy of an electron at a given point and, by rewriting this quantity in terms of reduced density matrices, arrive at its natural generalization to correlated wavefunctions. The generalized average local electron energy turns out to be the diagonal part of the coordinate representation of the generalized Fock operator divided by the electron density; it reduces to the original definition in terms of canonical orbitals and their eigenvalues for one-determinantal wavefunctions. The discussion is illustrated with calculations on selected atoms and molecules at various levels of theory.

  10. Cascade L-shell soft-x-ray emission as incident x-ray photons are tuned across the 1s ionization threshold

    SciTech Connect

    Sokaras, D.; Andrianis, M.; Lagoyannis, A.; Kochur, A. G.; Mueller, M.; Kolbe, M.; Beckhoff, B.; Mantler, M.; Zarkadas, Ch.; Karydas, A. G.

    2011-05-15

    The cascade L-shell x-ray emission as an incident polarized and unpolarized monochromatic radiation overpass the 1s ionization threshold is investigated for the metallic Fe by means of moderate resolution, quantitative x-ray spectrometry. A full ab initio theoretical investigation of the L-shell x-ray emission processes is performed based on a detailed straightforward construction of the cascade decay trees within the Pauli-Fock approximation. The agreement obtained between experiments and the presented theory is indicated and discussed with respect to the accuracy of advanced atomic models as well as its significance for the characterization capabilities of x-ray fluorescence (XRF) analysis.

  11. Ionization energy and active cation vibrations of trans-2-fluorostyrene

    NASA Astrophysics Data System (ADS)

    Wu, Pei Ying; Tzeng, Sheng Yuan; Hsu, Ya Chu; Tzeng, Wen Bih

    2017-02-01

    We applied the two-color resonant two-photon mass-analyzed threshold ionization (MATI) technique to record the cation spectra of trans-2-fluorostyrene by ionizing via six intermediate vibronic levels. The adiabatic ionization energy was determined to be 69 304 ± 5 cm-1. The distinct MATI bands at 67, 124, 242, 355, 737, 806, 833, and 993 cm-1 were assigned to the active cation vibrations related to out-of-plane substituent-sensitive bending vibrations and in-plane ring deformation and bending motions. Many combination vibrations were also observed. Our experimental results suggest that the molecular geometry and vibrational coordinates of the trans-2-fluorostyrene cation in the D0 state resemble those of the neutral species in the S1 state.

  12. Velocity dependence for the chemi-ionization of Ar, Kr, N/sub 2/, CO, and O/sub 2/ by He(2 /sup 1/S) and He(2 /sup 3/S) metastable atoms

    SciTech Connect

    Parr, T.P.; Parr, D.M.; Martin, R.M.

    1982-01-01

    The velocity dependence of the title reactions was measured using crossed molecular beams and time-of-flight velocity dispersion of the metastable helium atoms. The relative collision energy ranged from 6--10 to 600--800 meV. The singlet cross section energy dependences are all of the ''repulsive'' type, i.e., increasing with energy at low energies, implying that the interaction potential well depths are < or approx. =6--8 meV. The triplet cross sections are also generally repulsive, but the Ar, Kr, and O/sub 2/ cases show evidence of minimums at the lowest energies. These observations are in qualitative agreement with the available interaction potential data. The cross section curves were put on an absolute basis by normalization to thermal quenching rate constants. The cross sections tend to approach the same magnitude at high energies and diverge at low energies. The singlet cross sections increase more rapidly than the triplet cross sections at low energies, with the singlet Ar, Kr, and N/sub 2/ curves having especially steep slopes. Theoretical cross section curves were calculated for the He(/sup 1/S,/sup 3/S)/Ar, Kr cases using interaction potentials available from differential scattering studies. The results are in good agreement with experiment, and confirm the need for unusual low energy repulsive structure in the singlet potentials to explain the collisional energy dependence of chemi-ionization.

  13. Low-energy electron rescattering in laser-induced ionization

    NASA Astrophysics Data System (ADS)

    Becker, W.; Goreslavski, S. P.; Milošević, D. B.; Paulus, G. G.

    2014-10-01

    The low-energy structure (LES) in the energy spectrum of above-threshold ionization of rare-gas atoms is reinvestigated from three different points of view. First, the role of forward rescattering in the completely classical simple-man model (SMM) is considered. Then, the corresponding classical electronic trajectories are retrieved in the quantum-mechanical ionization amplitude derived in the strong-field approximation augmented to allow for rescattering. Third, classical trajectories in the presence of both the laser field and the Coulomb field are scrutinized in order to see how they are related to the LES. It is concluded that the LES is already rooted in the SMM. The Coulomb field enhances the structure so that it can successfully compete with other contributions and become visible in the total spectrum.

  14. Quantitative ionization energies and work functions of aqueous solutions.

    PubMed

    Olivieri, Giorgia; Goel, Alok; Kleibert, Armin; Cvetko, Dean; Brown, Matthew A

    2016-10-26

    Despite the ubiquitous nature of aqueous solutions across the chemical, biological and environmental sciences our experimental understanding of their electronic structure is rudimentary-qualitative at best. One of the most basic and seemingly straightforward properties of aqueous solutions-ionization energies-are (qualitatively) tabulated at the water-air interface for a mere handful of solutes, and the manner in which these results are obtained assume the aqueous solutions behave like a gas in the photoelectron experiment (where the vacuum levels of the aqueous solution and of the photoelectron analyzer are equilibrated). Here we report the experimental measure of a sizeable offset (ca. 0.6 eV) between the vacuum levels of an aqueous solution (0.05 M NaCl) and that of our photoelectron analyzer, indicating a breakdown of the gas-like vacuum level alignment assumption for the aqueous solution. By quantifying the vacuum level offset as a function of solution chemical composition our measurements enable, for the first time, quantitative determination of ionization energies in liquid solutions. These results reveal that the ionization energy of liquid water is not independent of the chemical composition of the solution as is usually inferred in the literature, a finding that has important ramifications as measured ionization energies are frequently used to validate theoretical models that posses the ability to provide microscopic insight not directly available by experiment. Finally, we derive the work function, or the electrochemical potential of the aqueous solution and show that it too varies with the chemical composition of the solution.

  15. Low-energy structures in strong-field ionization

    NASA Astrophysics Data System (ADS)

    Ivanov, I. A.; Nam, Chang Hee; Kim, Kyung Taec

    2016-04-01

    We show that the Gabor transform provides a convenient tool allowing one to study the origin of the low-energy structures (LES) in the process of the strong-field ionization. The classical trajectories associated with the stationary points of the Gabor transform enable us to explicate the role of the forward scattering process in forming LES. Our approach offers a fully quantum mechanical description of LES, which can also be applied for other strong-field processes.

  16. The effect of microhydration on ionization energies of thymine

    SciTech Connect

    Khistyev, Kirill; Bravaya, Ksenia B.; Kamarchik, Eugene; Kostko, Oleg; Ahmed, Musahid; Krylov, Anna I.

    2011-01-03

    A combined theoretical and experimental study of the effect of microhydration on ionization energies (IEs) of thymine is presented. The experimental IEs are derived from photoionization efficiency curves recorded using tunable synchrotron VUV radiation. The onsets of the PIE curves are 8.85+-0.05, 8.60+-0.05, 8.55+-0.05, and 8.40+-0.05 eV for thymine, thymine mono-, di-, and tri-hydrates, respectively. The computed (EOM-IP-CCSD/cc-pVTZ) AIEs are 8.90, 8.51, 8.52, and 8.35 eV for thymine and the lowest isomers of thymine mono-, di-, and tri-hydrates. Due to large structural relaxation, the Franck-Condon factors for the 0<-- 0 transitions are very small shifting the apparent PIE onsets to higher energies. Microsolvation strongly affects IEs of thymine -- addition of each water molecule reduces the first vertical IE by 0.10-0.15 eV. The adiabatic IE decreases even more (up to 0.4 eV). The magnitude of the effect varies for different ionized states and for different isomers. For the ionized states that are localized on thymine the dominant contribution to the IE reduction is the electrostatic interaction between the delocalized positive charge on thymine and the dipole moment of the water molecule.

  17. Efficient Ionization Investigation for Flow Control and Energy Extraction

    NASA Technical Reports Server (NTRS)

    Schneider, Steven J.; Kamhawi, Hani; Blankson, Isaiah M.

    2009-01-01

    Nonequilibrium ionization of air by nonthermal means is explored for hypersonic vehicle applications. The method selected for evaluation generates a weakly ionized plasma using pulsed nanosecond, high-voltage discharges sustained by a lower dc voltage. These discharges promise to provide a means of energizing and sustaining electrons in the air while maintaining a nearly constant ion/neutral molecule temperature. This paper explores the use of short approx.5 nsec, high-voltage approx.12 to 22 kV, repetitive (40 to 100 kHz) discharges in generating a weakly ionized gas sustained by a 1 kV dc voltage in dry air at pressures from 10 to 80 torr. Demonstrated lifetimes of the sustainer discharge current approx.10 to 25 msec are over three orders of magnitude longer than the 5 nsec pulse that generates the electrons. This life is adequate for many high speed flows, enabling the possibility of exploiting weakly ionized plasma phenomena in flow-fields such as those in hypersonic inlets, combustors, and nozzles. Results to date are obtained in a volume of plasma between electrodes in a bell jar. The buildup and decay of the visible emission from the pulser excited air is photographed on an ICCD camera with nanosecond resolution and the time constants for visible emission decay are observed to be between 10 to 15 nsec decreasing as pressure increases. The application of the sustainer voltage does not change the visible emission decay time constant. Energy consumption as indicated by power output from the power supplies is 194 to 669 W depending on pulse repetition rate.

  18. Ion energies in high power impulse magnetron sputtering with and without localized ionization zones

    SciTech Connect

    Yang, Yuchen; Tanaka, Koichi; Liu, Jason; Anders, André

    2015-03-23

    High speed imaging of high power impulse magnetron sputtering discharges has revealed that ionization is localized in moving ionization zones but localization disappears at high currents for high yield targets. This offers an opportunity to study the effect ionization zones have on ion energies. We measure that ions have generally higher energies when ionization zones are present, supporting the concept that these zones are associated with moving potential humps. We propose that the disappearance of ionization zones is caused by an increased supply of atoms from the target which cools electrons and reduces depletion of atoms to be ionized.

  19. Energy and charge transfer in ionized argon coated water clusters.

    PubMed

    Kočišek, J; Lengyel, J; Fárník, M; Slavíček, P

    2013-12-07

    We investigate the electron ionization of clusters generated in mixed Ar-water expansions. The electron energy dependent ion yields reveal the neutral cluster composition and structure: water clusters fully covered with the Ar solvation shell are formed under certain expansion conditions. The argon atoms shield the embedded (H2O)n clusters resulting in the ionization threshold above ≈15 eV for all fragments. The argon atoms also mediate more complex reactions in the clusters: e.g., the charge transfer between Ar(+) and water occurs above the threshold; at higher electron energies above ~28 eV, an excitonic transfer process between Ar(+)* and water opens leading to new products Ar(n)H(+) and (H2O)(n)H(+). On the other hand, the excitonic transfer from the neutral Ar* state at lower energies is not observed although this resonant process was demonstrated previously in a photoionization experiment. Doubly charged fragments (H2O)(n)H2(2+) and (H2O)(n)(2+) ions are observed and Intermolecular Coulomb decay (ICD) processes are invoked to explain their thresholds. The Coulomb explosion of the doubly charged cluster formed within the ICD process is prevented by the stabilization effect of the argon solvent.

  20. Energy and charge transfer in ionized argon coated water clusters

    SciTech Connect

    Kočišek, J. E-mail: michal.farnik@jh-inst.cas.cz Lengyel, J.; Fárník, M. E-mail: michal.farnik@jh-inst.cas.cz; Slavíček, P. E-mail: michal.farnik@jh-inst.cas.cz

    2013-12-07

    We investigate the electron ionization of clusters generated in mixed Ar-water expansions. The electron energy dependent ion yields reveal the neutral cluster composition and structure: water clusters fully covered with the Ar solvation shell are formed under certain expansion conditions. The argon atoms shield the embedded (H{sub 2}O){sub n} clusters resulting in the ionization threshold above ≈15 eV for all fragments. The argon atoms also mediate more complex reactions in the clusters: e.g., the charge transfer between Ar{sup +} and water occurs above the threshold; at higher electron energies above ∼28 eV, an excitonic transfer process between Ar{sup +}* and water opens leading to new products Ar{sub n}H{sup +} and (H{sub 2}O){sub n}H{sup +}. On the other hand, the excitonic transfer from the neutral Ar* state at lower energies is not observed although this resonant process was demonstrated previously in a photoionization experiment. Doubly charged fragments (H{sub 2}O){sub n}H{sub 2}{sup 2+} and (H{sub 2}O){sub n}{sup 2+} ions are observed and Intermolecular Coulomb decay (ICD) processes are invoked to explain their thresholds. The Coulomb explosion of the doubly charged cluster formed within the ICD process is prevented by the stabilization effect of the argon solvent.

  1. DNA lesion can facilitate base ionization: vertical ionization energies of aqueous 8-oxoguanine and its nucleoside and nucleotide.

    PubMed

    Palivec, Vladimír; Pluhařová, Eva; Unger, Isaak; Winter, Bernd; Jungwirth, Pavel

    2014-12-04

    8-Oxoguanine is one of the key products of indirect radiation damage to DNA by reactive oxygen species. Here, we describe ionization of this damaged nucleobase and the corresponding nucleoside and nucleotide in aqueous phase, modeled by the nonequilibrium polarizable continuum model, establishing their lowest vertical ionization energies of 6.8-7.0 eV. We thus confirm that 8-oxoguanine has even lower ionization energy than the parental guanine, which is the canonical nucleobase with the lowest ionization energy. Therefore, it can act as a trap for the cationic hole formed by ionizing radiation and thus protect DNA from further radiation damage. We also model using time-dependent density functional theory and measure by liquid jet photoelectron spectroscopy the valence photoelectron spectrum of 8-oxoguanine in water. We show that the calculated higher lying ionization states match well the experiment which, however, is not sensitive enough to capture the electron signal corresponding to the lowest ionization process due to the low solubility of 8-oxoguanine in water.

  2. The excitation energies and term energies of the excited states 1s2ns (n=3,4,5) and 1s2nf (n=4,5) of lithium-like systems of Z=11-20

    NASA Astrophysics Data System (ADS)

    Ge, Zi-Ming; Wang, Zhi-Wen; Zhou, Ya-Jun; He, Li-Ming; Liu, Guo-Guang

    2003-05-01

    In this paper, the full-core plus correlation (FCPC) and the Ritz method is extended to calculate the non-relativistic energies of 1s2ns (n=3,4,5) and 1s2nf (n=4,5) states and the wavefunctions of the lithium-like systems from Z=11-20. The mass-polarization and the relativistic correction including the kinetic-energy correction, the Darwin term, the electron-electron contact term and the orbit-orbit interaction are evaluated perturbatively as the first-order correction. The contribution from quantum electrodynamic is also included by using the effective nuclear charge formula. The excited energies, the term-energy and fine structure, are given and compared with the other theoretical calculation and experimental results. It is shown that the correlative wave in the FCPC method embodies well the strong correlation between the 1s2 core and the valence electron.

  3. Electronic structure and spectroscopy of nucleic acid bases: Ionization energies, ionization-induced structural changes, and photoelectron spectra

    SciTech Connect

    Bravaya, Ksenia B.; Kostko, Oleg; Dolgikh, Stanislav; Landau, Arie; Ahmed, Musahid; Krylov, Anna I.

    2010-08-02

    We report high-level ab initio calculations and single-photon ionization mass spectrometry study of ionization of adenine (A), thymine (T), cytosine (C) and guanine (G). For thymine and adenine, only the lowest-energy tautomers were considered, whereas for cytosine and guanine we characterized five lowest-energy tautomeric forms. The first adiabatic and several vertical ionization energies were computed using equation-of-motion coupled-cluster method for ionization potentials with single and double substitutions. Equilibrium structures of the cationic ground states were characterized by DFT with the {omega}B97X-D functional. The ionization-induced geometry changes of the bases are consistent with the shapes of the corresponding molecular orbitals. For the lowest-energy tautomers, the magnitude of the structural relaxation decreases in the following series G > C > A > T, the respective relaxation energies being 0.41, 0.32, 0.25 and 0.20 eV. The computed adiabatic ionization energies (8.13, 8.89, 8.51-8.67 and 7.75-7.87 eV for A,T,C and G, respectively) agree well with the onsets of the photoionization efficiency (PIE) curves (8.20 {+-} 0.05, 8.95 {+-} 0.05, 8.60 {+-} 0.05 and 7.75 {+-} 0.05 eV). Vibrational progressions for the S{sub 0}-D{sub 0} vibronic bands computed within double-harmonic approximation with Duschinsky rotations are compared with previously reported experimental photoelectron spectra.

  4. Extreme ultraviolet ionization of pure He nanodroplets: Mass-correlated photoelectron imaging, Penning ionization, and electron energy-loss spectra

    SciTech Connect

    Buchta, D.; Stienkemeier, F.; Mudrich, M.; Krishnan, S. R.; Moshammer, R.; Brauer, N. B.; Drabbels, M.; O’Keeffe, P.; Coreno, M.; Devetta, M.; Di Fraia, M.; Callegari, C.; Richter, R.; Prince, K. C.; Ullrich, J.

    2013-08-28

    The ionization dynamics of pure He nanodroplets irradiated by Extreme ultraviolet radiation is studied using Velocity-Map Imaging PhotoElectron-PhotoIon COincidence spectroscopy. We present photoelectron energy spectra and angular distributions measured in coincidence with the most abundant ions He{sup +}, He{sub 2}{sup +}, and He{sub 3}{sup +}. Surprisingly, below the autoionization threshold of He droplets, we find indications for multiple excitation and subsequent ionization of the droplets by a Penning-like process. At high photon energies we observe inelastic collisions of photoelectrons with the surrounding He atoms in the droplets.

  5. Hylleraas-configuration-interaction nonrelativistic energies for the {sup 1}S ground states of the beryllium isoelectronic sequence

    SciTech Connect

    Sims, James S.; Hagstrom, Stanley A.

    2014-06-14

    In a previous work, Sims and Hagstrom [“Hylleraas-configuration-interaction study of the 1 {sup 1}S ground state of neutral beryllium,” Phys. Rev. A 83, 032518 (2011)] reported Hylleraas-configuration-interaction (Hy-CI) method variational calculations for the {sup 1}S ground state of neutral beryllium with an estimated accuracy of a tenth of a microhartree. In this work, the calculations have been extended to higher accuracy and, by simple scaling of the orbital exponents, to the entire Be 2 {sup 1}S isoelectronic sequence. The best nonrelativistic energies for Be, B{sup +}, and C{sup ++} obtained are −14.6673 5649 269, −24.3488 8446 36, and −36.5348 5236 25 hartree, respectively. Except for Be, all computed nonrelativistic energies are superior to the known reference energies for these states.

  6. Spectrum and energy levels of quadruply-ionized molybdenum (Mo V)

    NASA Astrophysics Data System (ADS)

    Reader, Joseph; Tauheed, Ahmad

    2015-07-01

    The spectrum of quadruply-ionized molybdenum Mo V was observed from 200 to 4700 Å with sliding spark discharges on 10.7 m normal- and grazing-incidence spectrographs. The existing analyses of this spectrum (Tauheed et al 1985 Phys. Scr. 31 369; Cabeza et al 1986 Phys. Scr. 34 223) were extended to include the 5s2, 5p2, 5s5d, 5s6s, 4d5f, and 4d5g configurations as well as the missing 3H6 level of 4d4f and about 75 levels of the core-excited configuration 4p54d3. The values of the 4d5d 1S0, 5s5p 1P1, and 4d6p 3P0 levels were revised. There are now about 900 lines classified as transitions between 66 even parity and 191 odd parity energy levels. Of these, about 600 lines and 130 levels are new. From the optimized energy level values, Ritz-type wavelengths were determined for about 380 lines, with uncertainties varying from 0.0003 to 0.002 Å. The observed configurations were theoretically interpreted by means of Hartree-Fock calculations and least-squares fits of the energy parameters to the observed levels. The fitted parameters were used to calculate oscillator strengths for all classified lines. A few unclassified lines and undesignated levels are also given. An improved value for the ionization energy was obtained by combining the observed energy of the 4d5g configuration with an ab initio calculation of its term value. The adopted value is 438 900 ± 150 cm-1 (54.417 ± 0.019 eV).

  7. Xbp1s in Pomc neurons connects ER stress with energy balance and glucose homeostasis

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The molecular mechanisms underlying neuronal leptin and insulin resistance in obesity and diabetes remain unclear. Here we show that induction ofthe unfolded protein response transcription factor spliced X-box binding protein 1(Xbp1s) in pro-opio-melanocortin (Pomc) neurons alone is sufficient to pr...

  8. Reverse Energy Cascade in Turbulent Weakly Ionized Plasmas

    NASA Technical Reports Server (NTRS)

    Williams, Kyron; Appartaim, R.; Belay, K.; Johnson, J. A., III

    1998-01-01

    For systems far from equilibrium, the neglect of a role for viscous effects in turbulence may be generally inappropriate when the relaxation time for the molecular process approaches the local flow time (Orou et al. (1996)). Furthermore, for stationary collisional plasmas, the conventional Reynolds number is irrelevant under circumstances where the standard features of turbulence in ordinary gases are observed in the plasma (Johnson et al. (1987)). The current theoretical understanding of these turbulent phenomenon is particularly inadequate for turbulence associated with ionizing shock waves; generally speaking, thermodynamic, acoustic and pressure fluctuations are all seen as amplified across the shock wave followed by a dramatic decay (relaminarization) usually attributed to a lack of importance of viscosity in the turbulent regions. This decay would be accelerated when the flow speed is also reduced due to the importance usually given to the conventional Reynolds number (which is directly proportional to velocity) as a quality of turbulence index. However, evidence supporting this consensus is lacking. By contrast, recent evidence of vanishing triple correlations form De Silva et al. (1996) provides strong support for early theoretical speculation of inherently molecular effects in macroscopic turbulence in Tsuge (1974). This specifically suggests that the role of compressive effects ordinarily associated with the shock wave could be significantly muted by the existence of a strongly turbulent local environment. There is also more recent theoretical speculation (Frisch et al. (1984)) of an inherently and previously unsuspected non-dissipative nature to turbulence, with energy conservation being nurtured by reverse energy cascades in the turbulent fluctuation spectra. Furthermore, the role which might be played by fluctuations on quantum mechanical phenomena and variations in molecular parameters is completely unknown, especially of the sort which might be found

  9. Modeling heavy ion ionization energy loss at low and intermediate energies

    SciTech Connect

    Rakhno, I.L.; /Fermilab

    2009-11-01

    The needs of contemporary accelerator and space projects led to significant efforts made to include description of heavy ion interactions with matter in general-purpose Monte Carlo codes. This paper deals with an updated model of heavy ion ionization energy loss developed previously for the MARS code. The model agrees well with experimental data for various projectiles and targets including super-heavy ions in low-Z media.

  10. Decomposition reaction of the veterinary antibiotic ciprofloxacin using electron ionizing energy.

    PubMed

    Cho, Jae Young; Chung, Byung Yeoup; Lee, Kyeong-Bo; Lee, Geon-Hwi; Hwang, Seon Ah

    2014-12-01

    The application of electron ionizing energy for degrading veterinary antibiotic ciprofloxacin (CFX) in aqueous solution was elucidated. The degradation efficiency of CFX after irradiation with electron ionizing energy was 38% at 1 kGy, 80% at 5kGy, and 97% at 10 kGy. Total organic carbon of CFX in aqueous solution after irradiation with electron ionizing energy decreased 2% at 1 kGy, 18% at 5 kGy, and 53% at 10 kGy. The CFX degradation products after irradiation with electron ionizing energy were CFX1 ([M+H] m/z 330), CFX2 ([M+H] m/z 314), and CFX3 ([M+H] m/z 263). CFX1 had an F atom substituted with OH and CFX2 was expected to originate from CFX via loss of F or H2O. CFX3 was expected to originate from CFX via loss of the piperazynilic ring. Among the several radicals, hydrate electron (eaq(-)) is expected to play an important role in degradation of veterinary antibiotic during irradiation with electron ionizing energy. The toxicity of the degraded products formed during irradiation with electron ionizing energy was evaluated using microbes such as Escherichia coli, Pseudomonas putida, and Bacillus subtilis, and the results revealed that the toxicity decreased with irradiation. These results demonstrate that irradiation technology using electron ionizing energy is an effective was to remove veterinary antibiotics from an aquatic ecosystem.

  11. Ab initio study of thiol aqueous phase ionization energies. Methyl mercaptan and cysteamine

    SciTech Connect

    Colson, A.O.; Sevilla, M.D. )

    1994-10-13

    The ionization energies of two thiol model compounds (methyl mercaptan and cysteamine) are calculated at the ROHF/6-31G* level to aid our understanding of the mechanisms involved in DNA radioprotection. Methyl mercaptan, the thiolate anion, and its trihydrated form are fully geometry optimized. The resulting gas-phase Koopmans ionization energies are 9.68, 1.67, and 3.63 eV, respectively. The ionization energy for the solvated methylthiolate anion, CH[sub 3]S[sup [minus

  12. One-photon mass-analyzed threshold ionization (MATI) spectroscopy of pyridine: Determination of accurate ionization energy and cationic structure

    NASA Astrophysics Data System (ADS)

    Lee, Yu Ran; Kang, Do Won; Kim, Hong Lae; Kwon, Chan Ho

    2014-11-01

    Ionization energies and cationic structures of pyridine were intensively investigated utilizing one-photon mass-analyzed threshold ionization (MATI) spectroscopy with vacuum ultraviolet radiation generated by four-wave difference frequency mixing in Kr. The present one-photon high-resolution MATI spectrum of pyridine demonstrated a much finer and richer vibrational structure than that of the previously reported two-photon MATI spectrum. From the MATI spectrum and photoionization efficiency curve, the accurate ionization energy of the ionic ground state of pyridine was confidently determined to be 73 570 ± 6 cm-1 (9.1215 ± 0.0007 eV). The observed spectrum was almost completely assigned by utilizing Franck-Condon factors and vibrational frequencies calculated through adjustments of the geometrical parameters of cationic pyridine at the B3LYP/cc-pVTZ level. A unique feature unveiled through rigorous analysis was the prominent progression of the 10 vibrational mode, which corresponds to in-plane ring bending, and the combination of other totally symmetric fundamentals with the ring bending overtones, which contribute to the geometrical change upon ionization. Notably, the remaining peaks originate from the upper electronic state (2A2), as predicted by high-resolution photoelectron spectroscopy studies and symmetry-adapted cluster configuration interaction calculations. Based on the quantitatively good agreement between the experimental and calculated results, it was concluded that upon ionization the pyridine cation in the ground electronic state should have a planar structure of C2v symmetry through the C-N axis.

  13. One-photon mass-analyzed threshold ionization (MATI) spectroscopy of pyridine: Determination of accurate ionization energy and cationic structure

    SciTech Connect

    Lee, Yu Ran; Kang, Do Won; Kim, Hong Lae E-mail: hlkim@kangwon.ac.kr; Kwon, Chan Ho E-mail: hlkim@kangwon.ac.kr

    2014-11-07

    Ionization energies and cationic structures of pyridine were intensively investigated utilizing one-photon mass-analyzed threshold ionization (MATI) spectroscopy with vacuum ultraviolet radiation generated by four-wave difference frequency mixing in Kr. The present one-photon high-resolution MATI spectrum of pyridine demonstrated a much finer and richer vibrational structure than that of the previously reported two-photon MATI spectrum. From the MATI spectrum and photoionization efficiency curve, the accurate ionization energy of the ionic ground state of pyridine was confidently determined to be 73 570 ± 6 cm{sup −1} (9.1215 ± 0.0007 eV). The observed spectrum was almost completely assigned by utilizing Franck-Condon factors and vibrational frequencies calculated through adjustments of the geometrical parameters of cationic pyridine at the B3LYP/cc-pVTZ level. A unique feature unveiled through rigorous analysis was the prominent progression of the 10 vibrational mode, which corresponds to in-plane ring bending, and the combination of other totally symmetric fundamentals with the ring bending overtones, which contribute to the geometrical change upon ionization. Notably, the remaining peaks originate from the upper electronic state ({sup 2}A{sub 2}), as predicted by high-resolution photoelectron spectroscopy studies and symmetry-adapted cluster configuration interaction calculations. Based on the quantitatively good agreement between the experimental and calculated results, it was concluded that upon ionization the pyridine cation in the ground electronic state should have a planar structure of C{sub 2v} symmetry through the C-N axis.

  14. Effect of rescattering potential on the high-energy above-threshold ionization of a model-H atom

    NASA Astrophysics Data System (ADS)

    Chen, J.-H.; Wang, G.-L.; Zhang, Z.-R.; Zhao, S.-F.

    2017-01-01

    The high-energy above-threshold ionization of a model-H atom (with 1s state and the same binding energy as H atom) in a few-cycle laser pulse is investigated by using the improved strong-field approximation (ISFA), where the spherical shell potential is used as the rescattering potential. The results obtained from numerically solving time-dependent Schrödinger equation(TDSE) are regarded as the benchmark results. Our results show that the energy distributions in high-energy region obtained from ISFA calculations using the spherical shell potential may either match or be better than those from ISFA using Yukawa potential and zero-range potential in the laser with wavelengths of 800 and 1200 nm. In addition, the influence of the rescattering potential on the density of probability at different ejection angles is also discussed in this paper.

  15. Electron-nuclear energy sharing in above-threshold multiphoton dissociative ionization of H2.

    PubMed

    Wu, J; Kunitski, M; Pitzer, M; Trinter, F; Schmidt, L Ph H; Jahnke, T; Magrakvelidze, M; Madsen, C B; Madsen, L B; Thumm, U; Dörner, R

    2013-07-12

    We report experimental observation of the energy sharing between electron and nuclei in above-threshold multiphoton dissociative ionization of H2 by strong laser fields. The absorbed photon energy is shared between the ejected electron and nuclei in a correlated fashion, resulting in multiple diagonal lines in their joint energy spectrum governed by the energy conservation of all fragment particles.

  16. Ionization energies of argon clusters: A combined experimental and theoretical study

    NASA Astrophysics Data System (ADS)

    Echt, O.; Fiegele, T.; Rümmele, M.; Probst, M.; Matt-Leubner, S.; Urban, J.; Mach, P.; Leszczynski, J.; Scheier, P.; Märk, T. D.

    2005-08-01

    We have measured appearance energies of Arn+,n⩽30, by electron impact of gas phase clusters. Quantum-chemical calculations have been performed to determine the adiabatic and vertical ionization energies of argon clusters up to n =4 and 6, respectively. The experimental appearance energy of the dimer ion approaches, under suitable cluster source conditions, the adiabatic ionization energy. The agreement with values obtained by photoionization and threshold photoelectron-photoion coincidence (TPEPICO) spectra demonstrates that autoionizing Rydberg states are accessible by electron impact. Appearance energies of larger clusters, though, exceed the TPEPICO values by about 0.5 eV.

  17. Generalized average local ionization energy and its representations in terms of Dyson and energy orbitals.

    PubMed

    Kohut, Sviataslau V; Cuevas-Saavedra, Rogelio; Staroverov, Viktor N

    2016-08-21

    Ryabinkin and Staroverov [J. Chem. Phys. 141, 084107 (2014)] extended the concept of average local ionization energy (ALIE) to correlated wavefunctions by defining the generalized ALIE as Ī(r)=-∑jλj|fj(r)|(2)/ρ(r), where λj are the eigenvalues of the generalized Fock operator and fj(r) are the corresponding eigenfunctions (energy orbitals). Here we show that one can equivalently express the generalized ALIE as Ī(r)=∑kIk|dk(r)|(2)/ρ(r), where Ik are single-electron removal energies and dk(r) are the corresponding Dyson orbitals. The two expressions for Ī(r) emphasize different physical interpretations of this quantity; their equivalence enables one to calculate the ALIE at any level of ab initio theory without generating the computationally expensive Dyson orbitals.

  18. Nanocluster ionization energies and work function of aluminum, and their temperature dependence

    SciTech Connect

    Halder, Avik; Kresin, Vitaly V.

    2015-10-28

    Ionization threshold energies of Al{sub n} (n = 32-95) nanoclusters are determined by laser ionization of free neutral metal clusters thermalized to several temperatures in the range from 65 K to 230 K. The photoion yield curves of cold clusters follow a quadratic energy dependence above threshold, in agreement with the Fowler law of surface photoemission. Accurate data collection and analysis procedures make it possible to resolve very small (few parts in a thousand) temperature-induced shifts in the ionization energies. Extrapolation of the data to the bulk limit enables a determination of the thermal shift of the polycrystalline metal work function, found to be in excellent agreement with theoretical prediction based on the influence of thermal expansion. Small clusters display somewhat larger thermal shifts, reflecting their greater susceptibility to thermal expansion. Ionization studies of free size-resolved nanoclusters facilitate understanding of the interplay of surface, electronic, and lattice properties under contamination-free conditions.

  19. Photon Energy Deposition in Strong-Field Single Ionization of Multielectron Molecules.

    PubMed

    Zhang, Wenbin; Li, Zhichao; Lu, Peifen; Gong, Xiaochun; Song, Qiying; Ji, Qinying; Lin, Kang; Ma, Junyang; He, Feng; Zeng, Heping; Wu, Jian

    2016-09-02

    Molecules exposed to strong laser fields may coherently absorb multiple photons and deposit the energy into electrons and nuclei, triggering the succeeding dynamics as the primary stage of the light-molecule interaction. We experimentally explore the electron-nuclear sharing of the absorbed photon energy in above-threshold multiphoton single ionization of multielectron molecules. Using CO as a prototype, vibrational and orbital resolved electron-nuclear sharing of the photon energy is observed. Different from the simplest one- or two-electron systems, the participation of the multiple orbitals and the coupling of various electronic states in the strong-field ionization and dissociation processes alter the photon energy deposition dynamics of the multielectron molecule. The population of numerous vibrational states of the molecular cation as the energy reservoir in the ionization process plays an important role in photon energy sharing between the emitted electron and the nuclear fragments.

  20. Ionization energies of aqueous nucleic acids: photoelectron spectroscopy of pyrimidine nucleosides and ab initio calculations.

    PubMed

    Slavícek, Petr; Winter, Bernd; Faubel, Manfred; Bradforth, Stephen E; Jungwirth, Pavel

    2009-05-13

    Vertical ionization energies of the nucleosides cytidine and deoxythymidine in water, the lowest ones amounting in both cases to 8.3 eV, are obtained from photoelectron spectroscopy measurements in aqueous microjets. Ab initio calculations employing a nonequilibrium polarizable continuum model quantitatively reproduce the experimental spectra and provide molecular interpretation of the individual peaks of the photoelectron spectrum, showing also that lowest ionization originates from the base. Comparison of calculated vertical ionization potentials of pyrimidine bases, nucleosides, and nucleotides in water and in the gas phase underlines the dramatic effect of bulk hydration on the electronic structure. In the gas phase, the presence of sugar and, in particular, of phosphate has a strong effect on the energetics of ionization of the base. Upon bulk hydration, the ionization potential of the base in contrast becomes rather insensitive to the presence of the sugar and phosphate, which indicates a remarkable screening ability of the aqueous solvent. Accurate aqueous-phase vertical ionization potentials provide a significant improvement to the corrected gas-phase values used in the literature and represent important information in assessing the threshold energies for photooxidation and oxidation free energies of solvent-exposed DNA components. Likewise, such energetic data should allow improved assessment of delocalization and charge-hopping mechanisms in DNA ionized by radiation.

  1. Electron transfer and ionization in collisions between H{sup +}, He{sup 2+}, Li{sup 3+}, Be{sup 4+}, B{sup 5+}, C{sup 6+}, N{sup 7+} ions and target C{sup 5+}(1s) ions studied using a Sturmian basis

    SciTech Connect

    Winter, T.G.

    1997-10-01

    Cross sections have been determined for electron transfer and ionization in collisions between H{sup +}, He{sup 2+}, Li{sup 3+}, Be{sup 4+}, B{sup 5+}, C{sup 6+}, N{sup 7+} ions and target C{sup 5+}(1s) ions for projectile energies 125{endash}1000 keV/amu using a coupled-Sturmian-pseudostate approach [Phys. Rev. A {bold 35}, 3799 (1987)]. A comparison is made with results using simpler approaches, and rules for scaling with the projectile nuclear charge are considered. Except for H{sup +}, the results for electron transfer to the ground state are estimated to be converged to 1{percent}; for ionization, the convergence is probably to 10{endash}20thinsp{percent}. {copyright} {ital 1997} {ital The American Physical Society}

  2. Treatment of Electronic Energy Level Transition and Ionization Following the Particle-Based Chemistry Model

    NASA Technical Reports Server (NTRS)

    Liechty, Derek S.; Lewis, Mark

    2010-01-01

    A new method of treating electronic energy level transitions as well as linking ionization to electronic energy levels is proposed following the particle-based chemistry model of Bird. Although the use of electronic energy levels and ionization reactions in DSMC are not new ideas, the current method of selecting what level to transition to, how to reproduce transition rates, and the linking of the electronic energy levels to ionization are, to the author s knowledge, novel concepts. The resulting equilibrium temperatures are shown to remain constant, and the electronic energy level distributions are shown to reproduce the Boltzmann distribution. The electronic energy level transition rates and ionization rates due to electron impacts are shown to reproduce theoretical and measured rates. The rates due to heavy particle impacts, while not as favorable as the electron impact rates, compare favorably to values from the literature. Thus, these new extensions to the particle-based chemistry model of Bird provide an accurate method for predicting electronic energy level transition and ionization rates in gases.

  3. Determination of Energy-Transfer Distributions in Ionizing Ion-Molecule Collisions.

    PubMed

    Maclot, S; Delaunay, R; Piekarski, D G; Domaracka, A; Huber, B A; Adoui, L; Martín, F; Alcamí, M; Avaldi, L; Bolognesi, P; Díaz-Tendero, S; Rousseau, P

    2016-08-12

    The ionization and fragmentation of the nucleoside thymidine in the gas phase has been investigated by combining ion collision with state-selected photoionization experiments and quantum chemistry calculations. The comparison between the mass spectra measured in both types of experiments allows us to accurately determine the distribution of the energy deposited in the ionized molecule as a result of the collision. The relation of two experimental techniques and theory shows a strong correlation between the excited states of the ionized molecule with the computed dissociation pathways, as well as with charge localization or delocalization.

  4. Modeling ionization and recombination from low energy nuclear recoils in liquid argon

    SciTech Connect

    Foxe, Michael P.; Hagmann, Chris; Jovanovic, Igor; Bernstein, A.; Joshi, T.; Kazkaz, K.; Mozin, Vladimir V.; Pereverzev, S. V.; Sangiorgio, Samuele; Sorensen, Peter F.

    2015-09-01

    Coherent neutrino-nucleus scattering (CNNS) is an as-yet undetected, flavor-independent neutrino interaction predicted by the Standard Model. CNNS is a flavor-blind interaction, which offers potential benefits for its use in nonproliferation (nuclear reactor monitoring) and astrophysics (supernova and solar neutrinos) applications. One challenge with detecting CNNS is the low energy deposition associated with a typical CNNS nuclear recoil. In addition, nuclear recoils are predicted to result in lower ionization yields than those produced by electron recoils of the same energy. This ratio of nuclear- and electron-induced ionization, known as the nuclear quenching factor, is unknown at energies typical for CNNS interactions in liquid xenon (LXe) and liquid argon (LAr), detector media being considered for CNNS detection. While there have been recent measurements [1] of the ionization yield from nuclear recoils in LAr, there is no universal model for nuclear quenching and ionization yield. For this reason, a Monte Carlo simulation has been developed to predict the ionization yield at sub-10 keV energies. The local ionization yield of a recoiling atom in the medium is calculated first. The ejected electrons are subsequently tracked in the electric field resulting from both the local electric charges and the externally applied drift field. The dependence of the ionization yield on the drift electric field is obtained by combining the calculated ionization yield for the initial collision cascade with the electron escape probability. An updated estimate of the CNNS signal expected in a LAr detector operated near a nuclear power reactor is presented.

  5. Ionization damage in NPN transistors caused by lower energy electrons

    NASA Astrophysics Data System (ADS)

    Li, Xingji; Xiao, Jingdong; Liu, Chaoming; Zhao, Zhiming; Geng, Hongbin; Lan, Mujie; Yang, Dezhuang; He, Shiyu

    2010-09-01

    Electrical degradation of two type NPN bipolar junction transistors (BJTs) with different emitter sizes was examined under exposures of 70 and 110 keV electrons. Base and collector currents as a function of base-emitter voltage were in-situ measured during exposure. Experimental results show that both the 70 and 110 keV electrons produce an evident ionization damage to the NPN BJTs. With increasing fluence, collector currents of the NPN BJTs hardly change in the whole range of base-emitter voltage from 0 to 1.2 V, while base currents increase in a gradually mitigative trend. Base currents vary more at lower base-emitter voltages than at higher ones for a given fluence. The change in the reciprocal of current gain at a fixed base-emitter voltage of 0.65 V increases non-linearly at lower fluences and tends to be gradually saturated at higher fluences. Sensitivity to ionization damage increases for BJTs with an emitter having a larger perimeter-to-area ratio.

  6. Monte Carlo calculation of energy deposition in ionization chambers for tritium measurements

    NASA Astrophysics Data System (ADS)

    Zhilin, Chen; Shuming, Peng; Dan, Meng; Yuehong, He; Heyi, Wang

    2014-10-01

    Energy deposition in ionization chambers for tritium measurements has been theoretically studied using Monte Carlo code MCNP 5. The influence of many factors, including carrier gas, chamber size, wall materials and gas pressure, has been evaluated in the simulations. It is found that β rays emitted by tritium deposit much more energy into chambers flowing through with argon than with deuterium in them, as much as 2.7 times higher at pressure 100 Pa. As chamber size gets smaller, energy deposition decreases sharply. For an ionization chamber of 1 mL, β rays deposit less than 1% of their energy at pressure 100 Pa and only 84% even if gas pressure is as high as 100 kPa. It also indicates that gold plated ionization chamber results in the highest deposition ratio while aluminum one leads to the lowest. In addition, simulations were validated by comparison with experimental data. Results show that simulations agree well with experimental data.

  7. Analytical model of ionization and energy deposition by proton beams in subcellular compartments

    NASA Astrophysics Data System (ADS)

    de Vera, Pablo; Surdutovich, Eugene; Abril, Isabel; Garcia-Molina, Rafael; Solov'yov, Andrey V.

    2014-04-01

    We present an analytical model to evaluate in a fast, simple and effective manner the energy delivered by proton beams moving through a cell model made of nucleus and cytoplasm, taking into account the energy carried by the secondary electrons generated along the proton tracks. The electronic excitation spectra of these subcellular compartments have been modelled by means of an empirical parameterization of their dielectric properties. The energy loss rate and target ionization probability induced by swift protons are evaluated by means of the dielectric formalism. With the present model we have quantified the energy delivered, the specific energy, and the number of ionizations produced per incoming ion in a typical human cell by a typical hadrontherapy proton beam having energies usually reached around the Bragg peak (below 20 MeV). We find that the specific energy per incoming ion delivered in the nucleus and in the cytoplasm are rather similar for all the proton energy range analyzed.

  8. Ionization energies of the C60 fullerene and its hydrogenated derivatives C60H18 and C60H36 determined by electron ionization

    NASA Astrophysics Data System (ADS)

    Pogulay, Andrey V.; Abzalimov, Rinat R.; Nasibullaev, Shamil'k.; Lobach, Anatoly S.; Drewello, Thomas; Vasil'Ev, Yury V.

    2004-04-01

    Modification of a method for processing positive ion ionization efficiency curves of polyatomic molecules, as developed earlier by Märk and coworkers, has been described. Based on the method, the first, second, and third ionization energies of C60 have been re-examined and found to be in excellent agreement with the most reliable literature data. The ionization energies for C60H18 and C60H36 have been measured for the first time and were established as 7.3+/-0.3 eV and 7.01+/-0.25 eV, respectively. Although the appearance energy of C60H362+ (18.7+/-0.2 eV) has been determined to be lower than that of C602+ (18.98+/-0.35 eV), the reverse scenario is true for the second ionization energies of C60H36 and C60.

  9. Multiphoton laser ionization for energy conversion in barium vapor

    NASA Astrophysics Data System (ADS)

    Makdisi, Y.; Kokaj, J.; Afrousheh, K.; Mathew, J.; Nair, R.; Pichler, G.

    2013-03-01

    We have studied the ion detection of barium atoms in special heated ovens with a tungsten rod in the middle of the stainless steel tube. The tungsten rod was heated indirectly by the oven body heaters. A bias voltage between the cell body and the tungsten rod of 9 V was used to collect electrons, after the barium ions had been created. However, we could collect the electrons even without the bias voltage, although with ten times less efficiency. We studied the conditions for the successful bias-less thermionic signal detection using excimer/dye laser two-photon excitation of Rydberg states below and above the first ionization limit (two-photon wavelength at 475.79 nm). We employed a hot-pipe oven and heat-pipe oven (with inserted mesh) in order to generate different barium vapor distributions inside the oven. The thermionic signal increased by a factor of two under heat-pipe oven conditions.

  10. HEATING OF THE WARM IONIZED MEDIUM BY LOW-ENERGY COSMIC RAYS

    SciTech Connect

    Walker, Mark A.

    2016-02-10

    In light of evidence for a high ionization rate due to low-energy cosmic rays (LECR) in diffuse molecular gas in the solar neighborhood, we evaluate their heat input to the warm ionized medium (WIM). LECR are much more effective at heating plasma than they are at heating neutrals. We show that the upper end of the measured ionization rates corresponds to a local LECR heating rate sufficient to maintain the WIM against radiative cooling, independent of the nature of the ionizing particles or the detailed shape of their spectrum. Elsewhere in the Galaxy the LECR heating rates may be higher than those measured locally. In particular, higher fluxes of LECR have been suggested for the inner Galactic disk, based on the observed hard X-ray emission, with correspondingly larger heating rates implied for the WIM. We conclude that LECR play an important and perhaps dominant role in the thermal balance of the WIM.

  11. Ionization energy shift of characteristic K x-ray lines from high-Z materials for plasma diagnostics

    SciTech Connect

    Słabkowska, K.; Szymańska, E.; Polasik, M.; Pereira, N. R.; Rzadkiewicz, J.; Seely, J. F.; Weber, B. V.; Schumer, J. W.

    2014-03-15

    The energy of the characteristic x-rays emitted by high atomic number atoms in a plasma that contains energetic electrons depends on the atom's ionization. For tungsten, the ionization energy shift of the L-lines has recently been used to diagnose the plasma's ionization; the change in energy of a K-line has been measured for iridium and observed for ytterbium. Here, we present detailed computations of the ionization energy shift to K-lines of these and an additional element, dysprosium; for these atoms, some K-lines nearly coincide in energy with K-edges of slightly lower Z atoms so that a change in transmission behind a K-edge filter betrays a change in energy. The ionization energy shift of such high-energy K-lines may enable a unique diagnostic when the plasma is inside an otherwise opaque enclosure such as hohlraums used on the National Ignition Facility.

  12. Ionization of hydrogen atoms by multiply charged ions at low energies: The scaling law

    SciTech Connect

    Janev, R.K.; Ivanovski, G.; Solov'ev, E.A. Faculty of Natural Sciences and Mathematics, St. Cyril and Methodius University, P.O. Box 162, 91000 Skopje, Macedonia )

    1994-02-01

    Using the adiabatic superpromotion model of low-energy atomic collisions, a simple scaling relationship is derived for the ionization cross section of hydrogen atoms colliding with multiply charged ions. Detailed ionization-cross-section calculations for the systems H(1[ital s])+He[sup 2+], C[sup 6+], and O[sup 8+] have been performed and used to determine three numerical constants in the cross-section-scaling relationship. The scaled cross section represents well the available data for fully stripped ions with charge [ital Z][ge]2 in the energy region below the cross-section maximum.

  13. Ionization of Water Clusters is Mediated by Exciton Energy Transfer from Argon Clusters

    SciTech Connect

    Golan, Amir; Ahmed, Musahid

    2012-01-25

    The exciton energy deposited in an argon cluster, (Arn ,< n=20>) using VUV radiation is transferred to softly ionize doped water clusters, ((H2O)n, n=1-9) leading to the formation of non-fragmented clusters. Following the initial excitation, electronic energy is channeled to ionize the doped water cluster while evaporating the Ar shell, allowing identification of fragmented and complete water cluster ions. Examination of the photoionization efficiency curve shows that cluster evaporation from excitons located above 12.6 eV are not enough to cool the energized water cluster ion, and leads to their dissociation to (H2O)n-2H+ (protonated) clusters.

  14. Multiply-ionized Atoms at Low Energy for Precise Measurements

    NASA Astrophysics Data System (ADS)

    Fogwell Hoogerheide, Shannon; Tan, Joseph N.

    2014-05-01

    Recent work at NIST introduced a new system for the slowing, capture and manipulation of multiply-ionized atoms in a controlled environment suitable for precision measurements. As a demonstration of its potentials, we have measured the lifetimes of metastable states in krypton and argon (gases), and are now extending this technique to metals such as iron. Work is also underway on a table-top apparatus that incorporates a miniature electron-beam ion trap (EBIT) coupled to a cryo-cooled, compact Penning trap to enable spectroscopic studies of interest for atomic physics, astrophysics, and metrology. This apparatus will allow charge exchange between laser-excited Rydberg rubidium atoms and isolated bare nuclei, opening the way for precision spectroscopy of one-electron ions in Rydberg states using optical frequency comb technology. Earlier theoretical work at NIST has shown that such measurements would provide a new determination of the Rydberg constant that was independent of the proton radius. Such a measurement could help resolve the proton-radius puzzle. Additional applications could include the study of very-long-lived atomic states proposed for new atomic frequency standards or laboratory studies of potential time variation of the fine structure constant. SFH acknowledges funding through a National Research Council Reseach Associateship award.

  15. Comparison of Internal Energy Distributions of Ions Created by Electrospray Ionization and Laser Ablation-Liquid Vortex Capture-Electrospray Ionization

    SciTech Connect

    Cahill, John F.; Kertesz, Vilmos; Ovchinnikova, Olga S.; Van Berkel, Gary J.

    2015-06-27

    Recently a number of techniques have combined laser ablation with liquid capture for mass spectrometry spot sampling and imaging applications. The newly developed non-contact liquid-vortex capture probe has been used to efficiently collect 355 nm UV laser ablated material in a continuous flow solvent stream in which the captured material dissolves and then undergoes electrospray ionization. This sampling and ionization approach has produced what appear to be classic electrospray ionization spectra; however, the softness of this sampling/ionization process versus simple electrospray ionization has not been definitely determined. A series of benzlypyridinium salts, known as thermometer ions, were used to compare internal energy distributions between electrospray ionization and the UV laser ablation liquid-vortex capture probe electrospray combination. Measured internal energy distributions were identical between the two techniques, even with differences in laser fluence (0.7-3.1 J cm-2) and when using UV-absorbing or non-UV-absorbing sample substrates. This data indicates ions formed directly by UV laser ablation, if any, are likely an extremely small constituent of the total ion signal observed. Instead, neutral molecules, clusters or particulates ejected from the surface during laser ablation, subsequently captured and dissolved in the flowing solvent stream then electrosprayed are the predominant source of ion signal observed. The electrospray ionization process used controls the softness of the technique.

  16. Comparison of Internal Energy Distributions of Ions Created by Electrospray Ionization and Laser Ablation-Liquid Vortex Capture-Electrospray Ionization

    DOE PAGES

    Cahill, John F.; Kertesz, Vilmos; Ovchinnikova, Olga S.; ...

    2015-06-27

    Recently a number of techniques have combined laser ablation with liquid capture for mass spectrometry spot sampling and imaging applications. The newly developed non-contact liquid-vortex capture probe has been used to efficiently collect 355 nm UV laser ablated material in a continuous flow solvent stream in which the captured material dissolves and then undergoes electrospray ionization. This sampling and ionization approach has produced what appear to be classic electrospray ionization spectra; however, the softness of this sampling/ionization process versus simple electrospray ionization has not been definitely determined. A series of benzlypyridinium salts, known as thermometer ions, were used to comparemore » internal energy distributions between electrospray ionization and the UV laser ablation liquid-vortex capture probe electrospray combination. Measured internal energy distributions were identical between the two techniques, even with differences in laser fluence (0.7-3.1 J cm-2) and when using UV-absorbing or non-UV-absorbing sample substrates. This data indicates ions formed directly by UV laser ablation, if any, are likely an extremely small constituent of the total ion signal observed. Instead, neutral molecules, clusters or particulates ejected from the surface during laser ablation, subsequently captured and dissolved in the flowing solvent stream then electrosprayed are the predominant source of ion signal observed. The electrospray ionization process used controls the softness of the technique.« less

  17. Nonconstant ponderomotive energy in above-threshold ionization by intense short laser pulses

    NASA Astrophysics Data System (ADS)

    Della Picca, R.; Gramajo, A. A.; Garibotti, C. R.; López, S. D.; Arbó, D. G.

    2016-02-01

    We analyze the contribution of the quiver kinetic energy acquired by an electron in an oscillating electric field of a short laser pulse to the energy balance in atomic ionization processes. Due to the time dependence of this additional kinetic energy, a temporal average is assumed to preserve a stationary energy conservation rule, which is used to predict the position of the energy peaks observed in the photoelectron (PE) spectra. For a plane wave and a flattop pulse, the mean value of the quiver energy over the whole pulse leads to the concept of ponderomotive energy Up. However, for a short pulse with a fast changing intensity, the stationary approximation loses its validity. We check these concepts by studying first the PE spectrum within the semiclassical model (SCM) for multiple-step pulses. The SCM offers the possibility to establish a connection between emission times and the PE spectrum in the energy domain. We show that PE substructures stem from ionization at different times mapping the pulse envelope. We also analyze the PE spectrum for a realistic sine-squared envelope within the Coulomb-Volkov and ab initio calculations solving the time-dependent Schrödinger equation. We found that the electron emission amplitudes produced at different times interfere with each other producing, in this way, a new additional pattern that modulates the above-threshold ionization (ATI) peaks.

  18. Determination of the ionization energy of vanadium levels in zinc selenide

    SciTech Connect

    Makhniy, V. P.; Kinzerskaya, O. V.

    2012-02-15

    By comparing the experimental spectra of optical absorption and photoconductivity with those calculated using the Lucovsky formulas, it is established that the V impurity in ZnSe forms acceptor levels with the ionization energy 0.62 eV.

  19. Elastic, excitation, ionization and charge transfer cross sections of current interest in fusion energy research

    SciTech Connect

    Schultz, D.R.; Krstic, P.S.

    1996-12-31

    Due to the present interest in modeling and diagnosing the edge and divertor plasma regions in magnetically confined fusion devices, we have sought to provide new calculations regarding the elastic, excitation, ionization, and charge transfer cross sections in collisions among relevant ions, neutrals, and isotopes in the low- to intermediate-energy regime. We summarize here some of our recent work.

  20. Relating polarizability to volume, ionization energy, electronegativity, hardness, moments of momentum, and other molecular properties

    SciTech Connect

    Blair, Shamus A.; Thakkar, Ajit J.

    2014-08-21

    Semiquantitative relationships between the mean static dipole polarizability and other molecular properties such as the volume, ionization energy, electronegativity, hardness, and moments of momentum are explored. The relationships are tested using density functional theory computations on the 1641 neutral, ground-state, organic molecules in the TABS database. The best polarizability approximations have median errors under 5%.

  1. Cataract after exposure to non-ionizing radiant energy.

    PubMed

    Zaret, M M; Snyder, W Z; Birenbaum, L

    1976-09-01

    The case histories of two individuals exposed to thermal radiation emitted from an electric oven and range were presented. In one patient, earlier exposure to medical diathermy appears to have initiated delayed or late-appearing, capsular cataracts. Instead of the anticipated slow progression, the cataractogenesis was accelerated following recent, repeated exposure to the intense, infrared radiation. In the other patient, exposed solely to infrared radiation, a chorioretinal lesion indistinguishable from the type characteristically secondary to repeated, thermal radiation was observed. More recently, the earliest sign of thermal radiation cataractogenesis, capsular opacification, has become evident. The widespread availability of radiant energy sources such as diathermy machines, microwave ovens, and electric ovens and ranges makes it imperative to examine carefully any possible hazards that may result from their use. With this in mind, radiant energy should be considered in the differential diagnosis of cataractogenesis.

  2. Use of thin ionization calorimeters for measurements of cosmic ray energy spectra

    NASA Technical Reports Server (NTRS)

    Jones, W. V.; Ormes, J. S.; Schmidt, W. K. H.

    1976-01-01

    The reliability of performing measurements of cosmic ray energy spectra with a thin ionization calorimeter was investigated. Monte Carlo simulations were used to determine whether energy response fluctuations would cause measured spectra to be different from the primary spectra. First, Gaussian distributions were assumed for the calorimeter energy resolutions. The second method employed a detailed Monte Carlo simulation of cascades from an isotropic flux of protons. The results show that as long as the energy resolution does not change significantly with energy, the spectral indices can be reliably determined even for sigma sub e/e = 50%. However, if the energy resolution is strongly energy dependent, the measured spectra do not reproduce the true spectra. Energy resolutions greatly improving with energy result in measured spectra that are too steep, while resolutions getting much worse with energy cause the measured spectra to be too flat.

  3. Accurate energy levels for singly ionized platinum (Pt II)

    NASA Technical Reports Server (NTRS)

    Reader, Joseph; Acquista, Nicolo; Sansonetti, Craig J.; Engleman, Rolf, Jr.

    1988-01-01

    New observations of the spectrum of Pt II have been made with hollow-cathode lamps. The region from 1032 to 4101 A was observed photographically with a 10.7-m normal-incidence spectrograph. The region from 2245 to 5223 A was observed with a Fourier-transform spectrometer. Wavelength measurements were made for 558 lines. The uncertainties vary from 0.0005 to 0.004 A. From these measurements and three parity-forbidden transitions in the infrared, accurate values were determined for 28 even and 72 odd energy levels of Pt II.

  4. Surface ionization mass spectrometry of drugs in the thermal and hyperthermal energy range -- a comparative study

    NASA Astrophysics Data System (ADS)

    Dagan, Shai; Amirav, Aviv; Fujü, Toshihiro

    1995-12-01

    Thermal and hyperthermal surface ionization (SI) mass spectra of nicotine, caffeine and lidocaine were obtained using a rhenium oxide surface. Thermal surface ionization was studied on an oxidized surface positioned inside an electron impact ion source, while hyperthermal surface ionization (HSI) was obtained upon seeding the compounds into a hydrogen or helium supersonic molecular beam that scattered from the rhenium oxide surface. Both HSI and SI provide rich, informative and complementary mass spectral information. The results indicate that SI follows thermal dissociation processes on the surface prior to the desorption of the ion, while in HSI no thermal equilibrium is established and the ionization process is impulsive, followed by mostly unimolecular ion dissociation. HSI mass spectra are similar to electron impact mass spectra in the fragment ion masses, but the observed relative intensities are different. HSI is a softer ionization method compared to SI, and enables the degree of ion fragmentation to be tuned so that it can be minimized to a low level at low molecular kinetic energy. In SI, limited control over the degree of fragmentation is possible through the surface temperature. The analytical mass spectrometric applications of SI and HSI are briefly mentioned.

  5. On the accuracy of density functional theory and wave function methods for calculating vertical ionization energies

    SciTech Connect

    McKechnie, Scott; Booth, George H.; Cohen, Aron J.; Cole, Jacqueline M.

    2015-05-21

    The best practice in computational methods for determining vertical ionization energies (VIEs) is assessed, via reference to experimentally determined VIEs that are corroborated by highly accurate coupled-cluster calculations. These reference values are used to benchmark the performance of density functional theory (DFT) and wave function methods: Hartree-Fock theory, second-order Møller-Plesset perturbation theory, and Electron Propagator Theory (EPT). The core test set consists of 147 small molecules. An extended set of six larger molecules, from benzene to hexacene, is also considered to investigate the dependence of the results on molecule size. The closest agreement with experiment is found for ionization energies obtained from total energy difference calculations. In particular, DFT calculations using exchange-correlation functionals with either a large amount of exact exchange or long-range correction perform best. The results from these functionals are also the least sensitive to an increase in molecule size. In general, ionization energies calculated directly from the orbital energies of the neutral species are less accurate and more sensitive to an increase in molecule size. For the single-calculation approach, the EPT calculations are in closest agreement for both sets of molecules. For the orbital energies from DFT functionals, only those with long-range correction give quantitative agreement with dramatic failing for all other functionals considered. The results offer a practical hierarchy of approximations for the calculation of vertical ionization energies. In addition, the experimental and computational reference values can be used as a standardized set of benchmarks, against which other approximate methods can be compared.

  6. Low energy electron-impact ionization of hydrogen atom for coplanar equal-energy-sharing kinematics in Debye plasmas

    NASA Astrophysics Data System (ADS)

    Li, Jun; Zhang, Song Bin; Ye, Bang Jiao; Wang, Jian Guo; Janev, R. K.

    2016-12-01

    Low energy electron-impact ionization of hydrogen atom in Debye plasmas has been investigated by employing the exterior complex scaling method. The interactions between the charged particles in the plasma have been represented by Debye-Hückel potentials. Triple differential cross sections (TDCS) in the coplanar equal-energy-sharing geometry at an incident energy of 15.6 eV for different screening lengths are reported. As the screening strength increases, TDCS change significantly. The evolutions of dominant typical peak structures of the TDCS are studied in detail for different screening lengths and for different coplanar equal-energy-sharing geometries.

  7. AN ASSESSMENT OF THE ENERGY BUDGETS OF LOW-IONIZATION NUCLEAR EMISSION REGIONS

    SciTech Connect

    Eracleous, Michael; Hwang, Jason A.; Flohic, Helene M. L. G.

    2010-03-10

    Using the spectral energy distributions (SEDs) of the weak active galactic nuclei (AGNs) in 35 low-ionization nuclear emission regions (LINERs) presented in a companion paper, we assess whether photoionization by the weak AGN can power the emission-line luminosities measured through the large (few-arcsecond) apertures used in ground-based spectroscopic surveys. Spectra taken through such apertures are used to define LINERs as a class and constrain non-stellar photoionization models for LINERs. Therefore, our energy budget test is a self-consistency check of the idea that the observed emission lines are powered by an AGN. We determine the ionizing luminosities and photon rates by integrating the observed SEDs and by scaling a template SED. We find that even if all ionizing photons are absorbed by the line-emitting gas, more than half of the LINERs in this sample suffer from a deficit of ionizing photons. In 1/3 of LINERs the deficit is severe. If only 10% of the ionizing photons are absorbed by the gas, there is an ionizing photon deficit in 85% of LINERs. We disfavor the possibility that additional electromagnetic power, either obscured or emitted in the unobservable far-UV band, is available from the AGN. Therefore, we consider other power sources such as mechanical heating by compact jets from the AGN and photoionization by either young or old stars. Photoionization by young stars may be important in a small fraction of cases. Mechanical heating can provide enough power in most cases but it is not clear how this power would be transferred to the emission-line gas. Photoionization by post asymptotic giant branch stars is an important power source; it provides more ionizing photons than the AGN in more than half of the LINERs and enough ionizing photons to power the emission lines in 1/3 of the LINERs. It appears likely that the emission-line spectra of LINERs obtained from the ground include the sum of emission from different regions where different power sources

  8. Dissociation and multiple ionization energies for five polycyclic aromatic hydrocarbon molecules

    NASA Astrophysics Data System (ADS)

    Holm, A. I. S.; Johansson, H. A. B.; Cederquist, H.; Zettergren, H.

    2011-01-01

    We have performed density functional theory calculations for a range of neutral, singly, and multiply charged polycyclic aromatic hydrocarbons (PAHs), and their fragmentation products for H-, H^+-, C_2H_2-, and C_2H_2^+-emissions. The adiabatic and vertical ionization energies follow linear dependencies as functions of charge state for all five intact PAHs (naphthalene, biphenylene, anthracene, pyrene, and coronene). First estimates of the total ionization and fragmentation cross sections in ion-PAH collisions display markedly different size dependencies for pericondensed and catacondensed PAH species, reflecting differences in their first ionization energies. The dissociation energies show that the PAH^{q+}-molecules are thermodynamically stable for q ⩽ 2 (naphthalene, biphenylene, and anthracene), q ⩽ 3 (pyrene), and q ⩽ 4 (coronene). PAHs in charge states above these limits may also survive experimental time scales due to the presence of reaction barriers as deduced from explorations of the potential energy surface regions for H^+-emissions from all five PAHs and for C_2H_2+-emission from naphthalene - the smallest PAH.

  9. The excitation energies, ionization potentials, and oscillator strengths of neutral and ionized species of Uuq (Z=114) and the homolog elements Ge, Sn, and Pb.

    PubMed

    Yu, Y J; Dong, C Z; Li, J G; Fricke, B

    2008-03-28

    Multiconfiguration Dirac-Fock method is employed to calculate the excitation energies, ionization potentials, oscillator strengths, and radii for all neutral and up to four times ionized species of element Uuq, as well as the homolog elements Ge, Sn, and Pb. Using an extrapolative scheme, improved ionization potentials of Uuq were obtained with an uncertainty of less than 2000 cm(-1). Two relatively stronger resonance transitions are predicted for the element Uuq. In particular, the strongest line in Uuq, corresponding to the [6d(10)7s(2)7p(3/2)8s(1/2)](1)-->[6d(10)7s(2)7p(3/2)(2)](2) transition at 22 343 cm(-1), just lies in the prime energy region of experimental measurement.

  10. Charge transfer and ionization in collisions of Si{sup 3+} with H from low to high energy

    SciTech Connect

    Wang, J. G.; He, B.; Ning, Y.; Liu, C. L.; Yan, J.; Stancil, P. C.; Schultz, D. R.

    2006-11-15

    Charge transfer processes due to collisions of ground state Si{sup 3+}(3s {sup 1}S) ions with atomic hydrogen are investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) and classical-trajectory Monte Carlo (CTMC) methods. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained from Herrero et al. [J. Phys. B 29, 5583 (1996)] which were calculated with a full configuration-interaction method. Total and state-selective single-electron capture cross sections are obtained for collision energies from 0.01 eV/u to 1 MeV/u. Total and state-selective rate coefficients are also presented for temperatures from 2x10{sup 3} K to 10{sup 7} K. Comparison with existing data reveals that the total CTMC cross sections are in good agreement with the experimental measurements at the higher considered energies and that previous Landau-Zener calculations underestimate the total rate coefficients by a factor of up to two. The CTMC calculations of target ionization are presented for high energies.

  11. Spectrum and ionization rate of low-energy Galactic cosmic rays

    NASA Astrophysics Data System (ADS)

    Nath, Biman B.; Gupta, Nayantara; Biermann, Peter L.

    2012-09-01

    We consider the rate of ionization of diffuse and molecular clouds in the interstellar medium by Galactic cosmic rays (GCRs) in order to constrain its low-energy spectrum. We extrapolate the GCR spectrum obtained from PAMELA at high energies (≥200 GeV nucleon-1) and a recently derived GCR proton flux at 1-200 GeV from observations of gamma-rays from molecular clouds, and find that the observed average Galactic ionization rate can be reconciled with this GCR spectrum if there is a low-energy cut-off for protons at 10-100 MeV. We also identify the flattening below a few GeV as being due to (a) decrease of the diffusion coefficient and dominance of convective loss at low energy and (b) the expected break in energy spectrum for a constant spectral index in momentum. We show that the inferred CR proton spectrum of ? for Ekin≤ few GeV is consistent with a power-law spectrum in momentum p-2.45± 0.4, which we identify as the spectrum at source. Diffusion loss at higher energies then introduces a steepening by E-α with α˜ 1/3, making it consistent with high-energy measurements.

  12. Quantum Computational Calculations of the Ionization Energies of Acidic and Basic Amino Acids: Aspartate, Glutamate, Arginine, Lysine, and Histidine

    NASA Astrophysics Data System (ADS)

    de Guzman, C. P.; Andrianarijaona, M.; Lee, Y. S.; Andrianarijaona, V.

    An extensive knowledge of the ionization energies of amino acids can provide vital information on protein sequencing, structure, and function. Acidic and basic amino acids are unique because they have three ionizable groups: the C-terminus, the N-terminus, and the side chain. The effects of multiple ionizable groups can be seen in how Aspartate's ionizable side chain heavily influences its preferred conformation (J Phys Chem A. 2011 April 7; 115(13): 2900-2912). Theoretical and experimental data on the ionization energies of many of these molecules is sparse. Considering each atom of the amino acid as a potential departing site for the electron gives insight on how the three ionizable groups affect the ionization process of the molecule and the dynamic coupling between the vibrational modes. In the following study, we optimized the structure of each acidic and basic amino acid then exported the three dimensional coordinates of the amino acids. We used ORCA to calculate single point energies for a region near the optimized coordinates and systematically went through the x, y, and z coordinates of each atom in the neutral and ionized forms of the amino acid. With the calculations, we were able to graph energy potential curves to better understand the quantum dynamic properties of the amino acids. The authors thank Pacific Union College Student Association for providing funds.

  13. Highly correlated systems. Ionization energies of first row transition metals Sc--Zn

    SciTech Connect

    Raghavachari, K.; Trucks, G. W.

    1989-08-15

    The low-lying ionization potentials of the first row transition metal atoms Sc--Zn are calculated using fourth-order Moller--Plesset perturbation theory (MP4) and quadratic configuration interaction (QCI) techniques with large /ital spd/ and /ital spdf/ basis sets. Two ionic states have been considered for each atom yielding a total of 20 different ionization processes which we have included in this study. For Sc/sup +/--Cu/sup +/, the ionic states considered have /ital d//sup /ital n/s//sup 1/ and /ital d//sup /ital n/+1/ orbital occupations and for Zn/sup +/, the /ital d//sup 10//ital s1/ and /ital d//sup 9//ital s2/ states were studied. The MP4 method accurately reproduces the ionization potentials of Sc--Fe, but is found to be inadequate for Co--Zn. In contrast, the QCI technique performs uniformly for all ionization energies with a mean deviation from experiment of only 0.13 eV (with the /ital spdf/ basis set) after inclusion of relativistic corrections.

  14. Electron residual energy due to stochastic heating in field-ionized plasma

    SciTech Connect

    Khalilzadeh, Elnaz; Yazdanpanah, Jam Chakhmachi, Amir; Jahanpanah, Jafar; Yazdani, Elnaz

    2015-11-15

    The electron residual energy originated from the stochastic heating in under-dense field-ionized plasma is investigated here. Initially, the optical response of plasma is modeled by using two counter-propagating electromagnetic waves. In this case, the solution of motion equation of a single electron indicates that by including the ionization, the electron with higher residual energy compared with that without ionization could be obtained. In agreement with chaotic nature of the motion, it is found that the electron residual energy will be significantly changed by applying a minor change in the initial conditions. Extensive kinetic 1D-3V particle-in-cell simulations have been performed in order to resolve full plasma reactions. In this way, two different regimes of plasma behavior are observed by varying the pulse length. The results indicate that the amplitude of scattered fields in a proper long pulse length is high enough to act as a second counter-propagating wave and trigger the stochastic electron motion. On the contrary, the analyses of intensity spectrum reveal the fact that the dominant scattering mechanism tends to Thomson rather than Raman scattering by increasing the pulse length. A covariant formalism is used to describe the plasma heating so that it enables us to measure electron temperature inside and outside of the pulse region.

  15. Electron residual energy due to stochastic heating in field-ionized plasma

    NASA Astrophysics Data System (ADS)

    Khalilzadeh, Elnaz; Yazdanpanah, Jam; Jahanpanah, Jafar; Chakhmachi, Amir; Yazdani, Elnaz

    2015-11-01

    The electron residual energy originated from the stochastic heating in under-dense field-ionized plasma is investigated here. Initially, the optical response of plasma is modeled by using two counter-propagating electromagnetic waves. In this case, the solution of motion equation of a single electron indicates that by including the ionization, the electron with higher residual energy compared with that without ionization could be obtained. In agreement with chaotic nature of the motion, it is found that the electron residual energy will be significantly changed by applying a minor change in the initial conditions. Extensive kinetic 1D-3V particle-in-cell simulations have been performed in order to resolve full plasma reactions. In this way, two different regimes of plasma behavior are observed by varying the pulse length. The results indicate that the amplitude of scattered fields in a proper long pulse length is high enough to act as a second counter-propagating wave and trigger the stochastic electron motion. On the contrary, the analyses of intensity spectrum reveal the fact that the dominant scattering mechanism tends to Thomson rather than Raman scattering by increasing the pulse length. A covariant formalism is used to describe the plasma heating so that it enables us to measure electron temperature inside and outside of the pulse region.

  16. Evidence for e+e - to gammaetac(1S) at center-of-mass energies between 4.01 and 4.60 GeV at BESIII

    NASA Astrophysics Data System (ADS)

    Lara, Manuel

    This dissertation shows the first evidence of the process e +e- → gammaeta c(1S) using data collected by the BESIII experiment operating at BEPCII. This process can be used as a probe to study the nature of recently discovered charmonium-like Y states between 4.0 and 4.6 GeV, including the Y(4260) and Y(4360). Data collected at six center-of-mass energies are analyzed, namely: 4.01, 4.23, 4.26, 4.36, 4.42, and 4.60 GeV, corresponding to a total integrated luminosity of 4.6 fb-1. We measure the Born cross section, sigma E(e+e - → gammaetac(1 S)), at each energy using a combination of twelve eta c(1S) decay channels. Because the significance of the signal is marginal at each energy (≤ 3.0sigma), we also combine all six energies under various assumptions for the energy-dependence of the cross section. If a Y(4260) is assumed, we measure sigma4 .26(e+e- → gammaetac(1S)) = 2.11 +/- 0.49 (stat.) +/- 0.33 (syst.) pb with a significance of 4.2sigma. With our current statistics we are unable to distinguish the Y(4260) process from others.

  17. Extended bulk defects induced by low-energy ions during partially ionized beam deposition

    SciTech Connect

    Lee, W.I.; Wong, J.; Borrego, J.M.; Lu, T.

    1988-08-15

    The study of possible defects generated by low-energy ions during partially ionized beam (PIB) depositions was performed. No defects were observed when acceleration voltage was set lower than 1 kV. Surprisingly, several deep levels were detected up to the depth of 4000 A in the 3-kV sample. However, these levels can be annealed out at a relatively low temperature of 400 /sup 0/C. It is concluded in this study that, by properly choosing the ion energy range, PIB deposition will not cause severe damage to the substrate and can be a viable technique for growing heterostructures.

  18. Residual energy in optical-field-ionized plasmas with the longitudinal motion of electrons included.

    PubMed

    He, Bin; Chang, Tie-Qiang

    2005-06-01

    The space-charge effect on the residual energy of electrons in optical-field-ionized plasmas is studied in detail by an extended simplified model and the cloud-in-cell simulation, with the longitudinal motion of electrons included. It is found that in moderate conditions the space-charge field can influence the residual energy of electrons effectively by matching the space-charge field with laser pulse. The effect of stimulated Raman scattering on electron temperature is also investigated in detail. Finally, a comparison is made between the results and experimental data.

  19. Free-air ionization chamber, FAC-IR-300, designed for medium energy X-ray dosimetry

    NASA Astrophysics Data System (ADS)

    Mohammadi, S. M.; Tavakoli-Anbaran, H.; Zeinali, H. Z.

    2017-01-01

    The primary standard for X-ray photons is based on parallel-plate free-air ionization chamber (FAC). Therefore, the Atomic Energy Organization of Iran (AEOI) is tried to design and build the free-air ionization chamber, FAC-IR-300, for low and medium energy X-ray dosimetry. The main aim of the present work is to investigate specification of the FAC-IR-300 ionization chamber and design it. FAC-IR-300 dosimeter is composed of two parallel plates, a high voltage (HV) plate and a collector plate, along with a guard electrode that surrounds the collector plate. The guard plate and the collector were separated by an air gap. For obtaining uniformity in the electric field distribution, a group of guard strips was used around the ionization chamber. These characterizations involve determining the exact dimensions of the ionization chamber by using Monte Carlo simulation and introducing correction factors.

  20. Spectrum and energy levels of five-times ionized zirconium (Zr VI)

    NASA Astrophysics Data System (ADS)

    Reader, Joseph; Lindsay, Mark D.

    2016-02-01

    We carried out a new analysis of the spectrum of five-times-ionized zirconium Zr VI. For this we used sliding-spark discharges together with normal- and grazing-incidence spectrographs to observe the spectrum from 160 to 2000 Å. These observations showed that the analysis of this spectrum by Khan et al (1985 Phys. Scr. 31 837) contained a significant number of incorrect energy levels. We have now classified ∼420 lines as transitions between 23 even-parity levels 73 odd-parity levels. The 4s24p5, 4s4p6, 4s24p44d, 5s, 5d, 6s configurations are now complete, although a few levels of 4s24p45d are tentative. We determined Ritz-type wavelengths for ∼135 lines from the optimized energy levels. The uncertainties range from 0.0003 to 0.0020 Å. Hartree–Fock calculations and least-squares fits of the energy parameters to the observed levels were used to interpret the observed configurations. Oscillator strengths for all classified lines were calculated with the fitted parameters. The results are compared with values for the level energies, percentage compositions, and transition probabilities from recent ab initio theoretical calculations. The ionization energy was revised to 777 380 ± 300 cm‑1 (96.38 ± 0.04 eV).

  1. Comparison of plasma excitation, ionization, and energy influx in single and dual frequency capacitive discharges

    NASA Astrophysics Data System (ADS)

    Sahu, B. B.; Han, Jeon G.

    2016-12-01

    Argon (Ar) plasma characteristics in a single and dual-frequency (DF), capacitively coupled plasma processing system are compared for drive frequencies 13.56 MHz, 320 MHz and their mixture as dual frequencies (DF). We present frequency dependent changes that occur in discharges in terms of plasma parameters such as plasma density, electron temperature, electron energy distribution function, optical emission, gas temperature, and metastable Ar density in a pressure range of 10-150 mTorr. Additionally, this work also presents the formulation and characterization of energy fluxes from plasma to a substrate/probe during the plasma generation. By variation of the operating pressure and plasma excitation frequency, the different contributions originating from the kinetic energy, the recombination of charge carriers such as electrons and ions at the surface along with the contributions from the neutral and excited species are determined. Data reveals that Ar metastable density in low-frequency radio frequency (RF) plasma is not a strong function of operating pressure even though plasma ionization increases with pressure. However, in the case of high-frequency and DF, the excitation of Ar metastable decreases and ionization increases due to enhanced collisions and efficient electron-neutral momentum/energy transfer. Also, data reveals that energy flux in the low-frequency RF plasmas is very high compared to that of high-frequency and DF operations.

  2. High-kinetic-energy photoemission spectroscopy of Ni at 1s : 6-eV satellite at 4 eV

    NASA Astrophysics Data System (ADS)

    Karis, O.; Svensson, S.; Rusz, J.; Oppeneer, P. M.; Gorgoi, M.; Schäfers, F.; Braun, W.; Eberhardt, W.; Mårtensson, N.

    2008-12-01

    Electron correlations are responsible for many profound phenomena in solid-state physics. A classical example is the 6-eV satellite in the photoelectron spectrum of Ni. Until now the satellite structure has only been investigated at the L shell and more shallow levels. Here we report a high-kinetic-energy photoemission spectroscopy (HIKE) investigation of Ni metal. We present 1s and 2p photoelectron spectra, obtained using excitation energies up to 12.6 keV. Our investigation demonstrates that the energy position of the satellite relative to the main line is different for the 1s and the 2p levels. In combination with electronic structure calculations, we show that this energy shift is attributed to unique differences in the core-valence coupling for the K and L2,3 shells in 3d transition metals, resulting in different screening of the core holes.

  3. The energy and momentum input of supernova explosions in structured and ionized molecular clouds

    NASA Astrophysics Data System (ADS)

    Walch, Stefanie; Naab, Thorsten

    2015-08-01

    We investigate the early impact of single and binary supernova (SN) explosions on dense gas clouds with three-dimensional, high-resolution, hydrodynamic simulations. The effect of cloud structure, radiative cooling and ionizing radiation from the progenitor stars on the net input of kinetic energy, fkin = Ekin/ESN, thermal energy, ftherm = Etherm/ESN, and gas momentum, fP = P/PSN, to the interstellar medium (ISM) is tested. For clouds with bar{n} = 100cm^{-3}, the momentum generating Sedov and pressure-driven snowplough phases are terminated early (∝0.01 Myr) and radiative cooling limits the coupling to ftherm ˜ 0.01, fkin ˜ 0.05, and fP ˜ 9, significantly lower than for the case without cooling. For pre-ionized clouds, these numbers are only increased by ˜50 per cent, independent of the cloud structure. This only suffices to accelerate ˜5 per cent of the cloud to radial velocities ≳30 km s-1. A second SN might enhance the coupling efficiencies if delayed past the Sedov phase of the first explosion. Such very low coupling efficiencies cast doubts on many subresolution models for SN feedback, which are, in general, validated a posteriori. Ionizing radiation appears not to significantly enhance the coupling of SNe to the surrounding gas as it drives the ISM into inert dense shells and cold clumps, a process which is unresolved in galaxy-scale simulations. Our results indicate that the momentum input of SNe in ionized, structured clouds is larger (more than a factor of 10) than the corresponding momentum yield of the progenitor's stellar winds.

  4. Communication: Importance of rotationally inelastic processes in low-energy Penning ionization of CHF3.

    PubMed

    Jankunas, Justin; Jachymski, Krzysztof; Hapka, Michał; Osterwalder, Andreas

    2016-06-14

    Low energy reaction dynamics can strongly depend on the internal structure of the reactants. The role of rotationally inelastic processes in cold collisions involving polyatomic molecules has not been explored so far. Here we address this problem by performing a merged-beam study of the He((3)S1)+CHF3 Penning ionization reaction in a range of collision energies E/kB = 0.5-120 K. The experimental cross sections are compared with total reaction cross sections calculated within the framework of quantum defect theory. We find that the broad range of collision energies combined with the relatively small rotational constants of CHF3 makes rotationally inelastic collisions a crucial player in the total reaction dynamics. Quantitative agreement between theory and experiment is only obtained if the energy-dependent probability for rotational excitation is included in the calculations, in stark contrast to previous experiments where classical scaling laws were able to describe the results.

  5. Communication: Importance of rotationally inelastic processes in low-energy Penning ionization of CHF3

    NASA Astrophysics Data System (ADS)

    Jankunas, Justin; Jachymski, Krzysztof; Hapka, Michał; Osterwalder, Andreas

    2016-06-01

    Low energy reaction dynamics can strongly depend on the internal structure of the reactants. The role of rotationally inelastic processes in cold collisions involving polyatomic molecules has not been explored so far. Here we address this problem by performing a merged-beam study of the He(3S1)+CHF3 Penning ionization reaction in a range of collision energies E/kB = 0.5-120 K. The experimental cross sections are compared with total reaction cross sections calculated within the framework of quantum defect theory. We find that the broad range of collision energies combined with the relatively small rotational constants of CHF3 makes rotationally inelastic collisions a crucial player in the total reaction dynamics. Quantitative agreement between theory and experiment is only obtained if the energy-dependent probability for rotational excitation is included in the calculations, in stark contrast to previous experiments where classical scaling laws were able to describe the results.

  6. Theoretical study of energy deposition in ionization chambers for tritium measurements

    SciTech Connect

    Chen, Zhilin; Peng, Shuming; Meng, Dan; He, Yuehong; Wang, Heyi

    2013-10-15

    Energy deposition in ionization chambers has been theoretically studied for tritium measurements in gaseous form. A one-dimension model is introduced to establish the quantitative relationship between energy deposition rate and many factors, including carrier gas, gas pressure, wall material, chamber size, and gas temperature. Energy deposition rate has been calculated at pressure varying from 5 kPa to 500 kPa based on some approximations. It is found that energy deposition rate varies greatly for different parameters, especially at low gas pressure. For the same chamber, energy deposition rate in argon is much higher than in deuterium, as much as 70.7% higher at 5 kPa. Gold plated chamber gives highest energy deposition rate in the calculations while aluminum chamber results in the lowest. As chamber size gets smaller, β ray emitted by tritium will deposit less energy in the sensitive region of the chamber. For chambers flowing through with the same gas, energy deposition rate in a 10 L chamber is 23.9% higher than in a 0.05 L chamber at 5 kPa. Gas temperature also places slight influence on energy deposition rate, and 373 K will lead to 6.7% lower deposition rate than 233 K at 5 kPa. In addition, experiments have been performed to obtain energy deposition rate in a gold plated chamber, which show good accordance with theoretical calculations.

  7. Theoretical study of energy deposition in ionization chambers for tritium measurements

    NASA Astrophysics Data System (ADS)

    Chen, Zhilin; Peng, Shuming; Meng, Dan; He, Yuehong; Wang, Heyi

    2013-10-01

    Energy deposition in ionization chambers has been theoretically studied for tritium measurements in gaseous form. A one-dimension model is introduced to establish the quantitative relationship between energy deposition rate and many factors, including carrier gas, gas pressure, wall material, chamber size, and gas temperature. Energy deposition rate has been calculated at pressure varying from 5 kPa to 500 kPa based on some approximations. It is found that energy deposition rate varies greatly for different parameters, especially at low gas pressure. For the same chamber, energy deposition rate in argon is much higher than in deuterium, as much as 70.7% higher at 5 kPa. Gold plated chamber gives highest energy deposition rate in the calculations while aluminum chamber results in the lowest. As chamber size gets smaller, β ray emitted by tritium will deposit less energy in the sensitive region of the chamber. For chambers flowing through with the same gas, energy deposition rate in a 10 L chamber is 23.9% higher than in a 0.05 L chamber at 5 kPa. Gas temperature also places slight influence on energy deposition rate, and 373 K will lead to 6.7% lower deposition rate than 233 K at 5 kPa. In addition, experiments have been performed to obtain energy deposition rate in a gold plated chamber, which show good accordance with theoretical calculations.

  8. Hardness assurance for proton direct ionization-induced SEEs using a high-energy proton beam

    SciTech Connect

    Dodds, Nathaniel Anson; Schwank, James R.; Shaneyfelt, Marty R.; Dodd, Paul E.; Doyle, Barney Lee; Trinczek, M.; Blackmore, E. W.; Rodbell, K. P.; Reed, R. A.; Pellish, J. A.; LaBel, K. A.; Marshall, P. W.; Swanson, Scot E.; Vizkelethy, Gyorgy; Van Deusen, Stuart B.; Sexton, Frederick W.; Martinez, Marino J.; Gordon, M. S.

    2014-11-06

    The low-energy proton energy spectra of all shielded space environments have the same shape. This shape is easily reproduced in the laboratory by degrading a high-energy proton beam, producing a high-fidelity test environment. We use this test environment to dramatically simplify rate prediction for proton direct ionization effects, allowing the work to be done at high-energy proton facilities, on encapsulated parts, without knowledge of the IC design, and with little or no computer simulations required. Proton direct ionization (PDI) is predicted to significantly contribute to the total error rate under the conditions investigated. Scaling effects are discussed using data from 65-nm, 45-nm, and 32-nm SOI SRAMs. These data also show that grazing-angle protons will dominate the PDI-induced error rate due to their higher effective LET, so PDI hardness assurance methods must account for angular effects to be conservative. As a result, we show that this angular dependence can be exploited to quickly assess whether an IC is susceptible to PDI.

  9. Hardness assurance for proton direct ionization-induced SEEs using a high-energy proton beam

    DOE PAGES

    Dodds, Nathaniel Anson; Schwank, James R.; Shaneyfelt, Marty R.; ...

    2014-11-06

    The low-energy proton energy spectra of all shielded space environments have the same shape. This shape is easily reproduced in the laboratory by degrading a high-energy proton beam, producing a high-fidelity test environment. We use this test environment to dramatically simplify rate prediction for proton direct ionization effects, allowing the work to be done at high-energy proton facilities, on encapsulated parts, without knowledge of the IC design, and with little or no computer simulations required. Proton direct ionization (PDI) is predicted to significantly contribute to the total error rate under the conditions investigated. Scaling effects are discussed using data frommore » 65-nm, 45-nm, and 32-nm SOI SRAMs. These data also show that grazing-angle protons will dominate the PDI-induced error rate due to their higher effective LET, so PDI hardness assurance methods must account for angular effects to be conservative. As a result, we show that this angular dependence can be exploited to quickly assess whether an IC is susceptible to PDI.« less

  10. Use of relativistic rise in ionization chambers for measurement of high energy heavy nuclei

    NASA Technical Reports Server (NTRS)

    Barthelmy, S. D.; Israel, M. H.; Klarmann, J.; Vogel, J. S.

    1983-01-01

    A balloon-borne instrument has been constructed to measure the energy spectra of cosmic-ray heavy nuclei in the range of about 0.3 to about 100 GeV/amu. It makes use of the relativistic rise portion of the Bethe-Bloch curve in ionization chambers for energy determination in the 10- to 100-GeV/amu interval. The instrument consists of six layers of dual-gap ionization chambers for energy determination above 10 GeV/amu. Charge is determined with a NE114 scintillator and a Pilot 425 plastic Cerenkov counter. A CO2 gas Cerenkov detector (1 atm; threshold of 30 GeV/amu) calibrates the ion chambers in the relativistic rise region. The main emphasis of the instrument is the determination of the change of the ratio of Iron (26) to the Iron secondaries (21-25) in the energy range of 10 to 100 GeV/amu. Preliminary data from a balloon flight in the fall of 1982 from Palestine, TX is presented.

  11. Distributions of deposited energy and ionization clusters around ion tracks studied with Geant4 toolkit.

    PubMed

    Burigo, Lucas; Pshenichnov, Igor; Mishustin, Igor; Hilgers, Gerhard; Bleicher, Marcus

    2016-05-21

    The Geant4-based Monte Carlo model for Heavy-Ion Therapy (MCHIT) was extended to study the patterns of energy deposition at sub-micrometer distance from individual ion tracks. Dose distributions for low-energy (1)H, (4)He, (12)C and (16)O ions measured in several experiments are well described by the model in a broad range of radial distances, from 0.5 to 3000 nm. Despite the fact that such distributions are characterized by long tails, a dominant fraction of deposited energy (∼80%) is confined within a radius of about 10 nm. The probability distributions of clustered ionization events in nanoscale volumes of water traversed by (1)H, (2)H, (4)He, (6)Li, (7)Li, and (12)C ions are also calculated. A good agreement of calculated ionization cluster-size distributions with the corresponding experimental data suggests that the extended MCHIT can be used to characterize stochastic processes of energy deposition to sensitive cellular structures.

  12. Quantitative analysis of molecular surfaces: areas, volumes, electrostatic potentials and average local ionization energies.

    PubMed

    Bulat, Felipe A; Toro-Labbé, Alejandro; Brinck, Tore; Murray, Jane S; Politzer, Peter

    2010-11-01

    We describe a procedure for performing quantitative analyses of fields f(r) on molecular surfaces, including statistical quantities and locating and evaluating their local extrema. Our approach avoids the need for explicit mathematical representation of the surface and can be implemented easily in existing graphical software, as it is based on the very popular representation of a surface as collection of polygons. We discuss applications involving the volumes, surface areas and molecular surface electrostatic potentials, and local ionization energies of a group of 11 molecules.

  13. Low-energy triple differential cross sections for electron-impact ionization of helium

    NASA Astrophysics Data System (ADS)

    Chen, Zhangjin; Zhang, Suimeng; Shi, Qicun; Chen, Ji; Xu, Kezun

    1997-11-01

    The BBK model is modified by the introduction of effective Sommerfeld parameters for both symmetric and asymmetric geometries on an empirical basis, while still maintaining the philosophy that all three Coulomb interactions are included on an equal footing. The triple differential cross sections for electron-impact ionization of atomic helium at an incident energy of 40 eV in an asymmetric geometry are calculated. Results of this approach are compared with the absolute measurements and the only existing theoretical results of the convergent close-coupling method.

  14. COMPREHENSIVE OBSERVATIONS OF THE ULTRAVIOLET SPECTRUM AND IMPROVED ENERGY LEVELS FOR SINGLY IONIZED CHROMIUM (Cr II)

    SciTech Connect

    Sansonetti, Craig J.; Nave, Gillian; Reader, Joseph; Kerber, Florian

    2012-10-15

    We report new observations of the spectrum of singly ionized chromium (Cr II) in the region 1142-3954 A. The spectra were recorded with the National Institute of Standards and Technology 10.7 m normal-incidence vacuum spectrograph and FT700 vacuum ultraviolet Fourier transform spectrometer. More than 3600 lines are classified as transitions among 283 even and 368 odd levels. The new spectral data are used to re-optimize the energy levels, reducing their uncertainties by a typical factor of 20.

  15. Comprehensive Observations of the Ultraviolet Spectrum and Improved Energy Levels for Singly Ionized Chromium (Cr II)

    NASA Astrophysics Data System (ADS)

    Sansonetti, Craig J.; Nave, Gillian; Reader, Joseph; Kerber, Florian

    2012-10-01

    We report new observations of the spectrum of singly ionized chromium (Cr II) in the region 1142-3954 Å. The spectra were recorded with the National Institute of Standards and Technology 10.7 m normal-incidence vacuum spectrograph and FT700 vacuum ultraviolet Fourier transform spectrometer. More than 3600 lines are classified as transitions among 283 even and 368 odd levels. The new spectral data are used to re-optimize the energy levels, reducing their uncertainties by a typical factor of 20.

  16. Potential Energy Curves and Collisions Integrals of Air Components. 2; Interactions Involving Ionized Atoms

    NASA Technical Reports Server (NTRS)

    Stallcop, James R.; Partridge, Harry; Levin, Eugene; Langhoff, Stephen R. (Technical Monitor)

    1995-01-01

    Collision integrals are fundamental quantities required to determine the transport properties of the environment surrounding aerospace vehicles in the upper atmosphere. These collision integrals can be determined as a function of temperature from the potential energy curves describing the atomic and molecular collisions. Ab initio calculations provide a practical method of computing the required interaction potentials. In this work we will discuss recent advances in scattering calculations with an emphasis on the accuracy that is obtainable. Results for interactions of the atoms and ionized atoms of nitrogen and oxygen will be reviewed and their application to the determination of transport properties, such as diffusion and viscosity coefficients, will be examined.

  17. An equation of state for partially ionized plasmas: The Coulomb contribution to the free energy

    NASA Astrophysics Data System (ADS)

    Kilcrease, D. P.; Colgan, J.; Hakel, P.; Fontes, C. J.; Sherrill, M. E.

    2015-09-01

    We have previously developed an equation of state (EOS) model called ChemEOS (Hakel and Kilcrease, Atomic Processes in Plasmas, Eds., J. Cohen et al., AIP, 2004) for a plasma of interacting ions, atoms and electrons. It is based on a chemical picture of the plasma and is derived from an expression for the Helmholtz free energy of the interacting species. All other equilibrium thermodynamic quantities are then obtained by minimizing this free energy subject to constraints, thus leading to a thermodynamically consistent EOS. The contribution to this free energy from the Coulomb interactions among the particles is treated using the method of Chabrier and Potekhin (Phys. Rev. E 58, 4941 (1998)) which we have adapted for partially ionized plasmas. This treatment is further examined and is found to give rise to unphysical behavior for various elements at certain values of the density and temperature where the Coulomb coupling begins to become significant and the atoms are partially ionized. We examine the source of this unphysical behavior and suggest corrections that produce acceptable results. The sensitivity of the thermodynamic properties and frequency-dependent opacity of iron is examined with and without these corrections. The corrected EOS is used to determine the fractional ion populations and level populations for a new generation of OPLIB low-Z opacity tables currently being prepared at Los Alamos National Laboratory with the ATOMIC code.

  18. Complex time contours in tunnel ionization and low-energy structures

    NASA Astrophysics Data System (ADS)

    Pisanty, Emilio; Ivanov, Misha

    2015-03-01

    In tunnel ionization, a strong low-frequency laser field removes an electron from an atom by setting up a slowly-varying potential energy barrier that the electron can tunnel through. During its subsequent oscillations in the laser field, the electron can revisit the neighbourhood of the remaining ion one or more times. Frequently, this is a soft recollision which affects the momentum distribution, although more substantial effects can happen. We use the Analytical R-Matrix theory to investigate the effect of these soft recollisions, focusing on low drift momenta, where the laser-induced trajectory has a turning point near the nucleus. Our framework provides a complex-valued trajectory perspective on the electron propagation, from first principles. We show that the presence of the Coulomb interaction, which is responsible for the soft recollisions, forbids certain common choices of contour within the complex time plane, and we describe an algorithm for safely circumventing the associated branch cuts. We find quantum analogues to the classical turning points near the ion, and we investigate their relation to the recently-discovered low-energy and very-low-energy structures in above-threshold ionization. We acknowledge funding from CONACYT (Mexico) and the MC-ITN CORINF network.

  19. An equation of state for partially ionized plasmas: The Coulomb contribution to the free energy

    DOE PAGES

    Kilcrease, D. P.; Colgan, J.; Hakel, P.; ...

    2015-06-20

    We have previously developed an equation of state (EOS) model called ChemEOS (Hakel and Kilcrease, Atomic Processes in Plasmas, Eds., J. Cohen et al., AIP, 2004) for a plasma of interacting ions, atoms and electrons. It is based on a chemical picture of the plasma and is derived from an expression for the Helmholtz free energy of the interacting species. All other equilibrium thermodynamic quantities are then obtained by minimizing this free energy subject to constraints, thus leading to a thermodynamically consistent EOS. The contribution to this free energy from the Coulomb interactions among the particles is treated using themore » method of Chabrier and Potekhin (Phys. Rev. E 58, 4941 (1998)) which we have adapted for partially ionized plasmas. This treatment is further examined and is found to give rise to unphysical behavior for various elements at certain values of the density and temperature where the Coulomb coupling begins to become significant and the atoms are partially ionized. We examine the source of this unphysical behavior and suggest corrections that produce acceptable results. The sensitivity of the thermodynamic properties and frequency-dependent opacity of iron is examined with and without these corrections. Lastly, the corrected EOS is used to determine the fractional ion populations and level populations for a new generation of OPLIB low-Z opacity tables currently being prepared at Los Alamos National Laboratory with the ATOMIC code.« less

  20. An equation of state for partially ionized plasmas: The Coulomb contribution to the free energy

    SciTech Connect

    Kilcrease, D. P.; Colgan, J.; Hakel, P.; Fontes, C. J.; Sherrill, M. E.

    2015-06-20

    We have previously developed an equation of state (EOS) model called ChemEOS (Hakel and Kilcrease, Atomic Processes in Plasmas, Eds., J. Cohen et al., AIP, 2004) for a plasma of interacting ions, atoms and electrons. It is based on a chemical picture of the plasma and is derived from an expression for the Helmholtz free energy of the interacting species. All other equilibrium thermodynamic quantities are then obtained by minimizing this free energy subject to constraints, thus leading to a thermodynamically consistent EOS. The contribution to this free energy from the Coulomb interactions among the particles is treated using the method of Chabrier and Potekhin (Phys. Rev. E 58, 4941 (1998)) which we have adapted for partially ionized plasmas. This treatment is further examined and is found to give rise to unphysical behavior for various elements at certain values of the density and temperature where the Coulomb coupling begins to become significant and the atoms are partially ionized. We examine the source of this unphysical behavior and suggest corrections that produce acceptable results. The sensitivity of the thermodynamic properties and frequency-dependent opacity of iron is examined with and without these corrections. Lastly, the corrected EOS is used to determine the fractional ion populations and level populations for a new generation of OPLIB low-Z opacity tables currently being prepared at Los Alamos National Laboratory with the ATOMIC code.

  1. Ab initio Study on Ionization Energies of 3-Amino-1-propanol

    NASA Astrophysics Data System (ADS)

    Wang, Ke-dong; Jia, Ying-bin; Lai, Zhen-jiang; Liu, Yu-fang

    2011-06-01

    Fourteen conformers of 3-amino-1-propanol as the minima on the potential energy surface are examined at the MP2/6-311++G** level. Their relative energies calculated at B3LYP, MP3 and MP4 levels of theory indicated that two most stable conformers display the intramolecular OH···N hydrogen bonds. The vertical ionization energies of these conformers calculated with ab initio electron propagator theory in the P3/aug-cc-pVTZ approximation are in agreement with experimental data from photoelectron spectroscopy. Natural bond orbital analyses were used to explain the differences of IEs of the highest occupied molecular ortibal of conformers. Combined with statistical mechanics principles, conformational distributions at various temperatures are obtained and the temperature dependence of photoelectron spectra is interpreted.

  2. Radiation and ionization energy loss simulation for the GDH sum rule experiment in Hall-A at Jefferson Lab

    DOE PAGES

    Yan, Xin -Hu; Ye, Yun -Xiu; Chen, Jian -Ping; ...

    2015-07-17

    The radiation and ionization energy loss are presented for single arm Monte Carlo simulation for the GDH sum rule experiment in Hall-A at Jefferson Lab. Radiation and ionization energy loss are discussed formore » $$^{12}C$$ elastic scattering simulation. The relative momentum ratio $$\\frac{\\Delta p}{p}$$ and $$^{12}C$$ elastic cross section are compared without and with radiation energy loss and a reasonable shape is obtained by the simulation. The total energy loss distribution is obtained, showing a Landau shape for $$^{12}C$$ elastic scattering. This simulation work will give good support for radiation correction analysis of the GDH sum rule experiment.« less

  3. Radiation and ionization energy loss simulation for the GDH sum rule experiment in Hall-A at Jefferson Lab

    SciTech Connect

    Yan, Xin -Hu; Ye, Yun -Xiu; Chen, Jian -Ping; Lu, Hai -Jiang; Zhu, Peng -Jia; Jiang, Feng -Jian

    2015-07-17

    The radiation and ionization energy loss are presented for single arm Monte Carlo simulation for the GDH sum rule experiment in Hall-A at Jefferson Lab. Radiation and ionization energy loss are discussed for $^{12}C$ elastic scattering simulation. The relative momentum ratio $\\frac{\\Delta p}{p}$ and $^{12}C$ elastic cross section are compared without and with radiation energy loss and a reasonable shape is obtained by the simulation. The total energy loss distribution is obtained, showing a Landau shape for $^{12}C$ elastic scattering. This simulation work will give good support for radiation correction analysis of the GDH sum rule experiment.

  4. Inhibition of G{sub 1}-phase arrest induced by ionizing radiation in hematopoietic cells by overexpression of genes involved in the G{sub 1}/S-phase transition

    SciTech Connect

    Epperly, M.; Berry, L.; Halloran, A.; Greenberger, J.S. |

    1995-09-01

    D-type cyclins and cyclin-dependent kinase (cdk-4) are likely involved in regulating passage of cells through the G{sub 1} phase of the cell cycle. A decrease in the proportion of cells in G{sub 1}, a relatively radiation-sensitive phase of the cell cycle, should result in increased resistance to ionizing radiation; however, the effect of such overexpression on X-ray-induced G{sub 1}-phase arrest is not known. Radiation survival curves were obtained at a dose rate of either 8 cGy/min or 1 Gy/min for subclones of the IL-3-dependent hematopoietic progenitor cell line 32D cl 3 expressing transgenes for either cyclin-D1, D2 or D3 or cdk-4. We compared the results to those with overexpression of the transgene for Bcl-2, whose expression enhances radiation survival and delays apoptosis. Cells overexpressing transgenes for each D-type cyclin or Bcl-2 had an increased number of cells in S phase compared to parent line 32D cl 3; however, overexpression of cdk-4 had no effect on cell cycle distribution. Cell death resulting from withdrawal of IL-3 was not affected by overexpression of D2, cdk-4 or Bcl-2. Flow cytometry 24 h after 5 Gy irradiation demonstrated that overexpression of each G{sub 1}-phase regulatory transgene decreased the proportion of cells at the G{sub 1}/S-phase border. Western analysis revealed induction of cyclin-D protein levels by irradiation, but no change in the D{sub O}, but a significant increase in the {rvec n} for cyclin-D or cdk-4 transgene-overexpressing clones at 1 Gy/min (P<0.017). At a lower dose rate of 8 cGy/min, the {rvec n} for cyclin or cdk-4-overexpressing clones was also increased (P<0.7). Thus overexpression of cyclin-D or cdk-4 in hematopoietic cells induces detectable effects on hematopoietic cell radiation biology including a broadening of the shoulder on the radiation survival curve and a decrease in radiation-induced G{sub 1}/S-phase arrest. 31 refs., 4 figs., 4 tabs.

  5. Cross sections for ionization of tetrahydrofuran by protons at energies between 300 and 3000 keV

    NASA Astrophysics Data System (ADS)

    Wang, Mingjie; Rudek, Benedikt; Bennett, Daniel; de Vera, Pablo; Bug, Marion; Buhr, Ticia; Baek, Woon Yong; Hilgers, Gerhard; Rabus, Hans

    2016-05-01

    Double-differential cross sections for ionization of tetrahydrofuran by protons with energies from 300 to 3000 keV were measured at the Physikalisch-Technische Bundesanstalt ion accelerator facility. The electrons emitted at angles between 15∘ and 150∘ relative to the ion-beam direction were detected with an electrostatic hemispherical electron spectrometer. Single-differential and total ionization cross sections have been derived by integration. The experimental results are compared to the semiempirical Hansen-Kocbach-Stolterfoht model as well as to the recently reported method based on the dielectric formalism. The comparison to the latter showed good agreement with experimental data in a broad range of emission angles and energies of secondary electrons. The scaling property of ionization cross sections for tetrahydrofuran was also investigated. Compared to molecules of different size, the ionization cross sections of tetrahydrofuran were found to scale with the number of valence electrons at large impact parameters.

  6. Direct determination of the ionization energies of FeO and CuO with VUV radiation.

    PubMed

    Metz, Ricardo B; Nicolas, Christophe; Ahmed, Musahid; Leone, Stephen R

    2005-09-15

    Photoionization efficiency curves were measured for gas-phase FeO and CuO using tunable vacuum-ultraviolet radiation at the Advanced Light Source. The molecules are prepared using laser ablation of a metal-oxide powder in a novel high-repetition-rate source and are thermally moderated in a supersonic expansion. These measurements provide the first directly measured ionization energy for CuO, IE(CuO)=9.41 +/- 0.01 eV. The direct measurement also gives a greatly improved ionization energy for FeO, IE(FeO) = 8.56 +/- 0.01 eV. The ionization energy connects the dissociation energies of the neutral and cation, leading to a refined bond strength for the FeO cation: D0(Fe(+)-O)=3.52 +/- 0.02 eV. A dramatic increase in the photoionization cross section at energies of 0.36 eV above the threshold ionization energy is assigned to autoionization and direct ionization involving one or more low-lying quartet states of FeO+. The interaction between the sextet ground state and low-lying quartet states of FeO+ is key to understanding the oxidation of hydrogen and methane by FeO+, and these experiments provide the first experimental observation of the low-lying quartet states of FeO+.

  7. Direct Determination of the Ionization Energies of PtC, PtO, and PtO2 with VUVRadiation

    SciTech Connect

    Citir, Murat; Metz, Ricardo B.; Belau, Leonid; Ahmed, Musahid

    2008-07-21

    Photoionization efficiency curves were measured for gas-phase PtC, PtO, and PtO2 using tunable vacuum ultraviolet (VUV) radiation at the Advanced Light Source. The molecules were prepared by laser ablation of a platinum tube, followed by reaction with CH4 or N2O and supersonic expansion. These measurements providethe first directly measured ionization energy for PtC, IE(PtC) = 9.45 +- 0.05 eV. The direct measurement also gives greatly improved ionization energies for the platinum oxides, IE(PtO) = 10.0 +- 0.1 eV and IE(PtO2) = 11.35 +- 0.05 eV. The ionization energy connects the dissociation energies of the neutral and cation, leading to greatly improved 0 K bond dissociation energies for the neutrals: D0(Pt-C) = 5.95 +- 0.07 eV, D0(Pt-O)= 4.30 +- 0.12 eV, and D0(OPt-O) = 4.41 +- 0.13 eV, as well as enthalpies of formation for the gas-phase molecules Delta H0 f,0(PtC(g)) = 701 +- 7 kJ/mol, Delta H0f,0(PtO(g)) = 396 +- 12 kJ/mol, and Delta H0f,0(PtO2(g)) = 218 +- 11 kJ/mol. Much of the error in previous Knudsen cell measurements of platinum oxide bond dissociation energies is due to the use of thermodynamic second law extrapolations. Third law values calculated using statistical mechanical thermodynamic functions are in much better agreement with values obtained from ionization energies and ion energetics. These experiments demonstrate that laser ablation production with direct VUV ionization measurements is a versatile tool to measure ionization energies and bond dissociation energies for catalytically interesting species such as metal oxides and carbides.

  8. Low-energy ionization cooling of ions for beta beam sources

    SciTech Connect

    Neuffer, David; /Fermilab

    2007-10-01

    Rubbia et al.[1] have recently suggested that multiturn passage of a low-energy ion beam (v/c {approx_equal} 0.1) through a low-Z target can be used in the production of ions useable for beta-beam sources and that ionization cooling techniques can increase the circulating beam lifetime and thus enhance that production. Some parameters in their initial discussion are somewhat optimistic, and the conditions for 3-D cooling are not completely developed. In the present paper we reconsider some features of the scenarios and suggest some variations that may be more practical. While 3-D cooling is possible at these energies, mixing of longitudinal motion with both horizontal and vertical motion is necessary to obtain simultaneous cooling in all dimensions; we suggest lattice variations that would be needed. Direct and reverse kinematics are described and explored.

  9. Lookup tables to compute high energy cosmic ray induced atmospheric ionization and changes in atmospheric chemistry

    SciTech Connect

    Atri, Dimitra; Melott, Adrian L.; Thomas, Brian C. E-mail: melott@ku.edu

    2010-05-01

    A variety of events such as gamma-ray bursts and supernovae may expose the Earth to an increased flux of high-energy cosmic rays, with potentially important effects on the biosphere. Existing atmospheric chemistry software does not have the capability of incorporating the effects of substantial cosmic ray flux above 10 GeV. An atmospheric code, the NASA-Goddard Space Flight Center two-dimensional (latitude, altitude) time-dependent atmospheric model (NGSFC), is used to study atmospheric chemistry changes. Using CORSIKA, we have created tables that can be used to compute high energy cosmic ray (10 GeV–1 PeV) induced atmospheric ionization and also, with the use of the NGSFC code, can be used to simulate the resulting atmospheric chemistry changes. We discuss the tables, their uses, weaknesses, and strengths.

  10. Energy-Dependent Ionization States of Shock-Accelerated Particles in the Solar Corona

    NASA Technical Reports Server (NTRS)

    Reames, Donald V.; Ng, C. K.; Tylka, A. J.

    2000-01-01

    We examine the range of possible energy dependence of the ionization states of ions that are shock-accelerated from the ambient plasma of the solar corona. If acceleration begins in a region of moderate density, sufficiently low in the corona, ions above about 0.1 MeV/amu approach an equilibrium charge state that depends primarily upon their speed and only weakly on the plasma temperature. We suggest that the large variations of the charge states with energy for ions such as Si and Fe observed in the 1997 November 6 event are consistent with stripping in moderately dense coronal. plasma during shock acceleration. In the large solar-particle events studied previously, acceleration occurs sufficiently high in the corona that even Fe ions up to 600 MeV/amu are not stripped of electrons.

  11. Displacement damage and predicted non-ionizing energy loss in GaAs

    NASA Astrophysics Data System (ADS)

    Gao, Fei; Chen, Nanjun; Hernandez-Rivera, Efrain; Huang, Danhong; LeVan, Paul D.

    2017-03-01

    Large-scale molecular dynamics (MD) simulations, along with bond-order interatomic potentials, have been applied to study the defect production for lattice atom recoil energies from 500 eV to 20 keV in gallium arsenide (GaAs). At low energies, the most surviving defects are single interstitials and vacancies, and only 20% of the interstitial population is contained in clusters. However, a direct-impact amorphization in GaAs occurs with a high degree of probability during the cascade lifetime for Ga PKAs (primary knock-on atoms) with energies larger than 2 keV. The results reveal a non-linear defect production that increases with the PKA energy. The damage density within a cascade core is evaluated, and used to develop a model that describes a new energy partition function. Based on the MD results, we have developed a model to determine the non-ionizing energy loss (NIEL) in GaAs, which can be used to predict the displacement damage degradation induced by space radiation on electronic components. The calculated NIEL predictions are compared with the available data, thus validating the NIEL model developed in this study.

  12. Photoelectron angular distributions of H ionization in low energy regime: Comparison between different potentials

    NASA Astrophysics Data System (ADS)

    Song, Shu-Na; Liang, Hao; Peng, Liang-You; Jiang, Hong-Bing

    2016-09-01

    We theoretically investigate the low energy part of the photoelectron spectra in the tunneling ionization regime by numerically solving the time-dependent Schrdinger equation for different atomic potentials at various wavelengths. We find that the shift of the first above-threshold ionization (ATI) peak is closely related to the interferences between electron wave packets, which are controlled by the laser field and largely independent of the potential. By gradually changing the short-range potential to the long-range Coulomb potential, we show that the long-range potential’s effect is mainly to focus the electrons along the laser’s polarization and to generate the spider structure by enhancing the rescattering process with the parent ion. In addition, we find that the intermediate transitions and the Rydberg states have important influences on the number and the shape of the lobes near the threshold. Project supported by the National Natural Science Foundation of China (Grant Nos. 11322437 and 11574010) and the National Basic Research Program of China (Grant No. 2013CB922402).

  13. Comprehensive Wavelengths, Energy Levels, and Hyperfine Structure Parameters of Singly-Ionized Iron-Group Elements

    NASA Astrophysics Data System (ADS)

    Nave, Gillian

    We propose to measure wavelengths, energy levels, and hyperfine structure parameters of Ni II, Mn II, Sc II and other singly-ionized iron-group elements, covering the wavelength range 80 nm to 5500 nm. We shall use archival data from spectrometers at NIST and Kitt Peak National Observatory for spectra above 140 nm. Additional experimental observations will be taken if needed using Fourier transform spectrometers at NIST. Spectra will be taken using our normal incidence grating spectrograph to provide better sensitivity than the FT spectra and to extend the wavelength range down to 80 nm. We aim to produce a comprehensive description of the spectra of all singly-ionized iron- group elements. The wavelength uncertainty of the strong lines will be better than 1 part in 10^7. For most singly-ionized iron-group elements available laboratory data have uncertainties an order of magnitude larger than astronomical observations over wide spectra ranges. Some of these laboratory measurements date back to the 1960's. Since then, Fourier transform spectroscopy has made significant progress in improving the accuracy and quantity of data in the UV-vis-IR region, but high quality Fourier transform spectra are still needed for Mn II, Ni II and Sc II. Fourier transform spectroscopy has low sensitivity in the VUV region and is limited to wavelengths above 140 nm. Spectra measured with high-resolution grating spectrographs are needed in this region in order to obtain laboratory data of comparable quality to the STIS and COS spectrographs on the Hubble Space Telescope. Currently, such data exist only for Fe II and Cr II. Lines of Sc II, V II, and Mn II show hyperfine structure, but hyperfine structure parameters have been measured for relatively few lines of these elements. Significant errors can occur if hyperfine structure is neglected when abundances are determined from stellar spectra. Measurements of hyperfine structure parameters will be made using Fourier transform spectroscopy

  14. Energy levels of neutral and singly ionized berkelium, /sup 249/Bk I and II

    SciTech Connect

    Worden, E.F.; Conway, J.G.; Blaise, J.

    1987-09-01

    Energy-level analyses of the observed emission spectrum of berkelium have yielded 179 odd and 186 even levels of neutral berkelium Bk I, and 42 odd and 117 even levels of singly ionized berkelium Bk II. The levels are tabulated with the J value, the g value, the configuration and hyperfine constants A and B, and the width given for many of the levels. The ground states of Bk I and Bk II are (Rn)5f/sup 9/7s/sup 2/ /sup 6/H/sup 0//sub 15/2/ and (Rn)5f/sup 9/7s /sup 7/H/sup 0//sub 8/, respectively. A table lists the lowest level of each identified electronic configuration of Bk I and Bk II.

  15. Dynamics of transfer ionization in p -He collisions at intermediate energies

    NASA Astrophysics Data System (ADS)

    Guo, D. L.; Ma, X.; Zhang, S. F.; Zhu, X. L.; Feng, W. T.; Zhang, R. T.; Gao, Y.; Hai, B.; Zhang, M.; Qian, D. B.; Yan, S.; Zhang, P.

    2017-02-01

    We have performed a kinematically complete experiment for transfer ionization, i.e., the capture of one target electron by the projectile accompanied by the ejection of a second electron, for 50-100 keV p -He collisions by means of a reaction microscope. It was found that the electron momentum distribution projected onto the scattering plane is consistent with the prediction of an independent two-step mechanism involving a binary encounter. The deviation of the electron momentum distribution from the ideal binary ridge is attributed to binding energy effects and the interaction between the electron and the residual recoil ion. The good agreement between our measurements with the dynamic-screening classical trajectory Monte-Carlo calculations strongly suggests that electron-electron correlations play an important role in this two-electron process.

  16. Detection of High Energy Cosmic Rays with Advanced Thin Ionization Calorimeter, ATIC

    NASA Technical Reports Server (NTRS)

    Adams, J. H.; Ahn, E. J.; Ahn, H. S.; Bashindzhagyan, G.; Case, G.; Chang, J.; Christl, M.; Ellison, S.; Fazely, A. R.; Ganel, O.

    2002-01-01

    The author presents preliminary results of the first flight of the Advanced Thin Ionization Calorimeter (ATIC). ATIC is a multiple, long duration balloon flight, investigation for the study of cosmic ray spectra from below 50 GeV to near 100 TeV total energy, using a fully active Bismuth Germanate (BGO) calorimeter. It is equipped with the first large area mosaic of small fully depleted silicon detector pads capable of charge identification of cosmic rays from H to Fe. As a redundancy check for the charge identification and a coarse particle tracking system, three projective layers of x-y scintillator hodoscopes were employed, above, in the center and below a Carbon interaction 'target'.

  17. Towards More Accurate Measurements of the Ionization Energy of Molecular Hydrogen

    NASA Astrophysics Data System (ADS)

    Sprecher, D.; Beyer, M.; Liu, J.; Merkt, F.; Salumbides, E.; Eikema, K. S. E.; Ubachs, W.; Jungen, Ch.

    2013-06-01

    With two electrons and two protons, molecular hydrogen is the simplest molecule displaying all features of a chemical bond. H_2 is therefore a fundamental system for testing molecular quantum mechanics and quantum electrodynamics in molecules. The test can be performed by comparing measured and calculated intervals between different rovibronic states of H_2. Two further quantities that can be used for this test are the dissociation and ionization energies of H_2, and considerable efforts have been invested over more than 80 years to improve the precision and accuracy of experimental and theoretical determination of these two quantities. The current status of the comparison is that the theoretical and experimental values of the ionization and dissociation energies of H_2 agree within the combined uncertainty of 30 MHz (see also). The factors currently limiting the precision of the experimental determination will be discussed and the strategies that are being implemented towards overcoming these limitations will be presented. A long-term goal is to achieve a precision of better than 15 kHz, which is the ultimate limit imposed on the accuracy of the theoretical determination by the current uncertainty of the proton-to-electron mass ratio. E. J. Salumbides, G. D. Dickenson, T. I. Ivanov and W. Ubachs, {Phys. Rev. Lett.} 107 (4), 043005 (2011). K. Piszczatowski, G. Lach, M. Przybytek, J. Komasa, K. Pachuckiand and B. Jeziorski, {J. Chem. Theory Comput.} 5 (11), 3039 (2009). J. Liu, E. J. Salumbides, U. Hollenstein, J. C. J. Koelemeij, K. S. E. Eikema, W. Ubachs and F. Merkt, {J. Chem. Phys.} 130 (17), 174306 (2009). D. Sprecher, Ch. Jungen, W. Ubachs and F. Merkt, {Faraday Discuss.} 150, 51 (2011).

  18. Electron ionization cross-section calculations for liquid water at high impact energies

    NASA Astrophysics Data System (ADS)

    Bousis, C.; Emfietzoglou, D.; Hadjidoukas, P.; Nikjoo, H.; Pathak, A.

    2008-04-01

    Cross-sections for the ionization of liquid water is perhaps the most essential set of data needed for modeling electron transport in biological matter. The complexity of ab initio calculations for any multi-electron target has led to largely heuristic semi-empirical models which take advantage elements of the Bethe, dielectric and binary collision theories. In this work we present various theoretical models for calculating total ionization cross-sections (TICSs) for liquid water over the 10 keV-1 MeV electron energy range. In particular, we extend our recent dielectric model calculations for liquid water to relativistic energies using both the appropriate kinematic corrections and the transverse part. Comparisons are made with widely used atomic and molecular TICS models such as those of Khare and co-workers, Kim-Rudd, Deutsch-Märk, Vriens and Gryzinski. The required dipole oscillator strength was provided by our recent optical-data model which is based on the latest experimental data for liquid water. The TICSs computed by the above models differ by up to 40% from the dielectric results. The best agreement (to within ∼10%) was obtained by Khare's original model and an approximate form of Gryzinski's model. In contrast, the binary-encounter-dipole (BED) models of both Kim-Rudd and Khare and co-workers resulted in ∼10-20% higher TICS values, while discrepancies increased to ∼30-40% when their simpler binary-encounter-Bethe (BEB) versions were used. Finally, we discuss to what extent the accuracy of the TICS is indicative of the reliability of the underlying differential cross-sections.

  19. Satellite structure in the Argon 1s photoelectron spectrum

    SciTech Connect

    Azuma, Y.; LeBrun, T.; MacDonald, M.; Southworth, S.H.

    1995-08-01

    Atomic inner-shell photoelectron spectra typically display several relatively weak {open_quotes}satellite peaks{close_quotes} at higher ionization energy than the primary peak. Such satellite peaks are associated with final-state configurations corresponding to ionization of an inner-shell electron and excitation or ionization of one or more valence electrons. The observation of satellite peaks demonstrates that the independent-electron picture is inadequate to describe atomic structure and the photoionization process. The measured energies and intensities of photoelectron satellites provide sensitive tests of many-electron theoretical models. We recorded the Ar 1s photoelectron spectrum on beam line X-24A at an X-ray energy of 3628 eV. The primary peak at 3206 eV ionization energy was recorded at an observed resolution of 1.8 eV (FWHM). The satellite structure shows remarkable similarity to that recorded in the suprathreshold region of the Ar K photoabsorption cross section, demonstrating the manner in which these techniques complement each other. Surprisingly, while the region just above the K threshold in Ar was the subject of several theoretical studies using multi-configuration calculations, we find good agreement between our results and those of Dyall and collaborators using a shake model.

  20. Uncovering the Spectral Energy Distribution in Active Galaxies Using High Ionization Mid-Infrared Emission Lines

    NASA Technical Reports Server (NTRS)

    Melendez, M.; Kraemer, S. B.; Weaver, K. A.; Mushotzky, R. F.

    2011-01-01

    The shape of the spectral energy distribution of active galaxies in the EUV soft X-ray band (13.6 eV to 1 keV) is uncertain because obscuration by dust and gas can hamper our view of the continuum. To investigate the shape of the spectral energy distribution in this energy band, we have generated a set of photoionization models which reproduce the small dispersion found in correlations between high-ionization mid-infrared emission lines in a sample of hard X-ray selected AGN. Our calculations show that a broken power-law continuum model is sufficient to reproduce the [Ne V]14.32 microns/[Ne III], [Ne V]24.32 microns/[O IV]25.89 micron and [O IV] 25.89 microns/[Ne III] ratios, and does not require the addition of a "big bump" EUV model component. We constrain the EUV-soft X-ray slope, alpha(sub i), to be between 1.5 - 2.0 and derive a best fit of alpha(sub i) approx. 1.9 for Seyfert 1 galaxies, consistent with previous studies of intermediate redshift quasars. If we assume a blue bump model, most sources in our sample have derived temperatures between T(sub BB) = 10(exp 5.18) K to 10(exp 5.7) K, suggesting that the peak of this component spans a large range of energies extending from approx. (Lambda)600 A to > (Lambda)1900 A. In this case, the best fitting peak energy that matches the mid-infrared line ratios of Seyfert 1 galaxies occurs between approx. (Lambda)700-(Lambda)1000 A. Despite the fact that our results do not rule out the presence of an EUV bump, we conclude that our power-law model produces enough photons with energies > 4 Ry to generate the observed amount of mid-infrared emission in our sample of BAT AGN.

  1. Indirect dark matter signatures in the cosmic dark ages. II. Ionization, heating, and photon production from arbitrary energy injections

    NASA Astrophysics Data System (ADS)

    Slatyer, Tracy R.

    2016-01-01

    Any injection of electromagnetically interacting particles during the cosmic dark ages will lead to increased ionization, heating, production of Lyman-α photons and distortions to the energy spectrum of the cosmic microwave background, with potentially observable consequences. In this paper we describe numerical results for the low-energy electrons and photons produced by the cooling of particles injected at energies from keV to multi-TeV scales, at arbitrary injection redshifts (but focusing on the post-recombination epoch). We use these data, combined with existing calculations modeling the cooling of these low-energy particles, to estimate the resulting contributions to ionization, excitation and heating of the gas, and production of low-energy photons below the threshold for excitation and ionization. We compute corrected deposition-efficiency curves for annihilating dark matter, and demonstrate how to compute equivalent curves for arbitrary energy-injection histories. These calculations provide the necessary inputs for the limits on dark matter annihilation presented in the accompanying paper I, but also have potential applications in the context of dark matter decay or deexcitation, decay of other metastable species, or similar energy injections from new physics. We make our full results publicly available at http://nebel.rc.fas.harvard.edu/epsilon, to facilitate further independent studies. In particular, we provide the full low-energy electron and photon spectra, to allow matching onto more detailed codes that describe the cooling of such particles at low energies.

  2. Energy-sharing (e ,2 e ) collisions: Ionization of the inert gases in the perpendicular plane

    NASA Astrophysics Data System (ADS)

    Miller, F. K.; Walters, H. R. J.; Whelan, Colm T.

    2015-01-01

    The triple differential cross section for ionization of the inert gases He, Ne, Ar, Kr, and Xe in energy-sharing perpendicular plane geometry is investigated. Encouraging agreement with recent experiments is found using the distorted-wave Born approximation (DWBA). Mechanisms are discussed which explain the He and Ne data but which seem to be masked by the greater distortion effects in the heavier targets. The inclusion of postcollisional interaction is explored using Gamow, Ne e, and Ward-Macek, Me e, factors. While both help to improve the shape of the cross section for He and Ne at the lower energies, they are not successful for the other targets, and both factors prove to be too strong for all the inert gases with increasing impact energy. It is well known that Ne e destroys normalization. Comparing DWBA +Me e results with some absolute experimental points at 1 and 2 eV indicates that it is also not to be trusted on normalization. An interesting situation with Ar is highlighted near 25 eV, where the cross section may be tending towards a strong interference minimum or zero.

  3. Three-dimensional Čerenkov tomography of energy deposition from ionizing radiation beams.

    PubMed

    Glaser, Adam K; Voigt, William H A; Davis, Scott C; Zhang, Rongxiao; Gladstone, David J; Pogue, Brian W

    2013-03-01

    Since its discovery during the 1930s the Čerenkov effect (light emission from charged particles traveling faster than the local speed of light in a dielectric medium) has been paramount in the development of high-energy physics research. The ability of the emitted light to describe a charged particle's trajectory, energy, velocity, and mass has allowed scientists to study subatomic particles, detect neutrinos, and explore the properties of interstellar matter. However, to our knowledge, all applications of the process to date have focused on the identification of particles themselves, rather than their effect upon the surroundings through which they travel. Here we explore a novel application of the Čerenkov effect for the recovery of the spatial distribution of ionizing radiation energy deposition in a medium and apply it to the issue of dose determination in medical physics. By capturing multiple projection images of the Čerenkov light induced by a medical linear accelerator x-ray photon beam, we demonstrate the successful three-dimensional tomographic reconstruction of the imparted dose distribution.

  4. Quantum mechanics/molecular mechanics modeling of photoelectron spectra: the carbon 1s core-electron binding energies of ethanol-water solutions.

    PubMed

    Löytynoja, T; Niskanen, J; Jänkälä, K; Vahtras, O; Rinkevicius, Z; Ågren, H

    2014-11-20

    Using ethanol-water solutions as illustration, we demonstrate the capability of the hybrid quantum mechanics/molecular mechanics (QM/MM) paradigm to simulate core photoelectron spectroscopy: the binding energies and the chemical shifts. An integrated approach with QM/MM binding energy calculations coupled to preceding molecular dynamics sampling is adopted to generate binding energies averaged over the solute-solvent configurations available at a particular temperature and pressure and thus allowing for a statistical assessment with confidence levels for the final binding energies. The results are analyzed in terms of the contributions in the molecular mechanics model-electrostatic, polarization, and van der Waals-with atom or bond granulation of the corresponding MM charge and polarizability force-fields. The role of extramolecular charge transfer screening of the core-hole and explicit hydrogen bonding is studied by extending the QM core to cover the first solvation shell. The results are compared to those obtained from pure electrostatic and polarizable continuum models. Particularly, the dependence of the carbon 1s binding energies with respect to the ethanol concentration is studied. Our results indicate that QM/MM can be used as an all-encompassing model to study photoelectron binding energies and chemical shifts in solvent environments.

  5. Radiation and ionization energy loss simulation for the GDH sum rule experiment in Hall-A at Jefferson Lab

    NASA Astrophysics Data System (ADS)

    Yan, Xin-Hu; Ye, Yun-Xiu; Chen, Jian-Ping; Lu, Hai-Jiang; Zhu, Peng-Jia; Jiang, Feng-Jian

    2015-07-01

    The radiation and ionization energy loss are presented for single arm Monte Carlo simulation for the GDH sum rule experiment in Hall-A at the Jefferson Lab. Radiation and ionization energy loss are discussed for 12C elastic scattering simulation. The relative momentum ratio \\frac{{Δ p}}{p} and 12C elastic cross section are compared without and with radiative energy loss and a reasonable shape is obtained by the simulation. The total energy loss distribution is obtained, showing a Landau shape for 12C elastic scattering. This simulation work will give good support for radiation correction analysis of the GDH sum rule experiment. Supported by National Natural Science Foundation of China (11135002, 11275083), US Department of Energy contract DE-AC05-84ER-40150 under which Jefferson Science Associates operates the Thomas Jefferson National Accelerator Facility and Natural Science Foundation of An'hui Educational Committee (KJ2012B179)

  6. Double L{sub 3}M ionization of Pd induced by impact with medium-energy electrons

    SciTech Connect

    Cao, W.; Dousse, J.-Cl.; Hoszowska, J.; Kayser, Y.; Schenker, J.-L.; Kavcic, M.; Zitnik, M.

    2011-02-15

    The electron-induced L{sub 3}M two-step double ionization cross sections of metallic Pd were determined experimentally for incident electron beam energies ranging from the double ionization threshold up to 18 keV. The double L{sub 3}M ionization cross sections were derived from the intensity ratios (I{sub L{alpha}M}:I{sub L{alpha}}) of the resolved M satellites to the parent diagram lines. The sample was bombarded with monoenergetic electrons from an energy-tunable 20-kV electron gun. The diagram and M-satellite x-ray lines were measured by means of high-resolution x-ray spectroscopy, using a reflection-type von Hamos bent crystal spectrometer. The two-step partial cross sections were determined by subtracting from the measured total double ionization cross sections the contributions due to the shake process and L{sub 1}-L{sub 3}M{sub 4,5} Coster-Kronig transitions. Despite the thick target employed in the present study, the dependence of the two-step cross sections on the incoming electron energy could be derived using a target slice decomposition method. It is shown that the obtained energy dependence can be well reproduced by the semiempirical parametrization model of Pattard and Rost.

  7. The kinetic energy spectrum of protons produced by the dissociative ionization of H2 by electron impact

    NASA Technical Reports Server (NTRS)

    Khakoo, M. A.; Srivastava, S. K.

    1985-01-01

    The kinetic energy spectra of protons resulting from the dissociative ionization of H2 by electron impact have been measured for electron impact energies from threshold (approximately 17 eV) to 160 eV at 90 deg and 30 deg detection angles, using a crossed-beam experimental arrangement. To check reliability, two separate proton energy analysis methods have been employed, i.e., a time-of-flight proton energy analysis and an electrostatic hemispherical energy analyzer. The present results are compared with previous measurements.

  8. K-italic-shell ionization cross sections for Al, Ti, V, Cr, Fe, Ni, Cu, and Ag by protons and oxygen ions in the energy range 0. 3--6. 4 MeV

    SciTech Connect

    Geretschlaeger, M.; Benka, O.

    1986-08-01

    Absolute K-italic-shell ionization cross sections have been measured for thin targets of Al, Ti, and Cu for protons in the energy range 0.3--2.0 MeV and for thin targets of Ti, V, Cr, Fe, Ni, Cu, and Ag for oxygen ions in the energy range 1.36--6.4 Mev. The experimental results are compared to the perturbed-stationary-state (PSS) approximation with energy-loss (E), Coulomb (C), and relativistic (R) corrections, i.e., the ECPSSR approximation (Brandt and Lapicki), to the semiclassical approximation (Laegsgaard, Andersen, and Lund), and to a theory for direct Coulomb ionization of the 1s-italicsigma molecular orbital (Montenegro and Sigaud (MS)). The proton results agree within 3% with empirical reference cross sections. Also, the ECPSSR provides best overall agreement for protons. For oxygen ions, ECPSSR and MS predict experimental results satisfactorily for scaled velocities xi> or =0.4. For lower scaled velocities, the experimental cross sections become considerably higher than theoretical predictions for Coulomb ionization. This deviation increases with increasing Z-italic/sub 1//Z/sub 2/; it cannot be explained by electron transfer to the projectile or by ionization due to target recoil atoms.

  9. Experimental evidence of resonant energy collisional transfers between argon 1s and 2p states and ground state H atoms by laser collisional induced fluorescence

    NASA Astrophysics Data System (ADS)

    Carbone, Emile; van Dijk, Jan; Kroesen, Gerrit

    2015-04-01

    In this paper, laser collisional induced fluorescence (LCIF) is used to probe resonant excitation transfers in an argon/hydrogen plasma resulting from heavy particle collisions. Different radiative transitions between the 1s and 2p states (in Paschen's notation) of argon are optically pumped by a nanosecond laser pulse. The spontaneous fluorescence and collisional responses of the argon and hydrogen systems are monitored by optical emission spectroscopy. A surfatron plasma source is used to generate an argon plasma with a few per cent hydrogen addition at pressures between 0.65 and 20 mbar. The electron density is measured independently by means of Thomson scattering. The overall response of the plasma due to optical pumping of argon is briefly discussed and an overview of the known heteronuclear excitation transfers in an argon/hydrogen plasma is given. The propagation of the shortcut in the Ar(1s) to H(n = 2) excitation transfer due to the optical pumping of the Ar(1s) states is seen in the atomic hydrogen LCIF responses. For the first time, we give direct experimental evidence of the existence of an efficient excitation transfer: Additionally, measurements are performed in order to estimate the resonant energy transfer between the resonant argon 1s states and hydrogen atoms: for which no previously measured cross sections could be found in the literature. These are extra quenching channels of argon 1s and 2p states that should be included in collisional-radiative modeling of argon-hydrogen discharges. The high repetition rate of the dye laser allows us to obtain a high sensitivity in the measurements. LCIF is shown to be a powerful tool for unraveling electron and also heavy particle excitation channels in situ in the plasma phase. The technique was previously developed for measuring electron or species densities locally in the plasma, but we show that it can be advantageously used to probe collisional transfers between very short-lived species which exist

  10. Relation between molecule ionization energy, film thickness and morphology of two indandione derivatives thin films

    NASA Astrophysics Data System (ADS)

    Grzibovskis, Raitis; Vembris, Aivars; Pudzs, Kaspars

    2016-08-01

    Nowadays most organic devices consist of thin (below 100 nm) layers. Information about the morphology and energy levels of thin films at such thickness is essential for the high efficiency devices. In this work we have investigated thin films of 2-(4-[N,N-dimethylamino]-benzylidene)-indene-1,3-dione (DMABI) and 2-(4-(bis(2-(trityloxy)ethyl)amino)benzylidene)-2H-indene-1,3-dione (DMABI-6Ph). DMABI-6Ph is the same DMABI molecule with attached bulky groups which assist formation of amorphous films from solutions. Polycrystalline structure was obtained for the DMABI thin films prepared by thermal evaporation in vacuum and amorphous structure for the DMABI-6Ph films prepared by spin-coating method. Images taken by SEM showed separate crystals or islands at the thickness of the samples below 100 nm. The ionization energy of the studied compounds was determined using photoemission yield spectroscopy. A vacuum level shift of 0.40 eV was observed when ITO electrode was covered with the thin film of the organic compound. Despite of the same active part of the investigated molecules the ITO/DMABI interface is blocking electrons while ITO/DMABI-6Ph interface is blocking holes.

  11. Quantitatively identical orientation-dependent ionization energy and electron affinity of diindenoperylene

    SciTech Connect

    Han, W. N.; Yonezawa, K.; Makino, R.; Kato, K.; Hinderhofer, A.; Ueno, N.; Kera, S.; Murdey, R.; Shiraishi, R.; Yoshida, H.; Sato, N.

    2013-12-16

    Molecular orientation dependences of the ionization energy (IE) and the electron affinity (EA) of diindenoperylene (DIP) films were studied by using ultraviolet photoemission spectroscopy and inverse photoemission spectroscopy. The molecular orientation was controlled by preparing the DIP films on graphite and SiO{sub 2} substrates. The threshold IE and EA of DIP thin films were determined to be 5.81 and 3.53 eV for the film of flat-lying DIP orientation, respectively, and 5.38 and 3.13 eV for the film of standing DIP orientation, respectively. The result indicates that the IE and EA for the flat-lying film are larger by 0.4 eV and the frontier orbital states shift away from the vacuum level compared to the standing film. This rigid energy shift is ascribed to a surface-electrostatic potential produced by the intramolecular polar bond (>C{sup −}-H{sup +}) for standing orientation and π-electron tailing to vacuum for flat-lying orientation.

  12. Dissociative Ionization Mechanism and Appearance Energies in Adipic Acid Revealed by Imaging Photoelectron Photoion Coincidence, Selective Deuteration, and Calculations.

    PubMed

    Heringa, Maarten F; Slowik, Jay G; Prévôt, André S H; Baltensperger, Urs; Hemberger, Patrick; Bodi, Andras

    2016-05-26

    Adipic acid, a model compound for oxygenated organic aerosol, has been studied at the VUV beamline of the Swiss Light Source. Internal energy selected cations were prepared by threshold photoionization using vacuum ultraviolet synchrotron radiation and imaging photoelectron photoion coincidence spectroscopy (iPEPICO). The threshold photoelectron spectrum yields a vertical ionization energy (IE) of 10.5 eV, significantly above the calculated adiabatic IE of 8.6 eV. The cationic minimum is accessible after vertical ionization by H-transfer from one of the γ-carbons to a carbonyl oxygen and is sufficiently energetic to decay by water loss at the ionization onset. The slope of the breakdown curves, quantum chemical calculations, and selective deuteration of the carboxylic hydrogens establish the dissociative photoionization mechanism. After ionization, one γ-methylene hydrogen and the two carboxylic hydrogens are randomized prior to H2O loss. On the basis of the deuteration degree in the H2O + CO-loss product at higher energies, a direct water-loss channel without complete randomization also exists. The breakdown diagram and center of gravity of the H2O + CO-loss peak were modeled to obtain 0 K appearance energies of 10.77, 10.32, and 11.53 eV for H2O + CO loss, CH2COOH loss, and H2O + CH2COOH loss from adipic acid. These agree well with the CBS-QB3 calculated values of 10.68, 10.45, and 11.57 eV, respectively, which shows that threshold photoionization can yield energetics data as long as the dissociation is statistical, even when the parent ion cannot be observed. The results can be used as a starting point for a deeper understanding of the ionization and low-energy fragmentation of organic aerosol components.

  13. Valence ionized states of iron pentacarbonyl and eta5-cyclopentadienyl cobalt dicarbonyl studied by symmetry-adapted cluster-configuration interaction calculation and collision-energy resolved Penning ionization electron spectroscopy.

    PubMed

    Fukuda, Ryoichi; Ehara, Masahiro; Nakatsuji, Hiroshi; Kishimoto, Naoki; Ohno, Koichi

    2010-02-28

    Valence ionized states of iron pentacarbonyl Fe(CO)(5) and eta(5)-cyclopentadienyl cobalt dicarbonyl Co(eta(5)-C(5)H(5))(CO)(2) have been studied by ultraviolet photoelectron spectroscopy, two-dimensional Penning ionization electron spectroscopy (2D-PIES), and symmetry-adapted cluster-configuration interaction calculations. Theory provided reliable assignments for the complex ionization spectra of these molecules, which have metal-carbonyl bonds. Theoretical ionization energies agreed well with experimental observations and the calculated wave functions could explain the relative intensities of PIES spectra. The collision-energy dependence of partial ionization cross sections (CEDPICS) was obtained by 2D-PIES. To interpret these CEDPICS, the interaction potentials between the molecules and a Li atom were examined in several coordinates by calculations. The relation between the slope of the CEDPICS and the electronic structure of the ionized states, such as molecular symmetry and the spatial distribution of ionizing orbitals, was analyzed. In Fe(CO)(5), an attractive interaction was obtained for the equatorial CO, while the interaction for the axial CO direction was repulsive. For Co(eta(5)-C(5)H(5))(CO)(2), the interaction potential in the direction of both Co-C-O and Co-Cp ring was attractive. These anisotropic interactions and ionizing orbital distributions consistently explain the relative slopes of the CEDPICS.

  14. Ionization processes in small quasimolecules: He{sub 2}{sup 2+} (He{sup 2+}+ He)

    SciTech Connect

    Ogurtsov, G. N.; Mikoushkin, V. M.; Ovchinnikov, S. Yu.; Macek, J. H.

    2011-09-15

    The energy spectra of electrons ejected in He{sup 2+}-He collisions were measured in the ion energy range 6-30 keV. Theoretical analysis of the ionization mechanisms has been performed on the basis of the advanced adiabatic approximation for one-electron processes and perturbation theory for two-electron processes. The ionization channel 2p{sigma}{sup 2}{yields} 1s{sigma}nd{sigma}{yields} 1s{sigma}{epsilon}d{sigma} has been revealed, which makes a considerable contribution to the ionization cross section in the keV ion energy range.

  15. Coupled-Sturmian and perturbative treatments of electron transfer and ionization in high-energy p -He sup + collisions

    SciTech Connect

    Winter, T.G. Department of Physics, Rice University, Houston, Texas 77251 ); Alston, S.G. )

    1992-02-01

    Cross sections have been determined for electron transfer and ionization in collisions between protons and He{sup +} ions at proton energies from several hundred kilo-electron-volts to 2 MeV. A coupled-Sturmian approach is taken, extending the work of Winter (Phys. Rev. A 35, 3799 (1987)) and Stodden {ital et} {ital al}. (Phys. Rev. A 41, 1281 (1990)) to high energies where perturbative approaches are expected to be valid. An explicit connection is made with the first-order Born approximation for ionization and the impulse version of the distorted, strong-potential Born approximation for electron transfer. The capture cross section is shown to be affected by the presence of target basis functions of positive energy near {ital v}{sup 2}/2, corresponding to the Thomas mechanism.

  16. Electron-impact excitation and ionization of atomic boron at low and intermediate energies

    NASA Astrophysics Data System (ADS)

    Wang, Kedong; Zatsarinny, Oleg; Bartschat, Klaus

    2016-05-01

    We present a comprehensive study of electron collisions with neutral boron atoms. The calculations were performed with the B-Spline R-matrix (close-coupling) method, by employing a parallelized version of the associated computer code. Elastic, excitation, and ionization cross sections were obtained for all transitions involving the lowest 11 states of boron, for incident electron energies ranging from threshold to 100 eV. A multiconfiguration Hartree-Fock method with nonorthogonal term-dependent orbitals was used to generate accurate wave functions for the target states. Close-coupling expansions including 13, 51, and 999 physical and pseudo states were set up to check the sensitivity of the predictions to variations in the theoretical model. The cross-section dataset generated in this work is expected to be the most accurate one available today and should be sufficiently comprehensive for most modeling applications involving neutral boron. Work supported by the China Scholarship Council and the United States National Science Foundation under Grants PHY-1403245 and PHY-1520970, and by the XSEDE allocation PHY-090031.

  17. Near-coincident K-line and K-edge energies as ionization diagnostics for some high atomic number plasmas

    SciTech Connect

    Pereira, N. R.; Weber, B. V.; Phipps, D. G.; Schumer, J. W.; Seely, J. F.; Carroll, J. J.; Vanhoy, J. R.; Slabkowska, K.; Polasik, M.

    2012-10-15

    For some high atomic number atoms, the energy of the K-edge is tens of eVs higher than the K-line energy of another atom, so that a few eV increase in the line's energy results in a decreasing transmission of the x-ray through a filter of the matching material. The transmission of cold iridium's Asymptotically-Equal-To 63.287 keV K{alpha}{sub 2} line through a lutetium filter is 7% lower when emitted by ionized iridium, consistent with an energy increase of {Delta}{epsilon} Asymptotically-Equal-To 10{+-}1 eV associated with the ionization. Likewise, the transmission of the K{beta}{sub 1} line of ytterbium through a near-coincident K-edge filter changes depending on plasma parameters that should affect the ionization. Systematic exploration of filter-line pairs like these could become a unique tool for diagnostics of suitable high energy density plasmas.

  18. Influence of the ionization-energy losses of high-energy bismuth ions on the development of helium blisters in silicon

    SciTech Connect

    Reutov, V. F. Dmitriev, S. N.; Sohatsky, A. S.; Zaluzhnyi, A. G.

    2015-10-15

    Understanding the behavior of helium in solids under conditions of intense ionizing radiation is of particular interest in solving many problems of nuclear, fusion, and space materials science and also in microelectronics. The observed effect of suppressing the formation of helium blisters on the surface of helium ion-doped silicon as a result of irradiation with high-energy bismuth ions is reported in this publication. It is suggested that a possible decrease in the concentration of helium atoms in silicon is due to their radiationinduced desorption from the area of doping in terms of the high-impact ionization of bismuth ions.

  19. A Critical Compilation of Energy Levels, Spectral Lines, and Transition Probabilities of Singly Ionized Silver, Ag II.

    PubMed

    Kramida, Alexander

    2013-01-01

    All available experimental measurements of the spectrum of the Ag(+) ion are critically reviewed. Systematic shifts are removed from the measured wavelengths. The compiled list of critically evaluated wavelengths is used to derive a comprehensive list of energy levels with well-defined uncertainties. Eigenvector compositions and level designations are found in two alternate coupling schemes. Some of the older work is found to be incorrect. A revised value of the ionization energy, 173283(7) cm(-1), equivalent to 21.4844(8) eV, is derived from the new energy levels. A set of critically evaluated transition probabilities is given.

  20. Ion kinetic energy distributions and cross sections for the electron impact ionization of ethyl tert-butyl ether

    NASA Astrophysics Data System (ADS)

    Di Palma, T. M.; Apicella, B.; Armenante, M.; Velotta, R.; Wang, X.; Spinelli, N.

    2005-11-01

    The kinetic energy distributions and the cross sections of the ions produced in the electron impact of ethyl tert-butyl ether (ETBE) have been studied by time of flight (TOF) mass spectrometry. The kinetic energy distributions have been deduced from the TOF peak shape analysis and a Montecarlo simulation method of the ion trajectories has been used to evaluate the collection efficiency of the spectrometer as a function of the ion initial kinetic energy. The measured ion yields have been corrected for the collection efficiency and the partial and total ionization cross sections of ETBE determined in the range 20-150 eV.

  1. Construction of an ionization chamber for the measurement of dose of low energy x-rays

    SciTech Connect

    Perez, Y. B. Alcantara; Jimenez, F. J. Ramirez

    2008-08-11

    We designed and constructed the prototype of an ionization chamber to measure the dose of an X-ray tube with Molybdenum anode. This X-ray tube is located in the Physics department at CINVESTAV and is used for medical physics purposes in the imaging area. The ionization chamber is designed to measure doses on biological samples exposed to X-rays and will be applied in radiation protection studies.

  2. Pulsed-field ionization zero electron kinetic energy spectrum of the ground electronic state of BeOBe+.

    PubMed

    Antonov, Ivan O; Barker, Beau J; Heaven, Michael C

    2011-01-28

    The ground electronic state of BeOBe(+) was probed using the pulsed-field ionization zero electron kinetic energy photoelectron technique. Spectra were rotationally resolved and transitions to the zero-point level, the symmetric stretch fundamental and first two bending vibrational levels were observed. The rotational state symmetry selection rules confirm that the ground electronic state of the cation is (2)Σ(g)(+). Detachment of an electron from the HOMO of neutral BeOBe results in little change in the vibrational or rotational constants, indicating that this orbital is nonbonding in nature. The ionization energy of BeOBe [65480(4) cm(-1)] was refined over previous measurements. Results from recent theoretical calculations for BeOBe(+) (multireference configuration interaction) were found to be in good agreement with the experimental data.

  3. Application of high-resolution photoelectron spectroscopy: Vibrational resolved C 1s and O 1s spectra of CO adsorbed on Ni(100)

    SciTech Connect

    Foehlisch, A.; Nilsson, A.; Martensson, N.

    1997-04-01

    There are various effects which determine the line shape of a core-level electron spectrum. These are due to the finite life-time of the core hole, inelastic scattering of the outgoing photoelectron, electronic shake-up and shake-off processes and vibrational excitations. For free atoms and molecules the different contributions to the observed line shapes can often be well separated. For solids, surfaces and adsorbates the line shapes are in general much broader and it has in the past been assumed that no separation of the various contributions can be made. In the present report the authors will show that this is indeed not the case. Surprisingly, the vibrational fine structure of CO adsorbed on Ni(100) can be resolved in the C 1s and O 1s electron spectra. This was achieved by the combination of highly monochromatized soft X-rays from B18.0 with a high resolution Scienta 200 mm photoelectron spectrometer. X-ray photoelectron spectroscopy (XPS) with tunable excitation energy yields as a core level spectroscopy atomic and site-specific information. The presented measurements allow for a determination of internuclear distances and potential energy curves in corehole ionized adsorbed molecules. The authors analysis of the c(2x2) phase CO/Ni(100) on {open_quotes}top{close_quotes} yielded a vibrational splitting of 217 +/- 2 meV for C 1s ionization. For O 1s ionization a splitting of 173 +/- 8 meV was found.

  4. Single differential electron impact ionization cross sections in the binary-encounter-Bethe approximation for the low binding energy regime

    NASA Astrophysics Data System (ADS)

    Guerra, M.; Amaro, P.; Machado, J.; Santos, J. P.

    2015-09-01

    An analytical expression based on the binary-encounter-Bethe model for energy differential cross sections in the low binding energy regime is presented. Both the binary-encounter-Bethe model and its modified counterpart are extended to shells with very low binding energy by removing the constraints in the interference term of the Mott cross section, originally introduced by Kim et al. The influence of the ionic factor is also studied for such targets. All the binary-encounter-Bethe based models presented here are checked against experimental results of low binding energy targets, such as the total ionization cross sections of alkali metals. The energy differential cross sections for H and He, at several incident energies, are also compared to available experimental and theoretical values.

  5. Benzylammonium Thermometer Ions: Internal Energies of Ions Formed by Low Temperature Plasma and Atmospheric Pressure Chemical Ionization.

    PubMed

    Stephens, Edward R; Dumlao, Morphy; Xiao, Dan; Zhang, Daming; Donald, William A

    2015-12-01

    The extent of internal energy deposition upon ion formation by low temperature plasma and atmospheric pressure chemical ionization was investigated using novel benzylammonium thermometer ions. C-N heterolytic bond dissociation enthalpies of nine 4-substituted benzylammoniums were calculated using CAM-B3LYP/6-311++G(d,p), which was significantly more accurate than B3LYP/6-311++G(d,p), MP2/6-311++G(d,p), and CBS-QB3 for calculating the enthalpies of 20 heterolytic dissociation reactions that were used to benchmark theory. All 4-substituted benzylammonium thermometer ions fragmented by a single pathway with comparable dissociation entropies, except 4-nitrobenzylammonium. Overall, the extent of energy deposition into ions formed by low temperature plasma was significantly lower than those formed by atmospheric pressure chemical ionization under these conditions. Because benzylamines are volatile, this new suite of thermometer ions should be useful for investigating the extent of internal energy deposition during ion formation for a wide range of ionization methods, including plasma, spray and laser desorption-based techniques. Graphical Abstract ᅟ.

  6. Benzylammonium Thermometer Ions: Internal Energies of Ions Formed by Low Temperature Plasma and Atmospheric Pressure Chemical Ionization

    NASA Astrophysics Data System (ADS)

    Stephens, Edward R.; Dumlao, Morphy; Xiao, Dan; Zhang, Daming; Donald, William A.

    2015-12-01

    The extent of internal energy deposition upon ion formation by low temperature plasma and atmospheric pressure chemical ionization was investigated using novel benzylammonium thermometer ions. C-N heterolytic bond dissociation enthalpies of nine 4-substituted benzylammoniums were calculated using CAM-B3LYP/6-311++G(d,p), which was significantly more accurate than B3LYP/6-311++G(d,p), MP2/6-311++G(d,p), and CBS-QB3 for calculating the enthalpies of 20 heterolytic dissociation reactions that were used to benchmark theory. All 4-substituted benzylammonium thermometer ions fragmented by a single pathway with comparable dissociation entropies, except 4-nitrobenzylammonium. Overall, the extent of energy deposition into ions formed by low temperature plasma was significantly lower than those formed by atmospheric pressure chemical ionization under these conditions. Because benzylamines are volatile, this new suite of thermometer ions should be useful for investigating the extent of internal energy deposition during ion formation for a wide range of ionization methods, including plasma, spray and laser desorption-based techniques.

  7. Long-range energy transfer and ionization in extended quantum systems driven by ultrashort spatially shaped laser pulses.

    PubMed

    Paramonov, Guennaddi K; Bandrauk, André D; Kühn, Oliver

    2011-05-21

    The processes of ionization and energy transfer in a quantum system composed of two distant H atoms with an initial internuclear separation of 100 atomic units (5.29 nm) have been studied by the numerical solution of the time-dependent Schrödinger equation beyond the Born-Oppenheimer approximation. Thereby it has been assumed that only one of the two H atoms was excited by temporally and spatially shaped laser pulses at various laser carrier frequencies. The quantum dynamics of the extended H-H system, which was taken to be initially either in an unentangled or an entangled ground state, has been explored within a linear three-dimensional model, including the two z coordinates of the electrons and the internuclear distance R. An efficient energy transfer from the laser-excited H atom (atom A) to the other H atom (atom B) and the ionization of the latter have been found. It has been shown that the physical mechanisms of the energy transfer as well as of the ionization of atom B are the Coulomb attraction of the laser driven electron of atom A by the proton of atom B and a short-range Coulomb repulsion of the two electrons when their wave functions strongly overlap in the domain of atom B.

  8. Inner-shell ionization of potassium atoms ionized by a femtosecond laser

    SciTech Connect

    Hertlein, M. P.; Adaniya, H.; Amini, J.; Feinberg, B.; Prior, M. H.; Belkacem, A.; Bressler, C.; Kaiser, M.; Neumann, N.

    2006-06-15

    With a femtosecond laser pulse we rapidly ionize potassium atoms (K{sup 0}) in the gas phase, generating potassium ions (K{sup +}), and monitor the altered energy-level scheme with a subsequent hard x-ray pulse. Removal of the potassium 4s valence electron increases the binding energies of both the valence and the 1s core levels, and induces an ultrafast change of the 1s-4p x-ray transition energy by about 2.8 eV. We simultaneously observe a 50% increase in oscillator strength of K{sup +} over K{sup 0} for that transition.

  9. Inner-shell ionization of potassium atoms ionized by a femtosecond laser

    NASA Astrophysics Data System (ADS)

    Hertlein, M. P.; Adaniya, H.; Amini, J.; Bressler, C.; Feinberg, B.; Kaiser, M.; Neumann, N.; Prior, M. H.; Belkacem, A.

    2006-06-01

    With a femtosecond laser pulse we rapidly ionize potassium atoms (K0) in the gas phase, generating potassium ions (K+) , and monitor the altered energy-level scheme with a subsequent hard x-ray pulse. Removal of the potassium 4s valence electron increases the binding energies of both the valence and the 1s core levels, and induces an ultrafast change of the 1s-4p x-ray transition energy by about 2.8eV . We simultaneously observe a 50% increase in oscillator strength of K+ over K0 for that transition.

  10. Penning type of ionizing energy transfer collisions in a Hg-Ar discharge detected by the optogalvanic effect

    NASA Technical Reports Server (NTRS)

    Reddy, B. R.; Venkateswarlu, P.; George, M. C.

    1989-01-01

    The temporal evolution of the optogalvanic signals has been investigated in detail in a Hg-argon discharge by irradiating it with an excimer pumped dye laser. The signals at 4510.7, 4596 and 4628.4 A exhibited anomalous behavior. Analysis of the data revealed that the excited Ar and Hg atoms respectively in the 1P1 and 3P1 states participated in energy transfer collisions, causing atomic mercury to excite to an ionized energy state, while simultaneously the argon atom relaxes to its ground state.

  11. Agrp neurons mediate Sirt1's action on the melanocortin system and energy balance: roles for Sirt1 in neuronal firing and synaptic plasticity.

    PubMed

    Dietrich, Marcelo O; Antunes, Catiele; Geliang, Gan; Liu, Zhong-Wu; Borok, Erzsebet; Nie, Yongzhan; Xu, Allison W; Souza, Diogo O; Gao, Qian; Diano, Sabrina; Gao, Xiao-Bing; Horvath, Tamas L

    2010-09-01

    Sirt1 has been associated with various effects of calorie restriction, including an increase in lifespan. Here we show in mice that a central regulatory component in energy metabolism, the hypothalamic melanocortin system, is affected by Sirt1, which promotes the activity and connectivity of this system resulting in negative energy balance. In adult mice, the pharmacological inhibition of brain Sirt1 activity decreased Agrp neuronal activity and the inhibitory tone on the anorexigenic POMC neurons, as measured by the number of synaptic inputs to these neurons. When a Sirt1 inhibitor (EX-527) was injected either peripherally (i.p., 10 mg/kg) or directly into the brain (i.c.v., 1.5 nmol/mouse), it decreased both food intake during the dark cycle and ghrelin-induced food intake. This effect on feeding is mediated by upstream melanocortin receptors, because the MC4R antagonist, SHU9119, reversed Sirt1's effect on food intake. This action of Sirt1 required an appropriate shift in the mitochondrial redox state: in the absence of such an adaptation enabled by the mitochondrial protein, UCP2, Sirt1-induced cellular and behavioral responses were impaired. In accordance with the pharmacological results, the selective knock-out of Sirt1 in hypothalamic Agrp neurons through the use of Cre-Lox technology decreased electric responses of Agrp neurons to ghrelin and decreased food intake, leading to decreased lean mass, fat mass, and body weight. The present data indicate that Sirt1 has a central mode of action by acting on the NPY/Agrp neurons to affect body metabolism.

  12. Scaling Laws of the Two-Electron Sum-Energy Spectrum in Strong-Field Double Ionization.

    PubMed

    Ye, Difa; Li, Min; Fu, Libin; Liu, Jie; Gong, Qihuang; Liu, Yunquan; Ullrich, J

    2015-09-18

    The sum-energy spectrum of two correlated electrons emitted in nonsequential strong-field double ionization (SFDI) of Ar was studied for intensities of 0.3 to 2×10^{14} W/cm^{2}. We find the mean sum energy, the maximum of the distributions as well as the high-energy tail of the scaled (to the ponderomotive energy) spectra increase with decreasing intensity below the recollision threshold (BRT). At higher intensities the spectra collapse into a single distribution. This behavior can be well explained within a semiclassical model providing clear evidence of the importance of multiple recollisions in the BRT regime. Here, ultrafast thermalization between both electrons is found occurring within three optical cycles only and leaving its clear footprint in the sum-energy spectra.

  13. Particle and energy dependence of the statistical fluctuations of an ionization chamber current

    NASA Astrophysics Data System (ADS)

    Purghel, Lidia; Vaˆlcov, Nicolae

    For the purpose of getting more detailed information concerning the processes leading to statistical fluctuations of an ionization chamber current, measurements with various radioactive sources have been done. By using the experimental arrangement described elsewhere [A. Necula et al. Nucl. Instr. and Meth. A 332 (1993) 501] the mean value and the standard deviation of the ionization current for 3H (water vapours), 60Co (sealed source), 85Kr (gas), 204Tl (8 mm diameter disk) and 239Pu (10 mm diameter disk), beta, gamma and alpha sources have been measured. A statistical model explaining the experimental data is proposed.

  14. Electron energy enhancement by frequency chirp of a radially polarized laser pulse during ionization of low-density gases

    NASA Astrophysics Data System (ADS)

    Pal Singh, Kunwar; Arya, Rashmi; Malik, Anil K.; Fisch, N. J.

    2016-11-01

    A scheme is proposed to enhance the energy of the electrons generated during the ionization of low-density krypton ions \\text{K}{{\\text{r}}32+} and argon ions \\text{A}{{\\text{r}}16+} by a radially polarized laser pulse using a negative frequency chirp. If a suitable frequency chirp is introduced then the energy of the electrons increases significantly and scattering decreases. The optimum value of the frequency chirp decreases with laser intensity and as well as spot size. The laser spot size also has an optimum value. The electron energy shows strong initial phase dependence. The scheme can be used to obtain quasi-monoenergetic collimated \\text{MeV}/\\text{GeV} electrons using the right choice of parameters. The chirped radially polarized laser pulse is more efficient than a chirped circularly polarized laser pulse to enhance energy and obtain quasi-monoenergetic electron beams.

  15. Direct Delta-MBPT(2) method for ionization potentials, electron affinities, and excitation energies using fractional occupation numbers

    SciTech Connect

    Beste, Ariana; Vazquez-Mayagoitia, Alvaro; Ortiz, J. Vincent

    2013-01-01

    A direct method (D-Delta-MBPT(2)) to calculate second-order ionization potentials (IPs), electron affinities (EAs), and excitation energies is developed. The Delta-MBPT(2) method is defined as the correlated extension of the Delta-HF method. Energy differences are obtained by integrating the energy derivative with respect to occupation numbers over the appropriate parameter range. This is made possible by writing the second-order energy as a function of the occupation numbers. Relaxation effects are fully included at the SCF level. This is in contrast to linear response theory, which makes the D-Delta-MBPT(2) applicable not only to single excited but also higher excited states. We show the relationship of the D-Delta-MBPT(2) method for IPs and EAs to a second-order approximation of the effective Fock-space coupled-cluster Hamiltonian and a second-order electron propagator method. We also discuss the connection between the D-Delta-MBPT(2) method for excitation energies and the CIS-MP2 method. Finally, as a proof of principle, we apply our method to calculate ionization potentials and excitation energies of some small molecules. For IPs, the Delta-MBPT(2) results compare well to the second-order solution of the Dyson equation. For excitation energies, the deviation from EOM-CCSD increases when correlation becomes more important. When using the numerical integration technique, we encounter difficulties that prevented us from reaching the Delta-MBPT(2) values. Most importantly, relaxation beyond the Hartree Fock level is significant and needs to be included in future research.

  16. Ab initio approaches for the determination of heavy element energetics: Ionization energies of trivalent lanthanides (Ln = La-Eu)

    SciTech Connect

    Peterson, Charles; Penchoff, Deborah A.; Wilson, Angela K.

    2015-11-21

    An effective approach for the determination of lanthanide energetics, as demonstrated by application to the third ionization energy (in the gas phase) for the first half of the lanthanide series, has been developed. This approach uses a combination of highly correlated and fully relativistic ab initio methods to accurately describe the electronic structure of heavy elements. Both scalar and fully relativistic methods are used to achieve an approach that is both computationally feasible and accurate. The impact of basis set choice and the number of electrons included in the correlation space has also been examined.

  17. A balloon-borne ionization spectrometer with very large aperture for the detection of high energy cosmic rays

    NASA Technical Reports Server (NTRS)

    Atallah, K.; Modlinger, A.; Schmidt, W. K. H.; Cleghorn, T. F.

    1975-01-01

    A balloon experiment which was used to determine the chemical composition of very high-energy cosmic rays up to and beyond 100 GeV/nucleon is described. The detector had a geometric factor of 1 sq m sr and a total weight on the balloon of 2100 kg. The apparatus consisted of an ionization spectrometer, spark chambers, and plastic scintillation and Cherenkov counters. It was calibrated at CERN up to 24 GeV/c protons and at DESY up to 7 GeV/c electrons. In October 1972 it was flown successfully on a stratospheric balloon.

  18. Ionization potentials, electron affinities, resonance excitation energies, oscillator strengths, and ionic radii of element Uus (Z = 117) and astatine.

    PubMed

    Chang, Zhiwei; Li, Jiguang; Dong, Chenzhong

    2010-12-30

    Multiconfiguration Dirac-Fock (MCDF) method was employed to calculate the first five ionization potentials, electron affinities, resonance excitation energies, oscillator strengths, and radii for the element Uus and its homologue At. Main valence correlation effects were taken into account. The Breit interaction and QED effects were also estimated. The uncertainties of calculated IPs, EAs, and IR for Uus and At were reduced through an extrapolation procedure. The good consistency with available experimental and other theoretical values demonstrates the validity of the present results. These theoretical data therefore can be used to predict some unknown physicochemical properties of element Uus, Astatine, and their compounds.

  19. Pulsed-field ionization electron spectroscopy and binding energies of alkali metal-dimethyl ether and -dimethoxyethane complexes

    NASA Astrophysics Data System (ADS)

    Sohnlein, Bradford R.; Li, Shenggang; Fuller, Jason F.; Yang, Dong-Sheng

    2005-07-01

    Lithium and sodium complexes of dimethyl ether (DME) and dimethoxyethane (DXE) were produced by reactions of laser-vaporized metal atoms with organic vapors in a pulsed nozzle cluster source. The mono-ligand complexes were studied by photoionization and pulsed field ionization zero electron kinetic energy (ZEKE) spectroscopy. Vibrationally resolved ZEKE spectra were obtained for Li(DME), Na(DME) and Li(DXE) and a photoionization efficiency spectrum for Na(DXE). The ZEKE spectra were analyzed by comparing with the spectra of other metal-ether complexes and with electronic structure calculations and spectral simulations. Major vibrations measured for the M(DME) (M=Li,Na) ions were M-O and C-O stretches and M-O-C and C-O-C bends. These vibrations and additional O-Li-O and O-C-C-O bends were observed for the Li(DXE) ion. The M(DME) complexes were in C2v symmetry with the metal atom binding to oxygen, whereas Li(DXE) was in a C2 ring configuration with the Li atom attaching to both oxygen atoms. Moreover, the ionization energies of these complexes were measured from the ZEKE or photoionization spectra and bond dissociation energies were derived from a thermodynamic cycle.

  20. Two-photon double ionization of helium in the region of photon energies 42-50eV

    NASA Astrophysics Data System (ADS)

    Ivanov, I. A.; Kheifets, A. S.

    2007-03-01

    We report the total integrated cross section (TICS) of two-photon double ionization of helium in the photon energy range from 42to50eV . Our computational procedure relies on a numerical solution of the time-dependent Schrödinger equation on a square-integrable basis and subsequent projection of this solution on a set of final field-free states describing correlation in the two-electron continuum. Our results suggest that the TICS grows monotonically as a function of photon energy in the region of 42-50eV , possibly reaching a maximum in the vicinity of 50eV . We also present fully resolved triple-differential cross sections for selected photon energies.

  1. Inner-Shell Ionization of potassium atoms ionized by a femtosecondlaser

    SciTech Connect

    Hertlein, Marcus P.; Adaniya, Hidehito; Amini, Jason; Bressler,Christian; Feinberg, Benedict; Kaiser, Maik; Neumann, Nadine; Prior,Michael H.; Belkacem, Ali

    2006-06-07

    With a femtosecond laser pulse we rapidly ionize potassiumatoms (K0) in the gas phase, generating potassium ions (K+), and monitorthe altered energy-level scheme with a subsequent hard x-ray pulse.Removal of the potassium 4s valence electron increases the bindingenergies of both the valence and the 1s core levels, and induces anultrafast change of the 1s-4p x-ray transition energy by about 2.8 eV. Wesimultaneously observe a 50 percent increase in oscillator strength of K+over K0 for that transition.

  2. A validation of a simple model for the calculation of the ionization energies in X-ray laser-cluster interactions

    SciTech Connect

    White, Jeff; Ackad, Edward

    2015-02-15

    The outer-ionization of an electron from a cluster is an unambiguous quantity, while the inner-ionization threshold is not, resulting in different microscopic quantum-classical hybrid models used in laser-cluster interactions. A simple local ionization threshold model for the change in the ionization energy is proposed and examined, for atoms and ions, at distances in between the initial configuration of the cluster to well into the cluster's disintegration. This model is compared with a full Hartree-Fock energy calculation which accounts for the electron correlation effects using the coupled cluster method with single and double excitations with perturbative triples (CCSD(T)). Good agreement is found between the two lending a strong theoretical support to works which rely on such models for the final and transient properties of the laser-cluster interaction.

  3. Coulomb three-body effects in low-energy impact ionization of H(1{ital s})

    SciTech Connect

    Roeder, J.; Rasch, J.; Jung, K.; Whelan, C.T.; Ehrhardt, H.; Allan, R.J.; Walters, H.R. |||

    1996-01-01

    The different kinematical and geometrical arrangements that may be used in ({ital e},2{ital e}) studies are briefly reviewed. The ionization of H(1{ital s}) is considered, and within the confines of a relatively simple theoretical model, it is shown how to define experimental setups where one may extract information on the role of Coulomb three-body effects in the incident and final channels. Theoretical and experimental results are presented for coplanar constant geometry where the focus is primarily on incident channel effects. {copyright} {ital 1996 The American Physical Society.}

  4. The effect of conformation on the ionization energetics of n-butylbenzene. I. A threshold ionization study

    NASA Astrophysics Data System (ADS)

    Tong, Xin; Ford, Mark S.; Dessent, Caroline E. H.; Müller-Dethlefs, Klaus

    2003-12-01

    Conformational isomers of the aromatic hydrocarbon n-butylbenzene have been studied using two-color REMPI (resonance enhanced multiphoton ionization) and MATI (mass analyzed threshold ionization) spectroscopy to explore the effect of conformation on ionization dynamics. Gauche- and anti-cationic conformers were selectively produced by two-color excitation via the respective S1 origins. Adiabatic ionization potentials of the gauche- and anti-conformations were determined to be 70 148 and 69 955±5 cm-1, respectively. Analysis of the REMPI and MATI spectra allowed the determination of the S0 (38 cm-1), S1 (100 cm-1), and D0 (-155 cm-1) gauche- and anti-conformer energy differences. Spectral features and vibrational modes are interpreted with the aid of MP2/cc-pVDZ ab initio calculations, and ionization-induced changes in the molecular conformations discussed.

  5. Direct determination of the ionization energies of PtC, PtO, and PtO2 with VUV radiation.

    PubMed

    Citir, Murat; Metz, Ricardo B; Belau, Leonid; Ahmed, Musahid

    2008-10-02

    Photoionization efficiency curves were measured for gas-phase PtC, PtO, and PtO2 using tunable vacuum ultraviolet (VUV) radiation at the Advanced Light Source. The molecules were prepared by laser ablation of a platinum tube, followed by reaction with CH4 or N2O and supersonic expansion. These measurements provide the first directly measured ionization energy for PtC, IE(PtC) = 9.45 +/- 0.05 eV. The direct measurement also gives greatly improved ionization energies for the platinum oxides, IE(PtO) = 10.0 +/- 0.1 eV and IE(PtO2) = 11.35 +/- 0.05 eV. The ionization energy connects the dissociation energies of the neutral and cation, leading to greatly improved 0 K bond dissociation energies for the neutrals: D0(Pt-C) = 5.95 +/- 0.07 eV, D0(Pt-O) = 4.30 +/- 0.12 eV, and D0(OPt-O) = 4.41 +/- 0.13 eV, as well as enthalpies of formation for the gas-phase molecules DeltaH(0)(f,0)(PtC(g)) = 701 +/- 7 kJ/mol, DeltaH(0)(f,0)(PtO(g)) = 396 +/- 12 kJ/mol, and DeltaH(0)(f,0)(PtO2(g)) = 218 +/- 11 kJ/mol. Much of the error in previous Knudsen cell measurements of platinum oxide bond dissociation energies is due to the use of thermodynamic second law extrapolations. Third law values calculated using statistical mechanical thermodynamic functions are in much better agreement with values obtained from ionization energies and ion energetics. These experiments demonstrate that laser ablation production with direct VUV ionization measurements is a versatile tool to measure ionization energies and bond dissociation energies for catalytically interesting species such as metal oxides and carbides.

  6. Does non-ionizing radiant energy affect determination of the evaporation rate by the gradient method?

    PubMed

    Kjartansson, S; Hammarlund, K; Oberg, P A; Sedin, G

    1991-01-01

    A study was performed to investigate whether measurements of the evaporation rate from the skin of newborn infants by the gradient method are affected by the presence of non-ionizing radiation from phototherapy equipment or a radiant heater. The evaporation rate was measured experimentally with the measuring sensors either exposed to or protected from non-ionizing radiation. Either blue light (phototherapy) or infrared light (radiant heater) was used; in the former case the evaporation rate was measured from a beaker of water covered with a semipermeable membrane, and in the latter case from the hand of an adult subject, aluminium foil or with the measuring probe in the air. No adverse effect on the determinations of the evaporation rate was found in the presence of blue light. Infrared radiation caused an error of 0.8 g/m2h when the radiant heater was set at its highest effect level or when the ambient humidity was high. At low and moderate levels the observed evaporation rate was not affected. It is concluded that when clinical measurements are made from the skin of newborn infants nursed under a radiant heater, the evaporation rate can appropriately be determined by the gradient method.

  7. Dependence with air density of the response of the PTW SourceCheck ionization chamber for low energy brachytherapy sources

    SciTech Connect

    Tornero-López, Ana M.; Guirado, Damián; Ruiz-Arrebola, Samuel; Perez-Calatayud, Jose; Simancas, Fernando; Lallena, Antonio M.; Gazdic-Santic, Maja

    2013-12-15

    Purpose: Air-communicating well ionization chambers are commonly used to assess air kerma strength of sources used in brachytherapy. The signal produced is supposed to be proportional to the air density within the chamber and, therefore, a density-independent air kerma strength is obtained when the measurement is corrected to standard atmospheric conditions using the usual temperature and pressure correction factor. Nevertheless, when assessing low energy sources, the ionization chambers may not fulfill that condition and a residual density dependence still remains after correction. In this work, the authors examined the behavior of the PTW 34051 SourceCheck ionization chamber when measuring the air kerma strength of {sup 125}I seeds.Methods: Four different SourceCheck chambers were analyzed. With each one of them, two series of measurements of the air kerma strength for {sup 125}I selectSeed{sup TM} brachytherapy sources were performed inside a pressure chamber and varying the pressure in a range from 747 to 1040 hPa (560 to 780 mm Hg). The temperature and relative humidity were kept basically constant. An analogous experiment was performed by taking measurements at different altitudes above sea level.Results: Contrary to other well-known ionization chambers, like the HDR1000 PLUS, in which the temperature-pressure correction factor overcorrects the measurements, in the SourceCheck ionization chamber they are undercorrected. At a typical atmospheric situation of 933 hPa (700 mm Hg) and 20 °C, this undercorrection turns out to be 1.5%. Corrected measurements show a residual linear dependence on the density and, as a consequence, an additional density dependent correction must be applied. The slope of this residual linear density dependence is different for each SourceCheck chamber investigated. The results obtained by taking measurements at different altitudes are compatible with those obtained with the pressure chamber.Conclusions: Variations of the altitude and

  8. PFI-ZEKE (Pulsed Field Ionization-Zero Electron Kinetic Energy) para el estudio de iones

    NASA Astrophysics Data System (ADS)

    Castaño, F.; Fernández, J. A.; Basterretxea, A. Longarte. F.; Sánchez Rayo, M. N.; Martínez, R.

    Entre las áreas hacia donde ha evolucionado la Química en los últimos años están los estudios de sistemas con especies reactivas de alta energía y los dominados por fuerzas intermoleculares débiles, con energías de unas pocas kcal/mol. En efecto, el estudio de las propiedades de los iones, comenzando por su relación con la molécula neutra de la que procede, la energía de ionización, los estados vibracionales y rotacionales, energías de enlace de Van der Waals entre el ión y una amplia variedad de otras moléculas, sus confórmeros o isómeros y sus reacciones o semi-reacciones químicas están en la raíz de la necesidad de la espectroscopía conocida como PFI-ZEKE, Pulsed Field Ionization-Zero Electron Kinetic Energy. Entre las aplicaciones que requieren estos conocimientos se encuentran la generación de plasmas para la fabricación de semiconductores, memorias magnéticas, etc, así como los sistemas astrofísicos, la ionosfera terrestre, etc. La espectroscopía ZEKE es una evolución de las de fluorescencia inducida por láser, LIF, ionización multifotónica acrecentada por resonancia, REMPI, con uno y dos colores y acoplada a un sistema de tiempo de vuelo, REMPI-TOF-MS, y las espectroscopías de doble resonancia IR-UV y UV-UV. Sus espectros y la ayuda de cálculos ab inicio permite determinar las energías de enlace de complejos de van der Waals en estados fundamental y excitados, identificar confórmeros e isómeros, obtener energías de ionización experimentales aproximadas (100 cm-1) y otras variables de interés. Al igual que con LIF, REMPI y dobles resonancias, es posible utilizar muestras gaseosas, pero los espectros están muy saturados de bandas y su interpretación es difícil o imposible. Se evitan estas dificultades estudiando las moléculas o complejos en expansiones supersónicas, donde la T de los grados de libertad solo alcanzan unos pocos K. Para realizar experimentos de ZEKE hay que utilizar una propiedad recientemente

  9. Multiphoton inner-shell ionization of the carbon atom

    NASA Astrophysics Data System (ADS)

    Rey, H. F.; van der Hart, H. W.

    2015-07-01

    We apply time-dependent R -matrix theory to study inner-shell ionization of C atoms in ultrashort high-frequency light fields with a photon energy between 170 and 245 eV. At an intensity of 1017 W /cm2, ionization is dominated by single-photon emission of a 2 ℓ electron, with two-photon emission of a 1 s electron accounting for about 2-3% of all emission processes, and two-photon emission of 2 ℓ contributing about 0.5-1%. Three-photon emission of a 1 s electron is estimated to contribute about 0.01-0.03%. Around a photon energy of 225 eV, two-photon emission of a 1 s electron, leaving C+ in either 1 s 2 s 2 p3 or 1 s 2 p4 , is resonantly enhanced by intermediate 1 s 2 s22 p3 states. The results demonstrate the capability of time-dependent R -matrix theory to describe inner-shell ionization processes including rearrangement of the outer electrons.

  10. High-energy and low-energy collision-induced dissociation of protonated flavonoids generated by MALDI and by electrospray ionization

    NASA Astrophysics Data System (ADS)

    March, Raymond E.; Li, Hongxia; Belgacem, Omar; Papanastasiou, Dimitris

    2007-04-01

    Product ion mass spectra of a series of nine protonated flavonoids have been observed by electrospray ionization combined with quadrupole/time-of-flight (ESI QTOF), and matrix-assisted laser desorption ionization combined either with quadrupole ion trap (MALDI QIT) tandem mass spectrometry or time-of-flight tandem mass spectrometry (MALDI TOF ReTOF). The compounds examined are 3,6-, 3,2'-, and 3,3'-dihydoxyflavone, apigenin (5,7,4'-trihydroxyflavone), luteolin (5,7,3',4'-tetrahydroxyflavone), apigenin-7-O-glucoside, hesperidin (5,7,3'-trihydroxy-4'-methoxyflavanone), daidzen (7,4'-dihydroxyisoflavone), and rutin (quercitin-3-O-rutinoside) where quercitin is 3,5,7,3',4'-pentahydroxyflavone; sodiated rutin was examined also. The center-of-mass energies in ESI QTOF and MALDI QIT are similar (1-4 eV) and their product ion mass spectra are virtually identical. In the MALDI TOF ReTOF instrument, center-of-mass energies range from 126-309 eV for sodiated rutin to protonated dihydroxyflavones, respectively. Due to the high center-of-mass energies available with the MALDI TOF ReTOF instrument, some useful structural information may be obtained; however, with increasing precursor mass/charge ratio, product ion mass spectra become simplified so as to be of limited structural value. Electronic excitation of the protonated (and sodiated) species examined here offers an explanation for the very simple product ion mass spectra observed particularly for glycosylated flavonoids.

  11. Recombination processes in a flowing magnetized plasma: Application to ionization energy recovery in the variable specific impulse magnetoplasma rocket (VASIMR)

    NASA Astrophysics Data System (ADS)

    Chavers, Donald Gregory

    Electric propulsion involves the acceleration of charged particles (ions and electrons) through electric and magnetic body forces. The collection of these charged particles, or plasma, cannot be stored but must be created in-situ. Therefore, energy must be supplied to a neutral gas to create the plasma that is accelerated by the body forces. The energy that is used to create the plasma, i.e., ionization energy, is typically lost, "frozen" in the exhaust of the thruster. When the kinetic energy in the plasma flow is much larger than the energy used to create the plasma, this frozen-flow loss is negligible. Conversely, if the frozen-flow loss is a major fraction of the total plasma energy, its recovery, even in a partial way, may improve the energy efficiency of the thruster while also providing a potential means for thrust augmentation. This dissertation investigates the underlying physics, which could enable the practical recovery of frozen-flow losses by processes such as surface and volume recombination. For surface recombination, the ions approach the surface of the metal and are neutralized by electrons from the metal via the Auger neutralization process. For volume recombination, the ions and electrons recombine, with energy released via line radiation or by transferring energy to a third body such as another electron. Since the total energy of the neutralized ion, an atom, is less than the total energy of the ion and electron pair before recombination, conservation of energy requires the release of energy as the ion and electron recombine. The measurements described in this dissertation were performed on the VX-10 experiment, a plasma device supporting the development of the Variable Specific Impulse Magnetoplasma Rocket (VASIMR) concept and located at the Advanced Space Propulsion Laboratory of the Johnson Space Center. Results suggest that the recombination energy can be recovered. The available energy and power recovered depends on the local plasma

  12. Experimental and theoretical triple differential cross sections for electron-impact ionization of Ar (3p) for equal energy final state electrons

    NASA Astrophysics Data System (ADS)

    Amami, Sadek; Ozer, Zehra N.; Dogan, Mevlut; Yavuz, Murat; Varol, Onur; Madison, Don

    2016-09-01

    There have been several studies of electron-impact ionization of inert gases for asymmetric final state energy sharing and normally one electron has an energy significantly higher than the other. However, there have been relatively few studies examining equal energy final state electrons. Here we report experimental and theoretical triple differential cross sections for electron impact ionization of Ar (3p) for equal energy sharing of the outgoing electrons. Previous experimental results combined with some new measurements are compared with distorted wave born approximation (DWBA) results, DWBA results using the Ward-Macek (WM) approximation for the post collision interaction (PCI), and three-body distorted wave (3DW) which includes PCI without approximation. The results show that it is crucially important to include PCI in the calculation particularly for lower energies and that the WM approximation is valid only for high energies. The 3DW, on the other hand, is in reasonably good agreement with data down to fairly low energies.

  13. Computational Calculation Of The Ionization Energies Of The Human Prion Protein By The Coarse-grain Method

    NASA Astrophysics Data System (ADS)

    Lyu, Justin; Andrianarijaona, V. M.

    2016-05-01

    The causes of the misfolding of prion protein -i.e. the transformation of PrPC to PrPSc - have not been clearly elucidated. Many studies have focused on identifying possible chemical conditions, such as pH, temperature and chemical denaturation, that may trigger the pathological transformation of prion proteins (Weiwei Tao, Gwonchan Yoon, Penghui Cao, `` β-sheet-like formation during the mechanical unfolding of prion protein'', The Journal of Chemical Physics, 2015, 143, 125101). Here, we attempt to calculate the ionization energies of the prion protein, which will be able to shed light onto the possible causes of the misfolding. We plan on using the coarse-grain method which allows for a more feasible calculation time by means of approximation. We believe that by being able to approximate the ionization potential, particularly that of the regions known to form stable β-strands of the PrPSc form, the possible sources of denaturation, be it chemical or mechanical, may be narrowed down.

  14. Ionization By Impact Electrons in Solids: Electron Mean Free Path Fitted Over A Wide Energy Range

    SciTech Connect

    Ziaja, B; London, R A; Hajdu, J

    2005-06-09

    We propose a simple formula for fitting the electron mean free paths in solids both at high and at low electron energies. The free-electron-gas approximation used for predicting electron mean free paths is no longer valid at low energies (E < 50 eV), as the band structure effects become significant at those energies. Therefore we include the results of the band structure calculations in our fit. Finally, we apply the fit to 9 elements and 2 compounds.

  15. Photoionization of Cl+ from the 3s23p4 3P2,1,0 and the 3s23p4 1D2,1S0 states in the energy range 19-28 eV

    NASA Astrophysics Data System (ADS)

    McLaughlin, Brendan M.

    2017-01-01

    Absolute photoionization cross-sections for the Cl+ ion in its ground and the metastable states, 3s23p4 3P2,1,0 and 3s23p4 1D2,1S0, were measured recently at the Advanced Light Source at Lawrence Berkeley National Laboratory using the merged beams photon-ion technique at a photon energy resolution of 15 meV in the energy range 19-28 eV. These measurements are compared with large-scale Dirac-Coulomb R-matrix calculations in the same energy range. Photoionization of this sulphur-like chlorine ion is characterized by multiple Rydberg series of auto-ionizing resonances superimposed on a direct photoionization continuum. A wealth of resonance features observed in the experimental spectra is spectroscopically assigned, and their resonance parameters are tabulated and compared with the recent measurements. Metastable fractions in the parent ion beam are determined from this study. Theoretical resonance energies and quantum defects of the prominent Rydberg series 3s23p3nd, identified in the spectra as 3p → nd transitions, are compared with the available measurements made on this element. Weaker Rydberg series 3s23p3ns, identified as 3p → ns transitions and window resonances 3s3p4(4P)np features, due to 3s → np transitions, are also found in the spectra.

  16. State selective Rydberg charge transfer and ionization in low energy ion-atom collisions

    NASA Astrophysics Data System (ADS)

    Perumal, A. N.; Tripathi, D. N.

    1998-10-01

    The Classical Trajectory Monte Carlo (CTMC) simulation method with a core modified interaction potential has been used to study the single charge transfer in Na +and Ar + ions colliding with a variety of state selected Na Rydberg atom targets ( n=24, 28, 33, 40 and l=2) in the reduced velocity region v=0.2-2.0. The experimentally observed structures in the total capture cross section versus reduced velocity curves are reproduced by CTMC method. The n-distribution of final capture state has got two peaks viz. first one at nf= ni and the second one at a higher nf depending on the initial angular momentum in the velocity regime 0.4-0.6. These structures have been explained in terms of quasimolecular-ion formation and a classical model proposed by Roy et al. (B.N. Roy, D.N. Tripathi, D.K. Rai, Phys. Rev. A 5 (1972) 1252). The CTMC ionization cross section results are benchmarked with the recent experimental measurement of Makarov et al. (O.P. Makarov, D.M. Homan, O.P. Sorokina, K.B. MacAdam, in: F. Aumayr, G. Betz, H.P. Winter (Eds.), Proceedings of the 20th International Conference on the Physics of Electronics and Atomic Collisions, Vienna, 1997, p. FR052) for Na +-Na(24 d).

  17. Monte Carlo aided design of an improved well-type ionization chamber for low energy brachytherapy sources

    SciTech Connect

    Bohm, Tim D.; Micka, John A.; De Werd, Larry A.

    2007-04-15

    The determination of the air kerma strength of a brachytherapy seed is necessary for effective treatment planning. Well-type ionization chambers are used on site at therapy clinics to determine the air kerma strength of seeds. In this work, an improved well-type ionization chamber for low energy, low dose rate brachytherapy sources is designed using Monte Carlo transport calculations to aid in the design process. The design improvements are the elimination of the air density induced over-response effect seen in other air-communicating chambers for low energy photon sources, and a larger signal strength (response or current) for {sup 103}Pd and {sup 125}I based seeds. A prototype well chamber based on the Monte Carlo aided design but using graphite coated acrylic walls rather than the design basis air equivalent plastic (C-552) walls was constructed and experimentally evaluated. The prototype chamber produced an 85% stronger signal when measuring a commonly used {sup 103}Pd seed and a 26% stronger signal when measuring a commonly used {sup 125}I seed when compared to another commonly used well chamber. The normalized P{sub TP} corrected chamber response is, at most, 1.3% and 2.4% over unity for air densities/pressures corresponding to an elevation of 3048 m (10 000 feet) above sea level for the commonly used {sup 103}Pd and {sup 125}I based seeds respectively. Comparing calculated and measured chamber responses for common {sup 103}Pd and {sup 125}I based brachytherapy seeds show agreement within 0.6% and 0.2%, respectively. We conclude that Monte Carlo transport calculations accurately model the response of this new well chamber and in general can be used to predict the response of well chambers. The prototype chamber built in this work responds as predicted by the Monte Carlo calculations.

  18. Asymmetric electron energy sharing in electron-impact double ionization of helium

    NASA Astrophysics Data System (ADS)

    Silenou Mengoue, M.; Tetchou Nganso, H. M.

    2016-12-01

    We present the fully fivefold differential cross sections (FDCSs) for (e ,3 e ) processes in helium within the first Born approximation. The calculation is performed for a coplanar geometry in which the incident electron is fast (˜6 keV), the momentum transfer is small (0.24 a.u.), and for an asymmetric energy sharing between both slow ejected electrons at excess energy of 20 eV. Two cases have been considered: E1=15 eV, E2=5 eV and E1=8 eV, E2=12 eV. While waiting for new theoretical and experimental results for confrontations, in particular for asymmetric energy sharing, our results clearly demonstrate that, for the same incident energy, the same momentum transfer and the same excess energy, the (e ,3 e ) process in helium with asymmetric energy sharing between ejected electrons is more likely than the case with symmetric energy sharing. The two- and three-dimensional representation of the FDCSs covering all possible values of the angle of ejections are presented and discussed. The theoretical cross sections are calculated by using a compact-kernel-integral-equation approach associated with the Jacobi matrix method to calculate a three-body wave function and which leads to a full convergence in terms of the basis size.

  19. Internal energy distribution of peptides in electrospray ionization : ESI and collision-induced dissociation spectra calculation.

    PubMed

    Pak, Alireza; Lesage, Denis; Gimbert, Yves; Vékey, Károly; Tabet, Jean-Claude

    2008-04-01

    The internal energy of ions and the timescale play fundamental roles in mass spectrometry. The main objective of this study is to estimate and compare the internal energy distributions of different ions (different nature, degree of freedom 'DOF' and fragmentations) produced in an electrospray source (ESI) of a triple-quadrupole instrument (Quattro I Micromass). These measurements were performed using both the Survival Yield method (as proposed by De Pauw) and the MassKinetics software (kinetic model introduced by Vékey). The internal energy calibration is the preliminary step for ESI and collision-induced dissociation (CID) spectra calculation. meta-Methyl-benzylpyridinium ion and four protonated peptides (YGGFL, LDIFSDF, LDIFSDFR and RLDIFSDF) were produced using an electrospray source. These ions were used as thermometer probe compounds. Cone voltages (V(c)) were linearly correlated with the mean internal energy values () carried by desolvated ions. These mean internal energy values seem to be slightly dependent on the size of the studied ion. ESI mass spectra and CID spectra were then simulated using the MassKinetics software to propose an empirical equation for the mean internal energy () versus cone voltage (V(c)) for different source temperatures (T): < E(int) > = [405 x 10(-6) - 480 x 10(-9) (DOF)] V(c)T + E(therm)(T). In this equation, the E(therm)(T) parameter is the mean internal energy due to the source temperature at 0 V(c).

  20. Site-specific recoil-induced effects on inner-shell photoionization of linear triatomic molecules: N 1 s photoelectron spectra of N2 O

    NASA Astrophysics Data System (ADS)

    Krivosenko, Yu. S.; Pavlychev, A. A.

    2016-11-01

    We investigate hard X-ray ionization of linear triatomic molecules accenting recoil-induced effects on the dynamics of molecular frame. This dynamics is studied within the two-springs and harmonic approximations. The mode-channel relationship connecting the excitations of vibrational, rotational and translational degrees of freedom with the Σ → Σ and Σ → Π photoionization channels is applied to compute the N 1s-1 photoelectron spectra of molecular N2 O for various photon energies. The distinct ionized-site- and molecular-orientation-specific changes in the vibration structure of the 1 s photoelectron lines of terminal and central nitrogen atoms are revealed and discussed.

  1. Detection of High Energy Cosmic Ray with the Advanced Thin Ionization Calorimeter (ATIC)

    NASA Technical Reports Server (NTRS)

    Fazely, Ali R.

    2003-01-01

    ATIC is a balloon-borne investigation of cosmic ray spectra, from below 50 GeV to near 100 TeV total energy, using a fully active Bismuth Gemmate (BGO) calorimeter. It is equipped with the first large area mosaic of small fully depleted silicon detector pixels capable of charge identification in cosmic rays from H to Fe. As a redundancy check for the charge identification and a coarse particle tracking system, three projective layers of x-y scintillator hodoscopes were employed, above, in the center and below a Carbon interaction 'target'. Very high energy gamma-rays and their energy spectrum may provide insight to the flux of extremely high energy neutrinos which will be investigated in detail with several proposed cubic kilometer scale neutrino observatories in the next decade.

  2. Holes bound as small polarons to acceptor defects in oxide materials: why are their thermal ionization energies so high?

    NASA Astrophysics Data System (ADS)

    Schirmer, O. F.

    2011-08-01

    Holes bound to acceptor defects in oxide materials usually need comparatively high energies, of the order of 0.5-1.0 eV, to be ionized thermally to the valence band maximum. It is discussed that this has to be attributed to the stabilization of such holes by mainly short range interactions with the surrounding lattice, leading to the formation of small O - polarons. This is tantamount to the localization of the hole at only one of several equivalent oxygen ions next to the defect. The hole stabilizing energies can be determined experimentally from the related intense optical absorption bands. This paper exploits previous phenomenological studies of bound-hole small polarons in order to account for the large hole stabilization energies on this basis. A compilation demonstrates that bound-hole small polarons occur rather often in oxides and also in some related materials. The identification of such systems is based on EPR and optical studies and also on recent advanced electronic structure calculations.

  3. Above-threshold ionization of Mg by linearly and circularly polarized laser fields: Origin of the subpeaks in the photoelectron energy spectra

    SciTech Connect

    Nakajima, Takashi; Buica, Gabriela

    2006-08-15

    We theoretically investigate above-threshold ionization of Mg by linearly and circularly polarized fs laser pulses. We find that the above-threshold ionization peaks are accompanied by small subpeaks for both linearly and circularly polarized pulses. We interpret the physical origin of the subpeaks as above-threshold ionization from the low-lying bound states which are far off-resonantly excited by the spectral wing of the pulse. This interpretation is confirmed by our comparative numerical studies. Furthermore, we provide a clear explanation of why this kind of subpeak in the photoelectron energy spectra has not been reported for smaller photon energies with Mg and other commonly used atoms such as H and rare gas atoms.

  4. Observation of atomic oxygen O(1S) green-line emission in the summer polar upper mesosphere associated with high-energy (≥30 keV) electron precipitation during high-speed solar wind streams

    NASA Astrophysics Data System (ADS)

    Lee, Young-Sook; Kwak, Young-Sil; Kim, Kyung-Chan; Solheim, Brian; Lee, Regina; Lee, Jaejin

    2017-01-01

    The auroral green-line emission at 557.7 nm wavelength as arising from the atomic oxygen O(1S → 1D) transition typically peaks at an altitude of 100 km specifically in the nightside oval, induced by auroral electrons within an energy range of 100 eV-30 keV. Intense aurora is known as being suppressed by sunlight in summer daytime but usually occurs in low electrical background conductivity. However, in the present study in summer (July) sunlit condition, enhancements of O(1S) emission rates observed by using the Wind Imaging Interferometer/UARS were frequently observed at low altitudes below 90 km, where ice particles are created initially as subvisible and detected as polar mesosphere summer echoes, emerging to be an optical phenomenon of polar mesospheric clouds. The intense O(1S) emission occurring in summer exceeds those occurring in the daytime in other seasons both in occurrence and in intensity, frequently accompanied by occurrences of supersonic neutral velocity (300-1500 m s-1). In the mesosphere, ion motion is controlled by electric field and the momentum is transferred to neutrals. The intense O(1S) emission is well associated with high-energy electron precipitation as observed during an event of high-speed solar wind streams. Meanwhile, since the minimum occurrences of O(1S) emission and supersonic velocity are maintained even in the low precipitation flux, the mechanism responsible is not only related to high-energy electron precipitation but also presumably to the local conditions, including the composition of meteoric-charged ice particles and charge separation expected in extremely low temperatures (<150 K).

  5. K -shell ionization cross sections of Al, Si, S, Ca, and Zn for oxygen ions in the energy range 1. 1--8 MeV

    SciTech Connect

    Geretschlaeger, M. ); Smit, Z. ); Steinbauer, E. )

    1992-03-01

    {ital K}-shell ionization cross sections induced by 1.1--8-MeV oxygen ions in Al, Si, S, Ca, and Zn were measured using different target thicknesses. The cross sections for vanishingly thin and for charge-equilibrium targets were obtained by extrapolation. The experimental results are compared to the perturbed stationary-state approximation with energy-loss, Coulomb, and relativistic corrections (ECPSSR) cross sections (Brandt and Lapicki, Phys. Rev. A 23, 1717 (1981)), to the modification of the ECPSSR theory (MECPSSR) (Benka, Geretschlaeger, and Paul, J. Phys. (Paris) Colloq. Suppl. 12, C9-251 (1987)), to the theory for direct Coulomb ionization of the 1{ital s}{sigma} molecular orbital (Montenegro and Sigaud, J. Phys. B 18, 299 (1985)), and to several semiclassical approximation codes using either the united atom binding procedure or the variational approach of Andersen {ital et} {ital al}. (Nucl. Instrum. Methods 192, 79 (1982)). The cross sections were also compared to the statistical molecular-orbital theory of inner-shell ionization for (nearly) symmetric atomic collisions (Mittelman and Wilets, Phys. Rev. 154, 12 (1967)). For fast collisions ({xi}{similar to}1), the ionization cross sections are well reproduced by theories for direct Coulomb ionization. For slower collisions ({xi}{lt}1), the experimental cross sections are systematically higher than the direct-ionization values, but they agree satisfactorily with the summed cross sections for direct Coulomb ionization and for molecular-orbital ionization. Best agreement (within a factor of 2) was found for the sums of MECPSSR and statistical cross sections.

  6. Quantum and classical dynamics of H + CaCl(X (2)Σ(+)) → HCl + Ca((1)S) reaction and vibrational energy levels of the HCaCl complex.

    PubMed

    Tan, Rui Shan; Zhai, Huan Chen; Gao, Feng; Tong, Dianmin; Lin, Shi Ying

    2016-06-21

    We carried out accurate quantum wave packet as well as quasi-classical trajectory (QCT) calculations for H + CaCl (νi = 0, ji = 0) reaction occurring on an adiabatic ground state using the recent ab initio potential energy surface to obtain the quantum and QCT reaction probabilities for several partial waves (J = 0, 10, and 20) as well as state resolved QCT integral and differential cross sections. The complete list of vibrational energy levels supported by the intermediate HCaCl complex is also obtained using the Lanczos algorithm. The QCT reaction probabilities show excellent agreement with the quantum ones except for the failure in reproducing the highly oscillatory resonance structure. Despite the fact that the reaction is exothermic and the existence of a barrier that is energetically lower than the bottom of the reactant valley, the reaction probability for J = 0 shows threshold-like behavior and the reactivity all through the energies is very low (<0.1). The dynamical features at two different energy regions (<0.35 eV and >0.35 eV) are found to be different drastically from each other. The analyses of these results suggest that the reaction is governed by one of the two different types of reaction mechanism, one is the direct mechanism at the high energy region and the other is the indirect mechanism at the low energy region by which the reaction proceeds through the long-lived intermediate complex followed by a statistical dissociation into asymptotic channels.

  7. Direct effects of ionizing radiation on integral membrane proteins. Noncovalent energy transfer requires specific interpeptide interactions

    SciTech Connect

    Jhun, E.; Jhun, B.H.; Jones, L.R.; Jung, C.Y. )

    1991-05-25

    The 12 transmembrane alpha helices (TMHs) of human erythrocyte glucose transporter were individually cut by pepsin digestion as membrane-bound 2.5-3.5-kDa peptide fragments. Radiation-induced chemical degradation of these fragments showed an average target size of 34 kDa. This is 10-12 x larger than the average size of an individual TMH, demonstrating that a significant energy transfer occurs among these TMHs in the absence of covalent linkage. Heating this TMH preparation at 100{degree}C for 15 min reduced the target size to 5 kDa or less, suggesting that the noncovalent energy transfer requires specific helix-helix interactions. Purified phospholamban, a small (6-kDa) integral membrane protein containing a single TMH, formed a pentameric assembly in sodium dodecyl sulfate. The chemical degradation target size of this phospholamban pentamer was 5-6 kDa, illustrating that not all integral membrane protein assemblies permit intersubunit energy transfer. These findings together with other published observations suggest strongly that significant noncovalent energy transfer can occur within the tertiary and quaternary structure of membrane proteins and that as yet undefined proper molecular interactions are required for such covalent energy transfer. Our results with pepsin-digested glucose transporter also illustrate the importance of the interhelical interaction as a predominating force in maintaining the tertiary structure of a transmembrane protein.

  8. An (e, 2e + ion) study of low-energy electron-impact ionization and fragmentation of tetrahydrofuran with high mass and energy resolutions

    SciTech Connect

    Ren, Xueguang Pflüger, Thomas; Weyland, Marvin; Baek, Woon Yoon; Rabus, Hans; Ullrich, Joachim; Dorn, Alexander

    2014-10-07

    We study the low-energy (E{sub 0} = 26 eV) electron-impact induced ionization and fragmentation of tetrahydrofuran using a reaction microscope. All three final-state charged particles, i.e., two outgoing electrons and one fragment ion, are detected in triple coincidence such that the momentum vectors and, consequently, the kinetic energies for charged reaction products are determined. The ionic fragments are clearly identified in the experiment with a mass resolution of 1 amu. The fragmentation pathways of tetrahydrofuran are investigated by measuring the ion kinetic energy spectra and the binding energy spectra where an energy resolution of 1.5 eV has been achieved using the recently developed photoemission electron source. Here, we will discuss the fragmentation reactions for the cations C{sub 4}H{sub 8}O{sup +}, C{sub 4}H{sub 7}O{sup +}, C{sub 2}H{sub 3}O{sup +}, C{sub 3}H{sub 6}{sup +}, C{sub 3}H{sub 5}{sup +}, C{sub 3}H{sub 3}{sup +}, CH{sub 3}O{sup +}, CHO{sup +}, and C{sub 2}H{sub 3}{sup +}.

  9. Low-energy structures in strong field ionization revealed by quantum orbits.

    PubMed

    Yan, Tian-Min; Popruzhenko, S V; Vrakking, M J J; Bauer, D

    2010-12-17

    Experiments on atoms in intense laser pulses and the corresponding exact ab initio solutions of the time-dependent Schrödinger equation (TDSE) yield photoelectron spectra with low-energy features that are not reproduced by the otherwise successful work horse of strong field laser physics: the "strong field approximation" (SFA). In the semiclassical limit, the SFA possesses an appealing interpretation in terms of interfering quantum trajectories. It is shown that a conceptually simple extension towards the inclusion of Coulomb effects yields very good agreement with exact TDSE results. Moreover, the Coulomb quantum orbits allow for a physically intuitive interpretation and detailed analysis of all low-energy features in the semiclassical regime, in particular, the recently discovered "low-energy structure" [C. I. Blaga, Nature Phys. 5, 335 (2009) and W. Quan, Phys. Rev. Lett. 103, 093001 (2009).

  10. The Effects of the Pauli Exclusion Principle in Determining the Ionization Energies of the Helium Atom and Helium-Like Ions

    ERIC Educational Resources Information Center

    Deeney, F. A.; O'Leary, J. P.

    2012-01-01

    For helium and helium-like ions, we have examined the differences between the values of the ionization energies as calculated from the Bohr theory and those measured in experiments. We find that these differences vary linearly with the atomic number of the system. Using this result, we show how the Bohr model for single-electron systems may be…

  11. Soft x-ray ionization induced fragmentation of glycine

    NASA Astrophysics Data System (ADS)

    Itälä, E.; Kooser, K.; Rachlew, E.; Huels, M. A.; Kukk, E.

    2014-06-01

    X-ray absorption commonly involves dissociative core ionization producing not only momentum correlated charged fragments but also low- and high-energy electrons capable of inducing damage in living tissue. This gives a natural motivation for studying the core ionization induced fragmentation processes in biologically important molecules such as amino acids. Here the fragmentation of amino acid glycine following carbon 1s core ionization has been studied. Using photoelectron-photoion-photoion coincidence technique, a detailed analysis on fragmentation of the sample molecule into pairs of momentum correlated cations has been carried out. The main characteristics of core ionization induced fragmentation of glycine were found to be the rupture of the C-Cα bond and the presence of the CNH_2^+ fragment.

  12. Soft x-ray ionization induced fragmentation of glycine.

    PubMed

    Itälä, E; Kooser, K; Rachlew, E; Huels, M A; Kukk, E

    2014-06-21

    X-ray absorption commonly involves dissociative core ionization producing not only momentum correlated charged fragments but also low- and high-energy electrons capable of inducing damage in living tissue. This gives a natural motivation for studying the core ionization induced fragmentation processes in biologically important molecules such as amino acids. Here the fragmentation of amino acid glycine following carbon 1s core ionization has been studied. Using photoelectron-photoion-photoion coincidence technique, a detailed analysis on fragmentation of the sample molecule into pairs of momentum correlated cations has been carried out. The main characteristics of core ionization induced fragmentation of glycine were found to be the rupture of the C-Cα bond and the presence of the CNH(2)(+) fragment.

  13. Soft x-ray ionization induced fragmentation of glycine

    SciTech Connect

    Itälä, E.; Kooser, K.; Rachlew, E.; Huels, M. A.; Kukk, E.

    2014-06-21

    X-ray absorption commonly involves dissociative core ionization producing not only momentum correlated charged fragments but also low- and high-energy electrons capable of inducing damage in living tissue. This gives a natural motivation for studying the core ionization induced fragmentation processes in biologically important molecules such as amino acids. Here the fragmentation of amino acid glycine following carbon 1s core ionization has been studied. Using photoelectron-photoion-photoion coincidence technique, a detailed analysis on fragmentation of the sample molecule into pairs of momentum correlated cations has been carried out. The main characteristics of core ionization induced fragmentation of glycine were found to be the rupture of the C–C{sub α} bond and the presence of the CNH{sub 2}{sup +} fragment.

  14. Experimental determination of the effective point of measurement of cylindrical ionization chambers for high-energy photon and electron beams.

    PubMed

    Huang, Yanxiao; Willomitzer, Christian; Zakaria, Golam Abu; Hartmann, Guenther H

    2010-01-01

    Measurements of depth-dose curves in water phantom using a cylindrical ionization chamber require that its effective point of measurement is located at the measuring depth. Recommendations for the position of the effective point of measurement with respect to the central axis valid for high-energy electron and photon beams are given in dosimetry protocols. According to these protocols, the use of a constant shift P(eff) is currently recommended. However, this is still based on a very limited set of experimental results. It is therefore expected that an improved knowledge of the exact position of the effective point of measurement will further improve the accuracy of dosimetry. Recent publications have revealed that the position of the effective point of measurement is indeed varying with beam energy, field size and also with chamber geometry. The aim of this study is to investigate whether the shift of P(eff) can be taken to be constant and independent from the beam energy. An experimental determination of the effective point of measurement is presented based on a comparison between cylindrical chambers and a plane-parallel chamber using conventional dosimetry equipment. For electron beams, the determination is based on the comparison of halfvalue depth R(50) between the cylindrical chamber of interest and a well guarded plane-parallel Roos chamber. For photon beams, the depth of dose maximum, d(max), the depth of 80% dose, d(80), and the dose parameter PDD(10) were used. It was again found that the effective point of measurement for both, electron and photon beams Dosimetry, depends on the beam energy. The deviation from a constant value remains very small for photons, whereas significant deviations were found for electrons. It is therefore concluded that use of a single upstream shift value from the centre of the cylindrical chamber as recommended in current dosimetry protocols is adequate for photons, however inadequate for accurate electron beam dosimetry.

  15. Double-electron capture by highly-ionized atoms isolated at very low energy

    NASA Astrophysics Data System (ADS)

    Fogwell Hoogerheide, Shannon; Dreiling, Joan M.; Sahiner, Arda; Tan, Joseph N.

    2016-05-01

    Charge exchange with background gases, also known as electron capture processes, is important in the study of comets, controlled fusion energy, anti-matter atoms, and proposed one-electron ions in Rydberg states. However, there are few experiments in the very low energy regime that could be useful for further theoretical development. At NIST, highly-charged ions extracted from an electron-beam ion trap can be isolated with energy < 10 eV in a compact Penning trap. By controlling the background gas pressure and composition, the charge exchange rates can be studied. Fully stripped neon or other ions are held in the trap for varying lengths of time and allowed to interact with different background gases at multiple pressures. The ions are then pulsed to a time-of-flight detector to count the population of each charge state. Analysis using a system of rate equations yields information about the ion cloud expansion and single-electron capture rates. A substantial amount of double-electron capture is also observed. We present the relative rates and discuss the error budget. SFH and JMD were funded by National Research Council Research Associateship Awards during some of this work.

  16. Accurate ab initio predictions of ionization energies and heats of formation for the 2-propyl, phenyl, and benzyl radicals

    NASA Astrophysics Data System (ADS)

    Lau, K.-C.; Ng, C. Y.

    2006-01-01

    The ionization energies (IEs) for the 2-propyl (2-C3H7), phenyl (C6H5), and benzyl (C6H5CH2) radicals have been calculated by the wave-function-based ab initio CCSD(T)/CBS approach, which involves the approximation to the complete basis set (CBS) limit at the coupled cluster level with single and double excitations plus quasiperturbative triple excitation [CCSD(T)]. The zero-point vibrational energy correction, the core-valence electronic correction, and the scalar relativistic effect correction have been also made in these calculations. Although a precise IE value for the 2-C3H7 radical has not been directly determined before due to the poor Franck-Condon factor for the photoionization transition at the ionization threshold, the experimental value deduced indirectly using other known energetic data is found to be in good accord with the present CCSD(T)/CBS prediction. The comparison between the predicted value through the focal-point analysis and the highly precise experimental value for the IE(C6H5CH2) determined in the previous pulsed field ionization photoelectron (PFI-PE) study shows that the CCSD(T)/CBS method is capable of providing an accurate IE prediction for C6H5CH2, achieving an error limit of 35 meV. The benchmarking of the CCSD(T)/CBS IE(C6H5CH2) prediction suggests that the CCSD(T)/CBS IE(C6H5) prediction obtained here has a similar accuracy of 35 meV. Taking into account this error limit for the CCSD(T)/CBS prediction and the experimental uncertainty, the CCSD(T)/CBS IE(C6H5) value is also consistent with the IE(C6H5) reported in the previous HeI photoelectron measurement. Furthermore, the present study provides support for the conclusion that the CCSD(T)/CBS approach with high-level energy corrections can be used to provide reliable IE predictions for C3-C7 hydrocarbon radicals with an uncertainty of +/-35 meV. Employing the atomization scheme, we have also computed the 0 K (298 K) heats of formation in kJ/mol at the CCSD(T)/CBS level for 2-C3H7

  17. X-alpha calculation of transition energies in multiply ionized atoms

    NASA Technical Reports Server (NTRS)

    Ringers, D. A.; Chen, M. H.

    1974-01-01

    It is shown that the accuracy of calculations can be improved if appropriate (different) values of alpha are used for each configuration. Alternatively, the Slater Transition state can be used, wherein a total energy difference is related to a difference in single electron eigenvalues. By a series expansion, the value of alpha for an excited configuration can be related to its value for the ground state configuration. The terms Delta alpha (delta Epsilon/delta alpha) exhibit a similar dependence on atomic number as the ground state values of alpha. Results of sample calculations are reported and compared with experiment.

  18. Elastic scattering of low energy electrons in partially ionized dense semiclassical plasma

    SciTech Connect

    Dzhumagulova, K. N. Shalenov, E. O.; Ramazanov, T. S.

    2015-08-15

    Elastic scattering of electrons by hydrogen atoms in a dense semiclassical hydrogen plasma for low impact energies has been studied. Differential scattering cross sections were calculated within the effective model of electron-atom interaction taking into account the effect of screening as well as the quantum mechanical effect of diffraction. The calculations were carried out on the basis of the phase-function method. The influence of the diffraction effect on the Ramsauer–Townsend effect was studied on the basis of a comparison with results made within the effective polarization model of the Buckingham type.

  19. Elastic scattering of low energy electrons in partially ionized dense semiclassical plasma

    NASA Astrophysics Data System (ADS)

    Dzhumagulova, K. N.; Shalenov, E. O.; Ramazanov, T. S.

    2015-08-01

    Elastic scattering of electrons by hydrogen atoms in a dense semiclassical hydrogen plasma for low impact energies has been studied. Differential scattering cross sections were calculated within the effective model of electron-atom interaction taking into account the effect of screening as well as the quantum mechanical effect of diffraction. The calculations were carried out on the basis of the phase-function method. The influence of the diffraction effect on the Ramsauer-Townsend effect was studied on the basis of a comparison with results made within the effective polarization model of the Buckingham type.

  20. A discharge flow-photoionization mass spectrometric study of the FO(X 2 Pi i) radical. Photoionization efficiency spectrum and ionization energy

    NASA Technical Reports Server (NTRS)

    Zhang, Zhengyu; Kuo, Szu-Cherng; Klemm, R. Bruce; Monks, Paul S.; Stief, Louis J.

    1994-01-01

    Photoionization efficiency spectra of FO were measured over the wavelength range 80.0-100.0 nm and in the ionization threshold region, 94.0-100.0 nm, using a discharge flow-photoionization mass spectrometer apparatus coupled to a synchrotron radiation source. FO was generated by the reaction of F2P atoms with NO3 and via a F2O2 discharge. A value of 12.78 +/- 0.03 eV was obtained for the adiabatic ionization energy of FO from photoion thresholds which corresponds to FO(+)(X 3 Sigma -) from FO(X 2 Pi i). These results, which are the first to be obtained by direct Photo-ionization mass spectrometry (PIMS) measurements, corroborate those of a photoelectron spectroscopy (PES) study; however, the ionization energy determined here is free from interferences due to other species which complicated the PES measurement. A value of 109.5 +/- 8.0 kJ/mol for Delta f H 0 298(FO) is computed from the present value of IE(FO) and a previous appearance energy measurement, and a value for the proton affinity of FO is calculated to be 511.5 +/- 10.0 kJ/mol.

  1. Atomic ionization by intense laser pulses of short duration: Photoelectron energy and angular distributions

    SciTech Connect

    Dondera, M.

    2010-11-15

    We introduce an adequate integral representation of the wave function in the asymptotic region, valid for the stage postinteraction between a one-electron atom and a laser pulse of short duration, as a superposition of divergent radial spherical waves. Starting with this representation, we derive analytic expressions for the energy and angular distributions of the photoelectrons and we show their connection with expressions used before in the literature. Using our results, we propose a method to extract the photoelectron distributions from the time dependence of the wave function at large distances. Numerical results illustrating the method are presented for the photoionization of hydrogenlike atoms from the ground state and several excited states by extreme ultraviolet pulses with a central wavelength of 13.3 nm and several intensities around the value I{sub 0}{approx_equal}3.51x10{sup 16} W/cm{sup 2}.

  2. Multiply-ionized atoms isolated at low energy in a unitary Penning trap

    SciTech Connect

    Tan, Joseph N. Hoogerheide, Shannon Fogwell Guise, Nicholas D.; Brewer, Samuel M.

    2015-01-09

    Ions extracted from the EBIT at NIST are slowed and captured in a Penning trap that is made very compact (< 150 cm{sup 3}) by a unitary architecture [1]. Measurements after 1 ms of ion storage indicate that the isolated ions are distributed with 5.5(5) eV of energy spread, which is roughly 2 orders of magnitude lower than expected in the ion source, without implementing any active cooling [2]. Some experiments are discussed. One goal is to produce one-electron ions in high angular momentum states for studying optical transitions between Rydberg states that could potentially enable new tests of quantum electrodynamics (QED) and determinations of fundamental constants [3].

  3. Photo-Double Ionization: Threshold Law and Low-Energy Behavior

    NASA Technical Reports Server (NTRS)

    Bhatia, Anand

    2008-01-01

    The threshold law for photoejection of two electrons from atoms (PDI) is derived from a modification of the Coulomb-dipole (C-D) theory. The C-D theory applies to two-electron ejection from negative ions (photo-double detachment:PDD). The modification consists of correctly accounting for the fact that in PDI that the two escaping electrons see a Coulomb field, asymptotically no matter what their relative distances from the residual ion are. We find in the contralinear spherically symmetric model that the analytic threshold law Q(E),i. e. the yield of residual ions, to be Qf(E)approaches E + CwE(sup gamma(w)) + CE(sup 5/4)sin[1/2 ln(E + theta)]/ln(E). The first and third terms are beyond the Wannier law. Our threshold law can only be rigorously justified for residual energies less than or equal to 10(exp -3) eV. Nevertheless in the present experimental range (0.1 - 4 eV), the form, even without the second term, can be fitted to experimental results of PDI for He, Li, and Be, in contrast to the Wannier law which has a larger deviation from the data for Li and Be, for both of which the data show signs of modulation.

  4. Photo-Double Ionization: Threshold Law and Low-Energy Behavior

    NASA Technical Reports Server (NTRS)

    Bhatia, A. K.; Temkin, A.

    2007-01-01

    The threshold law for photoejection of two electrons from atoms (PDI) is derived from a modification of the Coulomb-dipole (C-D) theory. The C-D theory applies to two-electron ejection from negative ions (photo-double detachment:PDD). The modification consists of correctly accounting for the fact that in PDI that the two escaping electrons see a Coulomb field, asymptotically no matter what their relative distances from the residual ion are. We find in the contralinear spherically symmetric model that the analytic threshold law Q(E), i.e. the yield of residual ions, to be Q Integral of (E) varies as E + (C(sub w) E(sup gamma W)) +CE(sup 5/4) sin [1/2 ln E + phi]/ln(E). The first and third terms are beyond the Wannier law. Our threshold law can only be rigorously justified for residual energies <= 10(exp -3) eV. Nevertheless in the present experimental range (0.1 - 4 eV), the form, even without the second term, can be fitted to experimental results of PDI for He, Li, and Be, in contrast to the Wannier law which has a larger deviation from the data for Li and Be.

  5. Generation of 500 MeV-1 GeV energy electrons from laser wakefield acceleration via ionization induced injection using CO{sub 2} mixed in He

    SciTech Connect

    Mo, M. Z.; Ali, A.; Fedosejevs, R.; Fourmaux, S.; Lassonde, P.; Kieffer, J. C.

    2013-04-01

    Laser wakefield acceleration of 500 MeV to 1 GeV electron bunches has been demonstrated using ionization injection in mixtures of 4% to 10% of CO{sub 2} in He. 80 TW laser pulses were propagated through 5 mm gas jet targets at electron densities of 0.4-1.5 Multiplication-Sign 10{sup 19}cm{sup -3}. Ionization injection led to lower density thresholds, a higher total electron charge, and an increased probability of producing electrons above 500 MeV in energy compared to self-injection in He gas alone. Electrons with GeV energies were also observed on a few shots and indicative of an additional energy enhancement mechanism.

  6. Intensity and Energy Level Analysis of the Vacuum Ultraviolet Spectrum of Four Times Ionize Nickel (Ni V)

    NASA Astrophysics Data System (ADS)

    Ward, Jacob Wolfgang; Nave, Gillian

    2016-01-01

    Recent measurements of four times ionized iron and nickel (Fe V & Ni V) wavelengths in the vacuum ultraviolet (VUV) have been taken using the National Institute for Standards and Technology (NIST) Normal Incidence Vacuum Spectrograph (NIVS) with a sliding spark light source with invar electrodes. The wavelengths observed in those measurements make use of high resolution photographic plates with the majority of observed lines having uncertainties of approximately 3mÅ. In addition to observations made with photographic plates, the same wavelength region was observed with phosphor image plates, which have been demonstrated to be accurate as a method of intensity calibration when used with a deuterium light source. This work will evaluate the use of phosphor image plates and deuterium lamps as an intensity calibration method for the Ni V spectrum in the 1200-1600Å region of the VUV. Additionally, by pairing the observed wavelengths of Ni V with accurate line intensities, it is possible to create an energy level optimization for Ni V providing high accuracy Ritz wavelengths. This process has previously been applied to Fe V and produced Ritz wavelengths that agreed with the above experimental observations.

  7. The average local ionization energy as a tool for identifying reactive sites on defect-containing model graphene systems.

    PubMed

    Murray, Jane S; Shields, Zenaida Peralta-Inga; Lane, Pat; Macaveiu, Laura; Bulat, Felipe A

    2013-07-01

    In a continuing effort to further explore the use of the average local ionization energy [Formula: see text] as a computational tool, we have investigated how well [Formula: see text] computed on molecular surfaces serves as a predictive tool for identifying the sites of the more reactive electrons in several nonplanar defect-containing model graphene systems, each containing one or more pentagons. They include corannulene (C20H10), two inverse Stone-Thrower-Wales defect-containing structures C26H12 and C42H16, and a nanotube cap model C22H6, whose end is formed by three fused pentagons. Coronene (C24H12) has been included as a reference planar defect-free graphene model. We have optimized the structures of these systems as well as several monohydrogenated derivatives at the B3PW91/6-31G* level, and have computed their I(r) on molecular surfaces corresponding to the 0.001 au, 0.003 au and 0.005 au contours of the electronic density. We find that (1) the convex sides of the interior carbons of the nonplanar models are more reactive than the concave sides, and (2) the magnitudes of the lowest I(r) surface minima (the I S, min) correlate well with the interaction energies for hydrogenation at these sites. These I S, min values decrease in magnitude as the nonplanarity of the site increases, consistent with earlier studies. A practical benefit of the use of I(r) is that a single calculation suffices to characterize the numerous sites on a large molecular system, such as graphene and defect-containing graphene models.

  8. Ionization Phenomena in Ion-Atom Collisions

    NASA Astrophysics Data System (ADS)

    Deveney, Edward Francis

    Two many-electron ion-atom collision systems are used to investigate atomic and molecular structure and collisional interactions. Electrons emitted from MeV/u C^{3+} projectile target -atom collisions were measured with a high-resolution position -sensitive electron spectrometer at Oak Ridge National Laboratory. The electrons are predominantly ionized by direct projectile -target interactions or autoionizing (AI) from doubly excited AI levels of the ion which were excited in the collision. The energy dependence of directly scattered target electrons, binary-encounter electrons (BEE), is investigated and compared with theory. AI levels of the projectile 1s to nl single electron excited series, (1s2snl) n = 2,3,4,....infty, including the series limit are identified uniquely using energy level calculations. Original Auger yield calculations using a code by Cowan were used to discover a 1/{n^3} scaling in intensities of Auger peaks in the aforementioned series. This is explained using scattering theory. A nonstatistical population of the terms in the (1s2s2l) configuration was identified and investigated as a function of the beam energy and for four different target atoms. Two electron excited configurations are identified and investigated. The angular distribution of a correlated transfer and excitation AI state is measured and compared to theory. The final scattered charge state distributions of Kr^ {n+}, n = 1, 2, 3, 4, 5, projectiles are measured following collisions with Kr targets in the Van de Graaff Laboratory here at The University of Connecticut. Average scattered charge states as high as 12 are observed. It appears that these electrons are ionized during the lifetime of the quasimolecular state but a complete picture of the ionization mechanism(s) is not known. Calculations using a statistical model of ionization, modified in several ways, are compared with the experimental results to see if it is possible to isolate whether or not the electrons originate

  9. The effects of the electric and intense laser field on the binding energies of donor impurity states (1s and 2p±) and optical absorption between the related states in an asymmetric parabolic quantum well

    NASA Astrophysics Data System (ADS)

    Kasapoglu, E.; Sakiroglu, S.; Sökmen, I.; Restrepo, R. L.; Mora-Ramos, M. E.; Duque, C. A.

    2016-10-01

    We have calculated the effects of electric and intense laser fields on the binding energies of the ground and some excited states of conduction electrons coupled to shallow donor impurities as well as the total optical absorption coefficient for transitions between 1s and 2p± electron-impurity states in a asymmetric parabolic GaAs/Ga1-x AlxAs quantum well. The binding energies were obtained using the effective-mass approximation within a variational scheme. Total absorption coefficient (linear and nonlinear absorption coefficient) for the transitions between any two impurity states were calculated from first- and third-order dielectric susceptibilities derived within a perturbation expansion for the density matrix formalism. Our results show that the effects of the electric field, intense laser field, and the impurity location on the binding energy of 1s-impurity state are more pronounced compared with other impurity states. If the well center is changed to be Lc<0 (Lc>0), the effective well width decreases (increases), and thus we can obtain the red or blue shift in the resonant peak position of the absorption coefficient by changing the intensities of the electric and non-resonant intense laser field as well as dimensions of the well and impurity positions.

  10. An Experimental and Theoretical Study on the Ionization Energies of Polyynes (H-(C = C)n-H; n = 1 - 9)

    SciTech Connect

    Kaiser, Ralf I.; Sun, Bian Jian; Lin, Hong Mao; Chang, Agnes H. H.; Mebel, Alexander M.; Kostko, Oleg; Ahmed, Musahid

    2010-05-17

    We present a combined experimental and theoretical work on the ionization energies of polyacetylene -- organic molecules considered as important building blocks to form polycyclic aromatic hydrocarbons (PAHs) in the proto planetary nebulae such as of CRL 618. This set of astrophysical data can be utilized with significant confidence in future astrochemical models of photon-dominated regions and also of the proto planetary nebulae CRL 618. We recommend ionization energies of polyacetylenes from diacetylene up to heptaacetylene with an experimental accuracy of +- 0.05 eV: 10.03 eV (diacetylene), 9.45 eV (triacetylene), 9.08 eV (tetraacetylene), 8.75 eV (pentaacetylene), 8.65 eV (hexaacetylene), and 8.50 eV (heptaacetylene); further, ionization energies and with an accuracy of +- 0.1 eV: 8.32 eV (octaacetylene) and 8.24 eV (nonaacetylene) were computed. Implications of these energies to the redox chemistry involved in the multiply charged metal-ion mediated chemistry of hydrocarbon-rich atmospheres of planets and their moons such as Titan are also discussed.

  11. Study of dust particle charging in weakly ionized inert gases taking into account the nonlocality of the electron energy distribution function

    SciTech Connect

    Filippov, A. V. Dyatko, N. A.; Kostenko, A. S.

    2014-11-15

    The charging of dust particles in weakly ionized inert gases at atmospheric pressure has been investigated. The conditions under which the gas is ionized by an external source, a beam of fast electrons, are considered. The electron energy distribution function in argon, krypton, and xenon has been calculated for three rates of gas ionization by fast electrons: 10{sup 13}, 10{sup 14}, and 10{sup 15} cm{sup −1}. A model of dust particle charging with allowance for the nonlocal formation of the electron energy distribution function in the region of strong plasma quasi-neutrality violation around the dust particle is described. The nonlocality is taken into account in an approximation where the distribution function is a function of only the total electron energy. Comparative calculations of the dust particle charge with and without allowance for the nonlocality of the electron energy distribution function have been performed. Allowance for the nonlocality is shown to lead to a noticeable increase in the dust particle charge due to the influence of the group of hot electrons from the tail of the distribution function. It has been established that the screening constant virtually coincides with the smallest screening constant determined according to the asymptotic theory of screening with the electron transport and recombination coefficients in an unperturbed plasma.

  12. Collision-energy-resolved penning ionization electron spectroscopy of HCOOH, CH3COOH, and HCOOCH3 by collision with He*(2(3)S) metastable atoms.

    PubMed

    Borodin, Andriy; Yamazaki, Masakazu; Kishimoto, Naoki; Ohno, Koichi

    2005-06-02

    Penning ionization of formic acid (HCOOH), acetic acid (CH3COOH), and methyl formate (HCOOCH3) upon collision with metastable He*(2(3)S) atoms was studied by collision-energy/electron-energy-resolved two-dimensional Penning ionization electron spectroscopy (2D-PIES). Anisotropy of interaction between the target molecule and He*(2(3)S) was investigated based on the collision energy dependence of partial ionization cross sections (CEDPICS) obtained from 2D-PIES as well as ab initio molecular orbital calculations for the access of a metastable atom to the target molecule. For the interaction potential calculations, a Li atom was used in place of He*(2(3)S) metastable atom because of its well-known similarity in interaction with targets. The results indicate that in the studied collision energy range the attractive potential localizes around the oxygen atoms and that the potential well at the carbonyl oxygen atom is at least twice as much as that at the hydroxyl oxygen. Moreover we can notice that attractive potential is highly anisotropic. Repulsive interactions can be found around carbon atoms and the methyl group.

  13. Cross sections for ionization of K, L and M shells of atoms by impact of electrons and positrons with energies up to 1 GeV: Analytical formulas

    SciTech Connect

    Bote, David; Salvat, Francesc Jablonski, Aleksander

    2009-11-15

    Analytical formulas are presented for the easy calculation of cross sections for ionization of K, L and M shells of neutral atoms by impact of electrons and positrons with kinetic energies up to 1 GeV. Each formula contains a number of parameters that are characteristic of the element, the active electron shell and the projectile particle. The values of these parameters were determined by fitting the cross section values in an extensive database that was calculated recently by means of a composite algorithm that combines the distorted-wave and plane-wave Born approximations. Tables of parameter values are given for all elements, from hydrogen (Z=1) to einsteinium (Z=99). The proposed analytical expressions yield ionization cross sections that agree with those in the numerical database to within about 1%, except for projectiles with near-threshold energies.

  14. Collision-energy-resolved Penning ionization electron spectroscopy of p-benzoquinone: Study of electronic structure and anisotropic interaction with He*(2 3S) metastable atoms

    NASA Astrophysics Data System (ADS)

    Kishimoto, Naoki; Okamura, Kohji; Ohno, Koichi

    2004-06-01

    Collision energy dependence of partial ionization cross sections (CEDPICS) of p-benzoquinone with He*(2 3S) metastable atoms indicates that interaction potentials between p-benzoquinone and He*(2 3S) are highly anisotropic in the studied collision energy range (100-250 meV). Attractive interactions were found around the C=O groups for in-plane and out-of-plane directions, while repulsive interactions were found around CH bonds and the benzenoid ring. Assignment of the first four ionic states of p-benzoquinone and an analogous methyl-substituted compound was examined with CEDPICS and anisotropic distributions of the corresponding two nonbonding oxygen orbitals (nO+,nO-) and two πCC orbitals (πCC+,πCC-). An extra band that shows negative CEDPICS was observed at ca. 7.2 eV in Penning ionization electron spectrum.

  15. Electron ionization of acetylene.

    PubMed

    King, Simon J; Price, Stephen D

    2007-11-07

    Relative partial ionization cross sections and precursor specific relative partial ionization cross sections for fragment ions formed by electron ionization of C2H2 have been measured using time-of-flight mass spectrometry coupled with a 2D ion-ion coincidence technique. We report data for the formation of H+, H+2, C2+, C+/C2+ 2, CH+/C2H+2, CH+2, C+2, and C2H+ relative to the formation of C2H+2, as a function of ionizing electron energy from 30-200 eV. While excellent agreement is found between our data and one set of previously published absolute partial ionization cross sections, some discrepancies exist between the results presented here and two other recent determinations of these absolute partial ionization cross sections. We attribute these differences to the loss of some translationally energetic fragment ions in these earlier studies. Our relative precursor-specific partial ionization cross sections enable us, for the first time, to quantify the contribution to the yield of each fragment ion from single, double, and triple ionization. Analysis shows that at 50 eV double ionization contributes 2% to the total ion yield, increasing to over 10% at an ionizing energy of 100 eV. From our ion-ion coincidence data, we have derived branching ratios for charge separating dissociations of the acetylene dication. Comparison of our data to recent ab initio/RRKM calculations suggest that close to the double ionization potential C2H2+2 dissociates predominantly on the ground triplet potential energy surface (3Sigma*g) with a much smaller contribution from dissociation via the lowest singlet potential energy surface (1Delta g). Measurements of the kinetic energy released in the fragmentation reactions of C2H2+2 have been used to obtain precursor state energies for the formation of product ion pairs, and are shown to be in good agreement with available experimental data and with theory.

  16. Charge and energy-dependence of the Gaussian description of the triply differential cross sections for equal-energy sharing photo-double-ionization of two-electrons ions

    SciTech Connect

    Otranto, S.; Garibotti, C.R.

    2005-03-01

    We evaluate triply differential cross sections (TDCSs) for the photo-double-ionization (PDI) of He-like ions, and equal electron energy sharing, by using the SC3 model for the three-body final state. These cross sections are fitted with the usual dipolar Gaussian form which is found able to describe the theoretical TDCS, and could be applied for the interpretation of experimental data even at intermediate photon energies. We determine the dependence of the correlation factor on the excess energy (E{sub f}) and target nuclear charge (Z). We find that its width has an E{sub f}{sup 1/4} dependence near the atomic double-ionization threshold but departs from this law and attains a plateau as the excess energy increases. We compare our results with the predictions of classical and semiclassical Wannier approaches.

  17. Ionizing radiation

    Technology Transfer Automated Retrieval System (TEKTRAN)

    This chapter gives a comprehensive review on ionizing irradiation of fresh fruits and vegetables. Topics include principles of ionizing radiation, its effects on pathogenic and spoilage microorganisms, shelf-life, sensory quality, nutritional and phytochemical composition, as well as physiologic and...

  18. Mass analyzed threshold ionization spectroscopy of deuterium substituted N-methylaniline and N-ethylaniline cations: isotope effect on transition energy and large amplitude vibrations

    NASA Astrophysics Data System (ADS)

    Lin, Jieli; Lin, Jung Lee; Tzeng, Wen Bih

    2003-12-01

    We have recorded the resonant two-photon ionization (R2PI) and mass analyzed threshold ionization (MATI) spectra of deuterium substituted N-methylaniline (NMA-d1) and N-ethylaniline (NEA-d1) to investigate the influence of the N-deuteration on the transition energy and the large amplitude alkyl vibration. The origin of the S 1←S 0 electronic transition (EE) and the adiabatic ionization energy (IE) of NMA-d1 are determined to be 33,294 ± 1 and 59,801 ± 5 cm -1, whereas those of NEA-d1 are 33,301 ± 1 and 59,185 ± 5 cm -1, respectively. Comparing these data with those of NMA and NEA suggests that N-deuteration give rise to a blue shift of 2-4 cm -1 in the EE and a red shift of 19-21 cm -1 in the IE. These isotope shifts are little affected by the length of the alkyl group attached to the nitrogen atom. The present results also show that the N-deuteration influences more on the large amplitude motions of the CH 3 torsion, the C 2H 5 bending, and the N-inversion than the localized benzene ring vibrations.

  19. A discharge flow-photoionization mass spectrometric study of hydroxymethyl radicals (H{sub 2}COH and H{sub 2}COD): Photoionization spectrum and ionization energy

    SciTech Connect

    Tao, W.; Klemm, R.B.; Nesbitt, F.L.; Stief, L.J.

    1992-01-09

    The photoionization spectrum of H{sub 2}COH was measured over the wavelength range 140-170 nm by using a discharge flow-photoionization mass spectrometer apparatus with synchrotron radiation. Hydroxymethyl radicals (H{sub 2}COH and H{sub 2}COD) were generated in a flow tube by the reaction of F atoms with CH{sub 3}OH(D). Ionization energies (IE) were determined directly from photoion thresholds. The IE values, 7.56 {plus_minus} 0.02 and 7.55 {plus_minus} 0.02 eV for H{sub 2}COH and H{sub 2}COD, respectively, are consistent with previous measurements. Also, the dissociative ionization process, presumed to be H{sub 3}CO* {yields} HCO{sup +} + H{sub 2}, was observed with a threshold at 8.61 {plus_minus} 0.06 eV. 44 refs., 5 figs.

  20. Low energy ionizing collisions between N2 and CO beam molecules and CO, N2, NO, CH4, and CO2 target molecules

    NASA Technical Reports Server (NTRS)

    Utterback, N. G.; Van Zyl, B.

    1978-01-01

    Absolute total negative charge production cross sections for N2 + CO, CO + N2, CO + CO, N2 + NO, N2 + CH4, and N2 + CO2 collisions are reported, and a simple model of collisions is discussed. The cross sections were measured to within about 1 eV of their thresholds. Specific reaction channels were investigated by referring to mass spectrometric identification of the product ions scattered in the forward direction, and these product ion identifications were used to explain characteristic structures in the total charge production cross sections in the near-threshold regions. The extent of the importance of dissociative ionization and 'simple' ionization in the studied collisions at low energy is considered, and charge transfer cross sections for (CO)+ + CO, CO(+) + CH4, and N2(+) + CH4 are presented.

  1. Two- and three-photon double ionization of lithium

    NASA Astrophysics Data System (ADS)

    Armstrong, G.; Schuricke, M.; Veeravalli, G.; Dornes, Ch.; Zhu, G.; Joachimsmeyer, K.; Treusch, R.; Dorn, A.; Colgan, J.

    2012-06-01

    Motivated by current FEL experiments at FLASH, we present triple differential cross sections and recoil ion momentum distributions for two- and three-photon double ionization of the 1s^22s ^2S ground state of lithium at a photon energy of 50 eV. The time-dependent close-coupling (TDCC) method is used to solve the two-electron time-dependent Schr"odinger equation in full dimensionality. The double ionization process is treated as a two-active-electron process, where the ``active'' 1s and 2s electrons move in the field of the ``frozen-core'' Li^2+ 1s state. Recent experimental measurements of recoil ion momentum distributions have observed features associated with the absorption of both two and three photons. This work provides the first TDCC calculations to date of such two- and three-photon double ionization processes in lithium. The accurate treatment of these processes requires a detailed description of the final continuum containing both singlet and triplet S, P, D and F waves. We examine triple differential cross sections as a function of electron energy sharing for a variety of angular configurations. We also compare our calculated recoil ion momentum distributions with experimental measurements, providing the first such comparison for two- and three-photon processes.

  2. The Electronic and Vibrational Energies of the High-Spin States of He2 Which Correspond Asymptotically to the Interaction of Two 1s2s 3S He Atoms.

    DTIC Science & Technology

    1986-06-01

    Scheaffer (GMS)2 treated these same three states in c~nnection with their study of Penning and associative ionization of 2 S atoms. GMS performed a...Helium Atoms," J. Chem. Phys., Vol. 50, p. 5151, 1969. ’V 2. Garrison, B.J., Miller. W.H.. and Scheaffer , H.F., "Penning and Associative Ionization of

  3. Non-ionizing energy loss calculations for modeling electron-induced degradation of Cu(In, Ga)Se2 thin-film solar cells

    NASA Astrophysics Data System (ADS)

    Lu, Ming; Xu, Jing; Huang, Jian-Wei

    2016-09-01

    The lowest energies which make Cu, In, Ga, and Se atoms composing Cu(In, Ga)Se2 (CIGS) material displaced from their lattice sites are evaluated, respectively. The non-ionizing energy loss (NIEL) for electron in CIGS material is calculated analytically using the Mott differential cross section. The relation of the introduction rate (k) of the recombination centers to NIEL is modified, then the values of k at different electron energies are calculated. Degradation modeling of CIGS thin-film solar cells irradiated with various-energy electrons is performed according to the characterization of solar cells and the recombination centers. The validity of the modeling approach is verified by comparison with the experimental data. Project supported by the National Natural Science Foundation of China (Grant No. 11547151).

  4. Electron-impact ionization of H2O at low projectile energy: Internormalized triple-differential cross sections in three-dimensional kinematics

    NASA Astrophysics Data System (ADS)

    Ren, Xueguang; Amami, Sadek; Hossen, Khokon; Ali, Esam; Ning, ChuanGang; Colgan, James; Madison, Don; Dorn, Alexander

    2017-02-01

    We report a combined experimental and theoretical study of the electron-impact ionization of water (H2O ) at the relatively low incident energy of E0=81 eV in which either the 1 b1 or 3 a1 orbitals are ionized leading to the stable H2O+ cation. The experimental data were measured by using a reaction microscope, which can cover nearly the entire 4 π solid angle for the secondary electron emission over a range of ejection energies. We present experimental data for the scattering angles of 6∘ and 10∘ for the faster of the two outgoing electrons as a function of the detection angle of the secondary electron with energies of 5 and 10 eV. The experimental triple-differential cross sections are internormalized across the measured scattering angles and ejected energies. The experimental data are compared with predictions from two molecular three-body distorted-wave approaches: one applying the orientation-averaged molecular orbital (OAMO) approximation and one using a proper average (PA) over orientation-dependent cross sections. The PA calculations are in better agreement with the experimental data than the OAMO calculations for both the angular dependence and the relative magnitude of the observed cross-section structures.

  5. Vibrationally Resolved B 1s Photoionization Cross Section of BF3.

    PubMed

    Ayuso, D; Kimura, M; Kooser, K; Patanen, M; Plésiat, E; Argenti, L; Mondal, S; Travnikova, O; Sakai, K; Palacios, A; Kukk, E; Decleva, P; Ueda, K; Martín, F; Miron, C

    2015-06-11

    Photoelectron diffraction is a well-established technique for structural characterization of solids, based on the interference of the native photoelectron wave with those scattered from the neighboring atoms. For isolated systems in the gas phase similar studies suffer from orders of magnitude lower signals due to the very small sample density. Here we present a detailed study of the vibrationally resolved B 1s photoionization cross section of BF3 molecule. A combination of high-resolution photoelectron spectroscopy measurements and of state-of-the-art static-exchange and time-dependent DFT calculations shows the evolution of the photon energy dependence of the cross section from a complete trapping of the photoelectron wave (low energies) to oscillations due to photoelectron diffraction phenomena. The diffraction pattern allows one to access structural information both for the ground neutral state of the molecule and for the core-ionized cation. Due to a significant change in geometry between the ground and the B 1s(-1) core-ionized state in the BF3 molecule, several vibrational final states of the cation are populated, allowing investigation of eight different relative vibrationally resolved photoionization cross sections. Effects due to recoil induced by the photoelectron emission are also discussed.

  6. "Magic" Ionization Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Trimpin, Sarah

    2016-01-01

    The systematic study of the temperature and pressure dependence of matrix-assisted ionization (MAI) led us to the discovery of the seemingly impossible, initially explained by some reviewers as either sleight of hand or the misinterpretation by an overzealous young scientist of results reported many years before and having little utility. The "magic" that we were attempting to report was that with matrix assistance, molecules, at least as large as bovine serum albumin (66 kDa), are lifted into the gas phase as multiply charged ions simply by exposure of the matrix:analyte sample to the vacuum of a mass spectrometer. Applied heat, a laser, or voltages are not necessary to achieve charge states and ion abundances only previously observed with electrospray ionization (ESI). The fundamentals of how solid phase volatile or nonvolatile compounds are converted to gas-phase ions without added energy currently involves speculation providing a great opportunity to rethink mechanistic understanding of ionization processes used in mass spectrometry. Improved understanding of the mechanism(s) of these processes and their connection to ESI and matrix-assisted laser desorption/ionization may provide opportunities to further develop new ionization strategies for traditional and yet unforeseen applications of mass spectrometry. This Critical Insights article covers developments leading to the discovery of a seemingly magic ionization process that is simple to use, fast, sensitive, robust, and can be directly applied to surface characterization using portable or high performance mass spectrometers.

  7. "Magic" Ionization Mass Spectrometry.

    PubMed

    Trimpin, Sarah

    2016-01-01

    The systematic study of the temperature and pressure dependence of matrix-assisted ionization (MAI) led us to the discovery of the seemingly impossible, initially explained by some reviewers as either sleight of hand or the misinterpretation by an overzealous young scientist of results reported many years before and having little utility. The “magic” that we were attempting to report was that with matrix assistance, molecules, at least as large as bovine serum albumin (66 kDa), are lifted into the gas phase as multiply charged ions simply by exposure of the matrix:analyte sample to the vacuum of a mass spectrometer. Applied heat, a laser, or voltages are not necessary to achieve charge states and ion abundances only previously observed with electrospray ionization (ESI). The fundamentals of how solid phase volatile or nonvolatile compounds are converted to gas-phase ions without added energy currently involves speculation providing a great opportunity to rethink mechanistic understanding of ionization processes used in mass spectrometry. Improved understanding of the mechanism(s) of these processes and their connection to ESI and matrix-assisted laser desorption/ionization may provide opportunities to further develop new ionization strategies for traditional and yet unforeseen applications of mass spectrometry. This Critical Insights article covers developments leading to the discovery of a seemingly magic ionization process that is simple to use, fast, sensitive, robust, and can be directly applied to surface characterization using portable or high performance mass spectrometers.

  8. Internal energy effects on the solvation and reactivity of multiply charged biomolecules for electrospray ionization mass spectroscopy. [Bovine ubiquitin

    SciTech Connect

    Light-Wahl, K.J.; Winger, B.E.; Rockwood, A.L.; Smith, R.D.

    1992-06-01

    Mild (capillary) interface conditions which do not completely desolvate the ions of proteins in electrospray ionization mass spectrometry (ESI-MS) may be required to probe the higher order structures and weak associations. For the small protein bovine ubiquitin, two ion distributions (unsolvated ions and unresolved solvated ions) were observed. The resolvable solvation for leucine-enkephalin with methanol and water shows that the use of countercurrent N{sub 2} flow at the capillary affects the solvation observed. 2 figs. (DLC)

  9. Internal energy effects on the solvation and reactivity of multiply charged biomolecules for electrospray ionization mass spectroscopy

    SciTech Connect

    Light-Wahl, K.J.; Winger, B.E.; Rockwood, A.L.; Smith, R.D.

    1992-06-01

    Mild (capillary) interface conditions which do not completely desolvate the ions of proteins in electrospray ionization mass spectrometry (ESI-MS) may be required to probe the higher order structures and weak associations. For the small protein bovine ubiquitin, two ion distributions (unsolvated ions and unresolved solvated ions) were observed. The resolvable solvation for leucine-enkephalin with methanol and water shows that the use of countercurrent N{sub 2} flow at the capillary affects the solvation observed. 2 figs. (DLC)

  10. Determination of ionization energies of CnN (n=4-12): Vacuum-ultraviolet (VUV) photoionization experiments and theoretical calculations

    SciTech Connect

    Kostko, Oleg; Zhou, Jia; Sun, Bian Jian; Lie, Jie Shiuan; Chang, Agnes H.H.; Kaiser, Ralf I.; Ahmed, Musahid

    2010-06-10

    Results from single photon vacuum ultraviolet photoionization of astrophysically relevant CnN clusters, n = 4 - 12, in the photon energy range of 8.0 eV to 12.8 eV are presented. The experimental photoionization efficiency curves, combined with electronic structure calculations, provide improved ionization energies of the CnN species. A search through numerous nitrogen-terminated CnN isomers for n=4-9 indicates that the linear isomer has the lowest energy, and therefore should be the most abundant isomer in the molecular beam. Comparison with calculated results also shed light on the energetics of the linear CnN clusters, particularly in the trends of the even-carbon and the odd-carbon series. These results can help guide the search of potential astronomical observations of these neutral molecules together with their cations in highly ionized regions or regions with a high UV/VUV photon flux (ranging from the visible to VUV with flux maxima in the Lyman- region) in the interstellar medium.

  11. Determination of ionization energies of CnN (n=4-12): Vacuum-ultraviolet (VUV) photoionization experiments and theoretical calculations

    SciTech Connect

    Kostko, Oleg; Zhou, Jia; Sun, Bian Jian; Lie, Jie Shiuan; Chang, Agnes H.H.; Kaiser, Ralf I.; Ahmed, Musahid

    2010-03-02

    Results from single photon vacuum ultraviolet photoionization of astrophysically relevant CnN clusters, n = 4 - 12, in the photon energy range of 8.0 eV to 12.8 eV are presented. The experimental photoionization efficiency curves, combined with electronic structure calculations, provide improved ionization energies of the CnN species. A search through numerous nitrogen-terminated CnN isomers for n=4-9 indicates that the linear isomer has the lowest energy, and therefore should be the most abundant isomer in the molecular beam. Comparison with calculated results also shed light on the energetics of the linear CnN clusters, particularly in the trends of the even-carbon and the odd-carbon series. These results can help guide the search of potential astronomical observations of these neutral molecules together with their cations in highly ionized regions or regions with a high UV/VUV photon flux (ranging from the visible to VUV with flux maxima in the Lyman-a region) in the interstellar medium.

  12. High energy photon reference for radiation protection: technical design of the LINAC beam and ionization chambers; and calculation of monoenergetic conversion coefficients

    NASA Astrophysics Data System (ADS)

    Dusciac, D.; Bordy, J.-M.; Daures, J.; Blideanu, V.

    2016-09-01

    In this work, we present the results of the first part of a research project aimed at offering a complete response to dosimeters providers and nuclear physicists' demands for high-energy (6 - 9 MeV) photon beams for radiation protection purposes. Classical facilities allowing the production of high-energy photonic radiation (proton accelerators, nuclear reactors) are very rare and need large investment for development and use. A novel solution is proposed, consisting in the use of a medical linear accelerator, allowing a significant decrease of all costs.Using Monte Carlo simulations (MCNP5 and PENELOPE codes), a specifically designed electron-photon conversion target allowing for obtaining a high energy photon beam (with an average energy weighted by fluence of about 6 MeV) has been built for radiation protection purposes. Due to the specific design of the target, this "realistic" radiation protection high-energy photon beam presents a uniform distribution of air kerma rate at a distance of 1 m, over a 30 × 30 cm2 surface. Two graphite cavity ionizing chambers for ionometric measurements have been built. For one of these chambers, the charge collection volume has been measured allowing for its use as a primary standard. The second ionizing chamber is used as a transfer standard; as such it has been calibrated in a 60Co beam, and in the high energy photon beam for radiation protection.The measurements with these ionizing chambers allowed for an evaluation of the air kerma rate in the LINAC based high-energy photon beam for radiation protection: the values cover a range between 36 mGy/h and 210 mGy/h, compatible with radiation protection purposes.Finally, using Monte Carlo simulations, conversion coefficients from air kerma to dose equivalent quantities have been calculated in the range between 10 keV and 22.4 MeV, for the spectral distribution of the fluence corresponding to the beam produced by the linear accelerator of the LNE-LNHB.

  13. Search for metastable heavy charged particles with large ionization energy loss in p p collisions at √{s }=13 TeV using the ATLAS experiment

    NASA Astrophysics Data System (ADS)

    Aaboud, M.; Aad, G.; Abbott, B.; Abdallah, J.; Abdinov, O.; Abeloos, B.; Aben, R.; Abouzeid, O. S.; Abraham, N. L.; Abramowicz, H.; Abreu, H.; Abreu, R.; Abulaiti, Y.; Acharya, B. S.; Adamczyk, L.; Adams, D. L.; Adelman, J.; Adomeit, S.; Adye, T.; Affolder, A. A.; Agatonovic-Jovin, T.; Agricola, J.; Aguilar-Saavedra, J. A.; Ahlen, S. P.; Ahmadov, F.; Aielli, G.; Akerstedt, H.; Åkesson, T. P. A.; Akimov, A. V.; Alberghi, G. L.; Albert, J.; Albrand, S.; Alconada Verzini, M. J.; Aleksa, M.; Aleksandrov, I. N.; Alexa, C.; Alexander, G.; Alexopoulos, T.; Alhroob, M.; Aliev, M.; Alimonti, G.; Alison, J.; Alkire, S. P.; Allbrooke, B. M. M.; Allen, B. W.; Allport, P. P.; Aloisio, A.; Alonso, A.; Alonso, F.; Alpigiani, C.; Alstaty, M.; Alvarez Gonzalez, B.; Álvarez Piqueras, D.; Alviggi, M. G.; Amadio, B. T.; Amako, K.; Amaral Coutinho, Y.; Amelung, C.; Amidei, D.; Amor Dos Santos, S. P.; Amorim, A.; Amoroso, S.; Amundsen, G.; Anastopoulos, C.; Ancu, L. S.; Andari, N.; Andeen, T.; Anders, C. F.; Anders, G.; Anders, J. K.; Anderson, K. J.; Andreazza, A.; Andrei, V.; Angelidakis, S.; Angelozzi, I.; Anger, P.; Angerami, A.; Anghinolfi, F.; Anisenkov, A. V.; Anjos, N.; Annovi, A.; Antonelli, M.; Antonov, A.; Anulli, F.; Aoki, M.; Aperio Bella, L.; Arabidze, G.; Arai, Y.; Araque, J. P.; Arce, A. T. H.; Arduh, F. A.; Arguin, J.-F.; Argyropoulos, S.; Arik, M.; Armbruster, A. J.; Armitage, L. J.; Arnaez, O.; Arnold, H.; Arratia, M.; Arslan, O.; Artamonov, A.; Artoni, G.; Artz, S.; Asai, S.; Asbah, N.; Ashkenazi, A.; Åsman, B.; Asquith, L.; Assamagan, K.; Astalos, R.; Atkinson, M.; Atlay, N. B.; Augsten, K.; Avolio, G.; Axen, B.; Ayoub, M. K.; Azuelos, G.; Baak, M. A.; Baas, A. E.; Baca, M. J.; Bachacou, H.; Bachas, K.; Backes, M.; Backhaus, M.; Bagiacchi, P.; Bagnaia, P.; Bai, Y.; Baines, J. T.; Baker, O. K.; Baldin, E. M.; Balek, P.; Balestri, T.; Balli, F.; Balunas, W. K.; Banas, E.; Banerjee, Sw.; Bannoura, A. A. E.; Barak, L.; Barberio, E. L.; Barberis, D.; Barbero, M.; Barillari, T.; Barklow, T.; Barlow, N.; Barnes, S. L.; Barnett, B. M.; Barnett, R. M.; Barnovska, Z.; Baroncelli, A.; Barone, G.; Barr, A. J.; Barranco Navarro, L.; Barreiro, F.; Barreiro Guimarães da Costa, J.; Bartoldus, R.; Barton, A. E.; Bartos, P.; Basalaev, A.; Bassalat, A.; Bates, R. L.; Batista, S. J.; Batley, J. R.; Battaglia, M.; Bauce, M.; Bauer, F.; Bawa, H. S.; Beacham, J. B.; Beattie, M. D.; Beau, T.; Beauchemin, P. H.; Bechtle, P.; Beck, H. P.; Becker, K.; Becker, M.; Beckingham, M.; Becot, C.; Beddall, A. J.; Beddall, A.; Bednyakov, V. A.; Bedognetti, M.; Bee, C. P.; Beemster, L. J.; Beermann, T. A.; Begel, M.; Behr, J. K.; Belanger-Champagne, C.; Bell, A. S.; Bella, G.; Bellagamba, L.; Bellerive, A.; Bellomo, M.; Belotskiy, K.; Beltramello, O.; Belyaev, N. L.; Benary, O.; Benchekroun, D.; Bender, M.; Bendtz, K.; Benekos, N.; Benhammou, Y.; Benhar Noccioli, E.; Benitez, J.; Benjamin, D. P.; Bensinger, J. R.; Bentvelsen, S.; Beresford, L.; Beretta, M.; Berge, D.; Bergeaas Kuutmann, E.; Berger, N.; Beringer, J.; Berlendis, S.; Bernard, N. R.; Bernius, C.; Bernlochner, F. U.; Berry, T.; Berta, P.; Bertella, C.; Bertoli, G.; Bertolucci, F.; Bertram, I. A.; Bertsche, C.; Bertsche, D.; Besjes, G. J.; Bessidskaia Bylund, O.; Bessner, M.; Besson, N.; Betancourt, C.; Bethke, S.; Bevan, A. J.; Bhimji, W.; Bianchi, R. M.; Bianchini, L.; Bianco, M.; Biebel, O.; Biedermann, D.; Bielski, R.; Biesuz, N. V.; Biglietti, M.; Bilbao de Mendizabal, J.; Bilokon, H.; Bindi, M.; Binet, S.; Bingul, A.; Bini, C.; Biondi, S.; Bjergaard, D. M.; Black, C. W.; Black, J. E.; Black, K. M.; Blackburn, D.; Blair, R. E.; Blanchard, J.-B.; Blanco, J. E.; Blazek, T.; Bloch, I.; Blocker, C.; Blum, W.; Blumenschein, U.; Blunier, S.; Bobbink, G. J.; Bobrovnikov, V. S.; Bocchetta, S. S.; Bocci, A.; Bock, C.; Boehler, M.; Boerner, D.; Bogaerts, J. A.; Bogavac, D.; Bogdanchikov, A. G.; Bohm, C.; Boisvert, V.; Bokan, P.; Bold, T.; Boldyrev, A. S.; Bomben, M.; Bona, M.; Boonekamp, M.; Borisov, A.; Borissov, G.; Bortfeldt, J.; Bortoletto, D.; Bortolotto, V.; Bos, K.; Boscherini, D.; Bosman, M.; Bossio Sola, J. D.; Boudreau, J.; Bouffard, J.; Bouhova-Thacker, E. V.; Boumediene, D.; Bourdarios, C.; Boutle, S. K.; Boveia, A.; Boyd, J.; Boyko, I. R.; Bracinik, J.; Brandt, A.; Brandt, G.; Brandt, O.; Bratzler, U.; Brau, B.; Brau, J. E.; Braun, H. M.; Breaden Madden, W. D.; Brendlinger, K.; Brennan, A. J.; Brenner, L.; Brenner, R.; Bressler, S.; Bristow, T. M.; Britton, D.; Britzger, D.; Brochu, F. M.; Brock, I.; Brock, R.; Brooijmans, G.; Brooks, T.; Brooks, W. K.; Brosamer, J.; Brost, E.; Broughton, J. H.; Bruckman de Renstrom, P. A.; Bruncko, D.; Bruneliere, R.; Bruni, A.; Bruni, G.; Brunt, Bh; Bruschi, M.; Bruscino, N.; Bryant, P.

    2016-06-01

    This paper presents a search for massive charged long-lived particles produced in p p collisions at √{s }=13 TeV at the LHC using the ATLAS experiment. The data set used corresponds to an integrated luminosity of 3.2 fb-1. Many extensions of the Standard Model predict the existence of massive charged long-lived particles, such as R -hadrons. These massive particles are expected to be produced with a velocity significantly below the speed of light, and therefore to have a specific ionization higher than any Standard Model particle of unit charge at high momenta. The Pixel subsystem of the ATLAS detector is used to measure the ionization energy loss of reconstructed charged particles and to search for such highly ionizing particles. The search presented here has much greater sensitivity than a similar search performed using the ATLAS detector in the √{s }=8 TeV data set, thanks to the increase in expected signal cross section due to the higher center-of-mass energy of collisions, to an upgraded detector with a new silicon layer close to the interaction point, and to analysis improvements. No significant deviation from Standard Model background expectations is observed, and lifetime-dependent upper limits on R -hadron production cross sections and masses are set. Gluino R -hadrons with lifetimes above 0.4 ns and decaying to q q ¯ plus a 100 GeV neutralino are excluded at the 95% confidence level, with lower mass limit ranging between 740 and 1590 GeV. In the case of stable R -hadrons the lower mass limit at the 95% confidence level is 1570 GeV.

  14. Comparison of the Internal Energy Deposition of Venturi-Assisted Electrospray Ionization and a Venturi-Assisted Array of Micromachined UltraSonic Electrosprays (AMUSE)

    PubMed Central

    Hampton, Christina Y.; Silvestri, Catherine J.; Forbes, Thomas P.; Varady, Mark J.; Meacham, J. Mark; Fedorov, Andrei G.; Degertekin, F. Levent; Fernández, Facundo M.

    2008-01-01

    The internal energy deposition of a Venturi-assisted array of micromachined ultrasonic electrosprays (AMUSE), with and without the application of a DC charging potential, is compared with equivalent experiments for Venturi-assisted electrospray ionization (ESI) using the “survival yield” method on a series of para-substituted benzylpyridinium salts. Under conditions previously shown to provide maximum ion yields for standard compounds, the observed mean internal energies were nearly identical (1.93–2.01eV). Operation of AMUSE without nitrogen flow to sustain the air amplifier focusing effect generated energetically-colder ions with mean internal energies that were up to 39% lower than those for ESI. A balance between improved ion transfer, adequate desolvation and favorable ion energetics was achieved by selection of optimum operational ranges for the parameters that most strongly influence the ion population, namely the air amplifier gas flow rate and API capillary temperature. Examination of the energy landscapes obtained for combinations of these parameters showed that a low internal energy region (≤ 1.0 eV) was present at nitrogen flow rates between 2 – 4 L min−1 and capillary temperatures up to 250°C using ESI (9% of all parameter combinations tested). Using AMUSE, this region was present at nitrogen flow rates up to 2.5 L min−1 and all capillary temperatures (13% of combinations tested). The signal-to-noise ratio (S/N) of the intact p-methylbenzylpyridinium ion obtained from a 5 μM mixture of thermometer compounds using AMUSE at the extremes of the studied temperature range was at least 5 times higher than that of ESI demonstrating the potential of AMUSE ionization as a soft method for the characterization of labile species by mass spectrometry. PMID:18650100

  15. Comparison of the internal energy deposition of Venturi-assisted electrospray ionization and a Venturi-assisted array of micromachined ultrasonic electrosprays (AMUSE).

    PubMed

    Hampton, Christina Y; Silvestri, Catherine J; Forbes, Thomas P; Varady, Mark J; Meacham, J Mark; Fedorov, Andrei G; Degertekin, F Levent; Fernández, Facundo M

    2008-09-01

    The internal energy deposition of a Venturi-assisted array of micromachined ultrasonic electrosprays (AMUSE), with and without the application of a DC charging potential, is compared with equivalent experiments for Venturi-assisted electrospray ionization (ESI) using the "survival yield" method on a series of para-substituted benzylpyridinium salts. Under conditions previously shown to provide maximum ion yields for standard compounds, the observed mean internal energies were nearly identical (1.93-2.01 eV). Operation of AMUSE without nitrogen flow to sustain the air amplifier focusing effect generated energetically colder ions with mean internal energies that were up to 39% lower than those for ESI. A balance between improved ion transfer, adequate desolvation, and favorable ion energetics was achieved by selection of optimum operational ranges for the parameters that most strongly influence the ion population: the air amplifier gas flow rate and API capillary temperature. Examination of the energy landscapes obtained for combinations of these parameters showed that a low internal energy region (ionization as a soft method for the characterization of labile species by mass spectrometry.

  16. Ionization chamber

    DOEpatents

    Walenta, Albert H.

    1981-01-01

    An ionization chamber has separate drift and detection regions electrically isolated from each other by a fine wire grid. A relatively weak electric field can be maintained in the drift region when the grid and another electrode in the chamber are connected to a high voltage source. A much stronger electric field can be provided in the detection region by connecting wire electrodes therein to another high voltage source. The detection region can thus be operated in a proportional mode when a suitable gas is contained in the chamber. High resolution output pulse waveforms are provided across a resistor connected to the detection region anode, after ionizing radiation enters the drift region and ionize the gas.

  17. A comparative study on carbon, boron-nitride, boron-phosphide and silicon-carbide nanotubes based on surface electrostatic potentials and average local ionization energies.

    PubMed

    Esrafili, Mehdi D; Behzadi, Hadi

    2013-06-01

    A density functional theory study was carried out to predict the electrostatic potentials as well as average local ionization energies on both the outer and the inner surfaces of carbon, boron-nitride (BN), boron-phosphide (BP) and silicon-carbide (SiC) single-walled nanotubes. For each nanotube, the effect of tube radius on the surface potentials and calculated average local ionization energies was investigated. It is found that SiC and BN nanotubes have much stronger and more variable surface potentials than do carbon and BP nanotubes. For the SiC, BN and BP nanotubes, there are characteristic patterns of positive and negative sites on the outer lateral surfaces. On the other hand, a general feature of all of the systems studied is that stronger potentials are associated with regions of higher curvature. According to the evaluated surface electrostatic potentials, it is concluded that, for the narrowest tubes, the water solubility of BN tubes is slightly greater than that of SiC followed by carbon and BP nanotubes.

  18. Absolute dose measurements by means of a small cylindrical ionization chamber for very high dose per pulse high energy electron beams

    SciTech Connect

    Karaj, E.; Righi, S.; Di Martino, F.

    2007-03-15

    Very high dose per pulse (3-13 cGy/pulse) high energy electron beams are currently produced by special linear accelerators (linac) dedicated to Intra Operative Radiation Therapy (IORT). The electron beams produced by such linacs are collimated by special Perspex applicators of various size and cylindrically shaped. The biggest problems from the dosimetric point of view are caused by the high dose-per-pulse values and the use of inclined applicators. In this work measurements of absolute dose for the inclined applicators were done by using a small cylindrical ionization chamber, type CC01 (Wellhofer), a parallel plane ionization chamber type Markus (PTW 23343) and radiochromic films type EBT. We show a method which allows calculating the quality correction factors for CC01 chamber with an uncertainty of 1% and the absolute dose value for the inclined applicators using CC01 with an uncertainty of 3.1% for electron beams of energy of 6 and 7 MeV produced by the linac dedicated to IORT Novac7.

  19. Electron transfer, excitation, and ionization in {alpha}-H collisions studied with a Sturmian basis

    SciTech Connect

    Winter, Thomas G.

    2007-12-15

    Cross sections have been determined for electron transfer, direct excitation, and ionization in collisions between {alpha} particles and H(1s) atoms at {alpha} energies 3 keV-38.4 MeV, extending earlier work [Phys. Rev. A 25, 697 (1982)] restricted to total transfer at 20-200 keV. Transfer as well as excitation cross sections into individual states up to 3d have been determined with several coupled-Sturmian pseudostate bases, and tests of basis sensitivity have been carried out. These and ionization cross sections have been compared with existing experimental and other coupled-state results. Structure is observed in the lower-energy excitation cross sections, which is believed not to be an artifact of the bases used. Ionization and excitation cross sections have also been compared with corresponding Born results at higher energies.

  20. IONIZATION CHAMBER

    DOEpatents

    Redman, W.C.; Shonka, F.R.

    1958-02-18

    This patent describes a novel ionization chamber which is well suited to measuring the radioactivity of the various portions of a wire as the wire is moved at a uniform speed, in order to produce the neutron flux traverse pattern of a reactor in which the wire was previously exposed to neutron radiation. The ionization chamber of the present invention is characterized by the construction wherein the wire is passed through a tubular, straight electrode and radiation shielding material is disposed along the wire except at an intermediate, narrow area where the second electrode of the chamber is located.

  1. SU-D-19A-01: Can Farmer-Type Ionization Chambers Be Used to Improve the Accuracy of Low-Energy Electron Beam Reference Dosimetry?

    SciTech Connect

    Muir, B R; McEwen, M R

    2014-06-01

    Purpose: To investigate the use of cylindrical Farmer-type ionization chambers to improve the accuracy of low-energy electron beam calibration. Historically, these chamber types have not been used in beams with incident energies less than 10 MeV (R{sub 5} {sub 0} < 4.3 cm) because early investigations suggested large (up to 5 %) fluence perturbation factors in these beams, implying that a significant component of uncertainty would be introduced if used for calibration. More recently, the assumptions used to determine perturbation corrections for cylindrical chambers have been questioned. Methods: Measurements are made with cylindrical chambers in Elekta Precise 4, 8 and 18 MeV electron beams. Several chamber types are investigated that employ graphite walls and aluminum electrodes with very similar specifications (NE2571, NE2505/3, FC65-G). Depth-ionization scans are measured in water in the 8 and 18 MeV beams. To reduce uncertainty from chamber positioning, measurements in the 4 MeV beam are made at the reference depth in Virtual Water™. The variability of perturbation factors is quantified by comparing normalized response of various chambers. Results: Normalized ion chamber response varies by less than 0.7 % for similar chambers at average electron energies corresponding to that at the reference depth from 4 or 6 MeV beams. Similarly, normalized measurements made with similar chambers at the reference depth in the 4 MeV beam vary by less than 0.4 %. Absorbed dose calibration coefficients derived from these results are stable within 0.1 % on average over a period of 6 years. Conclusion: These results indicate that the uncertainty associated with differences in fluence perturbations for cylindrical chambers with similar specifications is only 0.2 %. The excellent long-term stability of these chambers in both photon and electron beams suggests that these chambers might offer the best performance for all reference dosimetry applications.

  2. [Cytogenetic damage to the corneal epithelium of mice due to the in vivo exposure to ionizing radiation with different levels of linear energy transfer].

    PubMed

    Vorozhtsova, S V; Bulynina, T M; Molokanov, A G; Ivanov, A A

    2015-01-01

    Damages to corneal epithelium cells were studied in mice irradiated by protons with the energies of 10, 25, 50 and 645 MeV, 60Co γ-quanta and accelerated ions of boron, carbon and neon with the energies of 7.5; 2.5 and 6.0 MeV/nucleon, respectively. X-rays (180 keV) were used as a standard radiation. Animals were exposed to a single dose in the range from 25 to 760 cGy. The mitotic index and aberrant mitoses were counted in corneal preparations in 24 hrs after irradiation. No matter the type of radiation, the mitotic index had an inverse dose dependence, i.e. the higher the dose, the lower the mitotic index. Exposure to all types of radiation resulted in a sharp increase in the number of chromosomal aberrations in the corneal epithelium; frequency of aberrations was a function of dose and type of radiation. The number of chromosomal aberrations displayed a peculiar direct dose dependence irrespective of type of radiation; however, heavy ions of carbon and boron are the most damaging to the cytogenetic apparatus of epithelial cells. Protons at the Bragg peak and ensuing fall, and of 50 MeV also contribute to the production of chromosomal aberrations as compared with sparsely ionizing gamma- and X-rays and high-energy protons with low linear energy transfer. Coefficients of relative biological effectiveness were calculated based on the mitotic index and evidence of aberrant mitosis.

  3. Energy deficit of pulsed-laser field-ionized and field-emitted ions from non-metallic nano-tips

    SciTech Connect

    Arnoldi, L.; Silaeva, E. P.; Gaillard, A.; Vurpillot, F.; Blum, I.; Rigutti, L.; Deconihout, B.; Vella, A.

    2014-05-28

    The energy deficit of pulsed-laser field-evaporated ions and field-ionized atoms of an inert gas from the surface of a non-metallic nano-metric tip is reported as a function of the laser intensity, ion current, and temperature. A new model is proposed to explain these results, taking into account the resistive properties of non-metallic nano-tips. A good agreement between the theoretical predictions and the experimental results is obtained for all parameters investigated experimentally. This model is also used to discuss the evaporation behavior of oxides analyzed in laser-assisted atom probe tomography. New insight into the contribution of the electrostatic field and the laser illumination on the evaporation process of non-metallic materials is given.

  4. VUV and soft x-ray ionization of a plant volatile: Vanillin (C8H8O3).

    PubMed

    Betancourt, A Moreno; Coutinho, L H; Bernini, R B; de Moura, C E V; Rocha, A B; de Souza, G G B

    2016-03-21

    Plant volatiles are emitted by plants in response to several forms of stress, including interaction with energetic photons. In the present work, we discuss the interaction of extreme UV and soft X-ray photons with a plant volatile, vanillin. The single and double (multiple) ionization of the vanillin molecule have been studied for the first time using time-of-flight mass spectrometry and VUV and soft X-ray photons (synchrotron radiation, at 12.0 eV, 21.2 eV, 130 eV, 310 eV, 531 eV, and 550 eV). At 12.0 and 21.2 eV, only singly charged species are observed and the parent ion, C8H8O3 (+), is the dominant species. Energy differences for some selected fragments were calculated theoretically in this energy region. At 130 eV, direct double and triple ionization of the valence electrons may occur. The fragmentation increases and CHO(+) becomes one of the main cations in the mass spectrum. The molecular ion is still the dominant species, but other fragments, such as C6H5O(+), begin to present similar intensities. At 310 eV, C 1s electrons may be ionized and Auger processes give rise to dissociative doubly ionized cations. Ionization around the O 1s edge has been studied both at the 531 eV resonance and above the ionization edge. Resonant and normal Auger processes play a significant role in each case and a large fragmentation of the molecule is observed at both photon energies, with intense fragments such as CHO(+) and CH3 (+) being clearly observed. A near edge X-ray absorption fine structure spectrum of the vanillin molecule was obtained around the O 1s ionization threshold. In addition, the fragmentation of vanillin has also been studied using a fast beam of electrons (800 eV), for the sake of comparison.

  5. VUV and soft x-ray ionization of a plant volatile: Vanillin (C8H8O3)

    NASA Astrophysics Data System (ADS)

    Betancourt, A. Moreno; Coutinho, L. H.; Bernini, R. B.; de Moura, C. E. V.; Rocha, A. B.; de Souza, G. G. B.

    2016-03-01

    Plant volatiles are emitted by plants in response to several forms of stress, including interaction with energetic photons. In the present work, we discuss the interaction of extreme UV and soft X-ray photons with a plant volatile, vanillin. The single and double (multiple) ionization of the vanillin molecule have been studied for the first time using time-of-flight mass spectrometry and VUV and soft X-ray photons (synchrotron radiation, at 12.0 eV, 21.2 eV, 130 eV, 310 eV, 531 eV, and 550 eV). At 12.0 and 21.2 eV, only singly charged species are observed and the parent ion, C8H8O3+, is the dominant species. Energy differences for some selected fragments were calculated theoretically in this energy region. At 130 eV, direct double and triple ionization of the valence electrons may occur. The fragmentation increases and CHO+ becomes one of the main cations in the mass spectrum. The molecular ion is still the dominant species, but other fragments, such as C6H5O+, begin to present similar intensities. At 310 eV, C 1s electrons may be ionized and Auger processes give rise to dissociative doubly ionized cations. Ionization around the O 1s edge has been studied both at the 531 eV resonance and above the ionization edge. Resonant and normal Auger processes play a significant role in each case and a large fragmentation of the molecule is observed at both photon energies, with intense fragments such as CHO+ and CH3+ being clearly observed. A near edge X-ray absorption fine structure spectrum of the vanillin molecule was obtained around the O 1s ionization threshold. In addition, the fragmentation of vanillin has also been studied using a fast beam of electrons (800 eV), for the sake of comparison.

  6. Fast analysis of high-energy compounds and agricultural chemicals in water with desorption electrospray ionization mass spectrometry.

    PubMed

    Mulligan, Christopher C; MacMillan, Denise K; Noll, Robert J; Cooks, R Graham

    2007-01-01

    Novel sampling and detection methods using desorption electrospray ionization (DESI) are examined in the detection of explosives (RDX, TNT, HMX, and TNB) and agricultural chemicals (atrazine, alachlor and acetochlor) from aqueous matrices and authentic contaminated groundwater samples. DESI allows analysis of solid and liquid compounds directly from surfaces of interest with little or no sample preparation. Significant savings in analysis time and sample preparation are realized. The methods investigated here include (i) immediate analysis of filter paper wetted with contaminated water samples without further sample preparation, (ii) rapid liquid-liquid extraction (LLE), and (iii) analyte extraction from contaminated groundwater samples on-site using solid-phase extraction (SPE) membranes, followed by direct DESI analysis of the membrane. The wetted filter paper experiment demonstrates the maximum sample throughput for DESI analysis of aqueous matrices but has inadequate sensitivity for some of these analytes. Both the LLE and the SPE methods have adequate sensitivity. The resulting SPE membranes and/or small volume solvent extracts produced in these experiments are readily transported to off-site facilities for direct analysis by DESI. This realizes a significant reduction in the costs of sample shipping compared with those for typical liter-sized samples of groundwater. Total analysis times for these preliminary DESI analyses are comparable with or shorter than those for GC/MS and limits of detection approach environmental action levels for these compounds while maintaining a modest relative standard deviation. Tandem mass spectrometric data is used to provide additional specificity as needed.

  7. New Insights into the Mechanism Underlying the Synergistic Action of Ionizing Radiation With Platinum Chemotherapeutic Drugs: The Role of Low-Energy Electrons

    SciTech Connect

    Rezaee, Mohammad Hunting, Darel John; Sanche, Léon

    2013-11-15

    Purpose: To investigate the efficiencies of platinum chemotherapeutic drugs (Pt-drugs) in the sensitization of DNA to the direct effects of ionizing radiation and to determine the role of low-energy electrons (LEEs) in this process. Methods and Materials: Complexes of supercoiled plasmid DNA covalently bound to either cisplatin, carboplatin, or oxaliplatin were prepared in different molar ratios. Solid films of DNA and DNA modified by Pt-drugs were irradiated with either 10-KeV or 10-eV electrons. Damages to DNA were quantified by gel electrophoresis, and the yields for damage formation were obtained from exposure–response curves. Results: The presence of an average of 2 Pt-drug–DNA adducts (Pt-adducts) in 3199-bp plasmid DNA increases the probability of a double-strand break by factors of 3.1, 2.5, and 2.4 for carboplatin, cisplatin, and oxaliplatin, respectively. Electrons with energies of 10 eV and 10 KeV interact with Pt-adducts to preferentially enhance the formation of cluster lesions. The maximum increase in radiosensitivity per Pt-adduct is found at ratios up to 3.1 × 10{sup −4} Pt-adducts per nucleotide, which is equivalent to an average of 2 adducts per plasmid. Carboplatin and oxaliplatin show higher efficiencies than cisplatin in the radiosensitization of DNA. Because carboplatin and cisplatin give rise to identical reactive species that attach to DNA, carboplatin must be considered as a better radiosensitizer for equal numbers of Pt-adducts. Conclusion: Platinum chemotherapeutic drugs preferentially enhance the formation of cluster damage to DNA induced by the direct effect of ionizing radiation, and LEEs are the main species responsible for such an enhancement via the formation of electron resonances.

  8. New Insights into the Mechanism Underlying the Synergistic Action of Ionizing Radiation with Platinum Chemotherapeutic Drugs: The Role of Low-Energy Electrons

    PubMed Central

    Rezaee, Mohammad; Hunting, Darel John; Sanche, Léon

    2013-01-01

    Purpose To investigate the efficiencies of platinum chemotherapeutic drugs (Pt-drugs) in the sensitization of DNA to the direct effects of ionizing radiation and to determine the role of low-energy electrons (LEEs) in this process. Methods and Materials Complexes of supercoiled plasmid DNA covalently bound to either cisplatin, carboplatin or oxaliplatin were prepared in different molar ratios. Solid films of DNA and DNA modified by Pt-drugs were irradiated with either 10-KeV or 10-eV electrons. DNA damages were quantified by gel electrophoresis, and the yields for damage formation were obtained from exposure-response curves. Results The presence of an average of two Pt-adducts in 3199-bp plasmid DNA increases the probability of a double-strand break by factors of 3.1, 2.5 and 2.4 for carboplatin, cisplatin and oxaliplatin, respectively. Electrons with energies of 10-eV and 10-KeV interact with Pt-adducts to preferentially enhance the formation of cluster lesions. The maximum increase in radiosensitivity per Pt-adduct is found at ratios up to 3.1 × 10−4 Pt-adducts per nucleotide which is equivalent to an average of two adducts per plasmid. Carboplatin and oxaliplatin show higher efficiencies than cisplatin in the radiosensitization of DNA. Since carboplatin and cisplatin give rise to identical reactive species which attach to DNA, carboplatin must be considered as a better radiosensitizers for equal number of Pt-adducts. Conclusion Pt-drugs preferentially enhance the formation of cluster damage to DNA induced by the direct effect of ionizing radiation and LEEs are the main species responsible for such an enhancement via the formation of electron resonances. PMID:23910707

  9. Gridded electron reversal ionizer

    NASA Technical Reports Server (NTRS)

    Chutjian, Ara (Inventor)

    1993-01-01

    A gridded electron reversal ionizer forms a three dimensional cloud of zero or near-zero energy electrons in a cavity within a filament structure surrounding a central electrode having holes through which the sample gas, at reduced pressure, enters an elongated reversal volume. The resultant negative ion stream is applied to a mass analyzer. The reduced electron and ion space-charge limitations of this configuration enhances detection sensitivity for material to be detected by electron attachment, such as narcotic and explosive vapors. Positive ions may be generated by generating electrons having a higher energy, sufficient to ionize the target gas and pulsing the grid negative to stop the electron flow and pulsing the extraction aperture positive to draw out the positive ions.

  10. Inner-shell ionization of lithium-like chromium ions

    SciTech Connect

    Vogel, D.A.; Beiersdorfer, P.; Marrs, R.E.; Wong, K.L.; Zasadzinski, R.

    1990-09-07

    We have used high-resolution x-ray spectroscopy to investigate inner-shell ionization of Cr{sup 21+} ions by electron impact using the Electron Beam Ion Trap at Lawrence Livermore Laboratory. Our measurements indicate that inner-shell ionization enhances the intensity of the radiative transition 1s2s {sup 3}S{sub 1}{yields}1s{sup 2}{sup 1}S{sub 0}. 7 refs., 4 figs., 1 tab.

  11. WE-EF-207-11: Energy and Depth Response of Thermoluminescent Dosimeters and Ionization Chambers in Water for Kilovoltage X-Ray Beams

    SciTech Connect

    Lawless, M; Palmer, B; DeWerd, L

    2015-06-15

    Purpose: To assess the effects of changes in beam quality on detector response in the kilovoltage energy range by modulating the x-ray tube voltage and the measurement depth in water. Methods: Measurements were performed with TLD-100 and TLD-100H thermoluminescent dosimeters and an A12 farmer-type ionization chamber. To assess the energy response of the detectors, irradiations were performed at a depth of 3 cm in a custom-built thin-window water phantom using the moderately filtered x-ray beams at the UWADCL (20 kVp-250 kVp) and a Co-60 beam.The x-ray beams and detectors were modeled using the EGSnrc Monte Carlo code. The model was validated by simulating dose to the collecting volume of an A12 farmer chamber and comparing it with measured A12 signal as a function of depth. Dose was tallied to each detector and to water for comparison with measurements. Simulations were used to calculate the predicted energy response, which was compared to the measured response of each detector. Dose to each detector and dose to water as a function of depth were also simulated. Results: Detector output per dose to water was found to deviate by up to 15%, 20% and 30% as a function of energy relative to Co-60 for the A12, TLD-100H and TLD-100, respectively. The EGSnrc simulations produced results similar to the measurements for ionization chambers, but discrepancies of up to 30% were observed for TLD-100H. Simulated detector response as a function of depth was found to vary by up to 3%. Conclusion: These results suggest that changes in beam quality in kilovoltage x-ray beams can have a significant impact on detector response. In-water detector response was found to differ from the previously investigated in-air response. Deviations in detector response as a function of depth were less significant, but could potentially cause dosimetric errors if ignored.

  12. Gadolinium (Gd) Oxide, Carbide, and Carbonyl Cation Bond Energies and Evaluation of the Gd + O → GdO(+) + e(-) Chemi-Ionization Reaction Enthalpy.

    PubMed

    Demireva, Maria; Kim, JungSoo; Armentrout, P B

    2016-11-03

    Guided ion beam mass spectrometry (GIBMS) is used to measure the kinetic energy dependent product ion cross sections for reactions of the lanthanide metal gadolinium cation (Gd(+)) with O2, CO2, and CO and for reactions of GdO(+) with CO, O2, and Xe. GdO(+) is formed through barrierless and exothermic processes in the reactions of Gd(+) with O2 and CO2. All other reactions observed are endothermic, and analyses of their kinetic energy dependent cross sections yield 0 K bond dissociation energies (BDEs) for GdO(+), GdC(+), and GdCO(+). The 0 K BDE for GdO(+) is determined from five different reactions to be 7.69 ± 0.10 eV, and this value is combined with literature data to derive the ionization energy (IE) of GdO as 5.82 ± 0.16 eV. Additionally, GdC(+) and GdCO(+) BDEs of 3.18 ± 0.18 eV and 0.65 ± 0.06 eV are obtained from analysis of the Gd(+) reactions with CO and CO2, respectively. Theoretical GdO(+), GdC(+), and GdCO(+) BDEs are calculated for comparison with experiment using various Gd basis sets with an effective core potential and several levels of theory. For calculations that correctly predict a (10)D ground state for Gd(+), good agreement between theoretical and measured GdC(+) and GdCO(+) BDEs is obtained, whereas the GdO(+) BDE is underestimated in these calculations by about 0.8 eV. Additional BDEs for GdO(+) and GdC(+) are calculated using triple- and quadruple-ζ correlation consistent all-electron basis sets for Gd. Calculations with these basis sets provide better agreement with experiment for GdO(+) but not for GdC(+). The measured Gd(+) oxide, carbide, and carbonyl BDEs are similar to those for the group 3 metal ions, Sc(+) and Y(+). This is attributed to similarities in the ground state electronic configurations of these metal ions leading to similar interaction strengths. The experimental GdO(+) BDE measured here combined with the known IE of Gd is used to determine an exothermicity of 1.54 ± 0.10 eV for the Gd chemi-ionization reaction

  13. Initial results of positron ionization mass spectrometry

    NASA Technical Reports Server (NTRS)

    Donohue, D. L.; Hulett, L. D., Jr.; Mcluckey, S. A.; Glish, G. L.; Eckenrode, B. A.

    1990-01-01

    The use of monoenergetic positrons for the ionization of organic molecules in the gas phase is described. The ionic products are analyzed with a time-of-flight mass spectrometer and detected to produce a mass spectrum. The ionization mechanisms which can be studied in this way include positron impact at energies above the ionization limit of the target molecules, positronium formation in the Ore gap energy range, and positron attachment at energies less than 1eV. The technique of positron ionization mass spectrometry (PIMS) may have analytical utility in that chemical selectivity is observed for one or more of these processes.

  14. NR2 and P3+: Accurate, Efficient Electron-Propagator Methods for Calculating Valence, Vertical Ionization Energies of Closed-Shell Molecules.

    PubMed

    Corzo, H H; Galano, Annia; Dolgounitcheva, O; Zakrzewski, V G; Ortiz, J V

    2015-08-20

    Two accurate and computationally efficient electron-propagator (EP) methods for calculating the valence, vertical ionization energies (VIEs) of closed-shell molecules have been identified through comparisons with related approximations. VIEs of a representative set of closed-shell molecules were calculated with EP methods using 10 basis sets. The most easily executed method, the diagonal, second-order (D2) EP approximation, produces results that steadily rise as basis sets are improved toward values based on extrapolated coupled-cluster singles and doubles plus perturbative triples calculations, but its mean errors remain unacceptably large. The outer valence Green function, partial third-order and renormalized partial third-order methods (P3+), which employ the diagonal self-energy approximation, produce markedly better results but have a greater tendency to overestimate VIEs with larger basis sets. The best combination of accuracy and efficiency with a diagonal self-energy matrix is the P3+ approximation, which exhibits the best trends with respect to basis-set saturation. Several renormalized methods with more flexible nondiagonal self-energies also have been examined: the two-particle, one-hole Tamm-Dancoff approximation (2ph-TDA), the third-order algebraic diagrammatic construction or ADC(3), the renormalized third-order (3+) method, and the nondiagonal second-order renormalized (NR2) approximation. Like D2, 2ph-TDA produces steady improvements with basis set augmentation, but its average errors are too large. Errors obtained with 3+ and ADC(3) are smaller on average than those of 2ph-TDA. These methods also have a greater tendency to overestimate VIEs with larger basis sets. The smallest average errors occur for the NR2 approximation; these errors decrease steadily with basis augmentations. As basis sets approach saturation, NR2 becomes the most accurate and efficient method with a nondiagonal self-energy.

  15. Resonance ionization for analytical spectroscopy

    DOEpatents

    Hurst, George S.; Payne, Marvin G.; Wagner, Edward B.

    1976-01-01

    This invention relates to a method for the sensitive and selective analysis of an atomic or molecular component of a gas. According to this method, the desired neutral component is ionized by one or more resonance photon absorptions, and the resultant ions are measured in a sensitive counter. Numerous energy pathways are described for accomplishing the ionization including the use of one or two tunable pulsed dye lasers.

  16. Influence of renormalization shielding on the electron-impact ionization process in dense partially ionized plasmas

    SciTech Connect

    Song, Mi-Young; Yoon, Jung-Sik; Jung, Young-Dae

    2015-04-15

    The renormalization shielding effects on the electron-impact ionization of hydrogen atom are investigated in dense partially ionized plasmas. The effective projectile-target interaction Hamiltonian and the semiclassical trajectory method are employed to obtain the transition amplitude as well as the ionization probability as functions of the impact parameter, the collision energy, and the renormalization parameter. It is found that the renormalization shielding effect suppresses the transition amplitude for the electron-impact ionization process in dense partially ionized plasmas. It is also found that the renormalization effect suppresses the differential ionization cross section in the peak impact parameter region. In addition, it is found that the influence of renormalization shielding on the ionization cross section decreases with an increase of the relative collision energy. The variations of the renormalization shielding effects on the electron-impact ionization cross section are also discussed.

  17. The effect of pi-stacking, h-bonding, and electrostatic interactions on the ionization energies of nucleic acid bases: adenine-adenine, thymine-thymine and adenine-thymine dimers

    SciTech Connect

    Bravaya, Ksenia B.; Kostko, Oleg; Ahmed, Musahid; Krylov, Anna I.

    2009-09-02

    A combined theoretical and experimental study of the ionized dimers of thymine and adenine, TT, AA, and AT, is presented. Adiabatic and vertical ionization energies(IEs) for monomers and dimers as well as thresholds for the appearance of the protonated species are reported and analyzed. Non-covalent interactions stronglyaffect the observed IEs. The magnitude and the nature of the effect is different for different isomers of the dimers. The computations reveal that for TT, the largestchanges in vertical IEs (0.4 eV) occur in asymmetric h-bonded and symmetric pi- stacked isomers, whereas in the lowest-energy symmetric h-bonded dimer the shiftin IEs is much smaller (0.1 eV). The origin of the shift and the character of the ionized states is different in asymmetric h-bonded and symmetric stacked isomers. Inthe former, the initial hole is localized on one of the fragments, and the shift is due to the electrostatic stabilization of the positive charge of the ionized fragment by thedipole moment of the neutral fragment. In the latter, the hole is delocalized, and the change in IE is proportional to the overlap of the fragments' MOs. The shifts in AAare much smaller due to a less effcient overlap and a smaller dipole moment. The ionization of the h-bonded dimers results in barrierless (or nearly barrierless) protontransfer, whereas the pi-stacked dimers relax to structures with the hole stabilized by the delocalization or electrostatic interactions.

  18. A G/NARRLI Effort. Measuring the Ionization Yield of Low-Energy Nuclear Recoils in Liquid Argon

    SciTech Connect

    Joshi, Tenzing Henry Yatish

    2014-01-01

    Liquid argon has long been used for particle detection due to its attractive drift properties, ample abundance, and reasonable density. The response of liquid argon to lowenergy O(102 -1044 eV) interactions is, however, largely unexplored. Weakly interacting massive particles such as neutrinos and hypothetical dark-matter particles (WIMPs) are predicted to coherently scatter on atomic nuclei, leaving only an isolated low-energy nuclear recoil as evidence. The response of liquid argon to low-energy nuclear recoils must be studied to determine the sensitivity of liquid argon based detectors to these unobserved interactions. Detectors sensitive to coherent neutrino-nucleus scattering may be used to monitor nuclear reactors from a distance, to detect neutrinos from supernova, and to test the predicted behavior of neutrinos. Additionally, direct detection of hypothetical weakly interacting dark matter would be a large step toward understanding the substance that accounts for nearly 27% of the universe. In this dissertation I discuss a small dual-phase (liquid-gas) argon proportional scintillation counter built to study the low-energy regime and several novel calibration and characterization techniques developed to study the response of liquid argon to low-energy O(102 -104 eV) interactions.

  19. Energy calculation of 2s2 1S, 2p2 1D, 3s2 1S, 3p2 1D, 3d2 1G, 4p2 1D, 4d2 1D, 4f2 1I doubly excited states using a new wave function to four terms for 2 ≤ Z ≤ 15

    NASA Astrophysics Data System (ADS)

    Sow, B.; Sow, M.; Gning, Y.; Traore, A.; Ndao, A. S.; Wague, A.

    2016-06-01

    Calculation of the energy levels of atoms and ions with 2 ≤ Z ≤ 15 are carried out in this paper using a Hyllerass approximation. The method used is one of Screen Constant by Nuclear Charge Unit to calculate the total energy of two-electron atomic systems in ground and different doubly excited states. Employing a new wave function including correlation, we were able to calculate excited states (nl)2 (n ≤ 4). The Comparison of these results with the ones of other methods shows a good agreement.

  20. Zero kinetic energy spectroscopy: mass-analyzed threshold ionization spectra of chromium sandwich complexes with alkylbenzenes, (η(6)-RPh)(2)Cr (R = Me, Et, i-Pr, t-Bu).

    PubMed

    Ketkov, Sergey Y; Selzle, Heinrich L; Cloke, F Geoffrey N; Markin, Gennady V; Shevelev, Yury A; Domrachev, Georgy A; Schlag, Edward W

    2010-10-28

    For over 25 years zero kinetic energy (ZEKE) spectroscopy has yielded a rich foundation of high-resolution results of molecular ions. This was based on the discovery in the late 60's of long-lived ion states throughout the ionization continuum of molecular ions. Here, an example is chosen from another fundamental system pioneered at this university. The mass-analyzed threshold ionization (MATI) spectra of jet-cooled chromium bisarene complexes (η(6)-RPh)(2)Cr (R = Me (1), Et (2), i-Pr (3), and t-Bu (4)) have been measured and interpreted on the basis of DFT calculations. The MATI spectra of complexes 1 and 2 appear to reveal features arising from ionizations of the isomers formed by the rotation of one arene ring relative to the other. The 1 and 2 MATI spectra show two intense peaks corresponding to the 0(0)(0) ionizations with inverse intensity ratios. As indicated by the DFT calculations, the intensity ratio change on going from 1 to 2 results from different isomers contributing to each MATI peak. The ionization energies corresponding to the 0(0)(0) peaks are 42746 ± 5 and 42809 ± 5 cm(-1) for compound 1 and 42379 ± 5 and 42463 ± 5 cm(-1) for complex 2. The 1 and 2 spectra show also the weaker features representing transitions to the vibrationally excited cationic levels, the signals of individual rotamers being detected and assigned on the basis of calculated vibrational frequencies. The MATI spectra of compounds 3 and 4 reveal only one strong peak because of close ionization potentials of the isomers contributing to the MATI signal. The 3 and 4 ionization energies are 42104 ± 5 and 41917 ± 5 cm(-1), respectively. The precise values of ionization energies obtained from the MATI spectra reveal a nonlinear dependence of the IE on the number of Me groups in the alkyl substituents of (η(6)-RPh)(2)Cr. This can be explained by an increase in the molecular zero point energies on methylation of the substituents.

  1. Measurement of the muonium 1S-2S transition frequency

    SciTech Connect

    Jungmann, K.; Baird, P.E.G.; Barr, J.R.M.; Berkeland, D.; Boshier, M.G.; Braun, B.; Eaton, G.H.; Ferguson, A.I.; Geerds, H.; Hughes, V.W.; Maas, F.; Matthias, B.E.; Matousek, P.; Persaud, M.; zu Putlitz, G.; Reinhard, I.; Riis, E.; Sandars, P.G.H.; Schwarz, W.; Toner, W.T.; Towrie, M.; Willmann, L.; Woodle, K.A.; Woodman, G.

    1995-04-01

    Resonant ionization spectroscopy has been employed for measuring the 1{sup 2}{ital S}{sub 1/2}{minus}2{sup 2}{ital S}{sub 1/2} frequency difference in the hydrogen-like muonium atom to 2 455 529 002(33)(46) MHz. The 1S-2S two-photon transition was induced Doppler-free using two counter-propagating laser beams. The 2S state was photo-ionized by a third photon from the same laser field. The measurement agrees with QED theory within two standard deviations. The mass of the positive muon can be extracted from the isotope shifts in this transition to hydrogen and deuterium to 105.658 80(29)(43) MeV/c{sup 2}. {copyright} 1995 {ital American} {ital Institute} {ital of} {ital Physics}

  2. Measurement of the muonium 1S-2S transition frequency

    SciTech Connect

    Jungmann, K.; Baird, P. E. G.; Barr, J. R. M.; Berkeland, D.; Boshier, M. G.; Braun, B.; Eaton, G. H.; Ferguson, A. I.; Geerds, H.; Hughes, V. W.; Maas, F.; Matthias, B. E.; Matousek, P.; Persaud, M.; Putlitz, G. zu; Reinhard, I.; Riis, E.; Sandars, P. G. H.; Schwarz, W.; Toner, W. T.

    1995-04-01

    Resonant ionization spectroscopy has been employed for measuring the 1{sup 2}S1/2-2{sup 2}S1/2 frequency difference in the hydrogen-like muonium atom to 2 455 529 002(33)(46) MHz. The 1S-2S two-photon transition was induced Doppler-free using two counter-propagating laser beams. The 2S state was photo-ionized by a third photon from the same laser field. The measurement agrees with QED theory within two standard deviations. The mass of the positive muon can be extracted from the isotope shifts in this transition to hydrogen and deuterium to 105.658 80(29)(43) MeV/c{sup 2}.

  3. Correlation of Hydrogen-Atom Abstraction Reaction Efficiencies for Aryl Radicals with their Vertical Electron Affinities and the Vertical Ionization Energies of the Hydrogen Atom Donors

    PubMed Central

    Jing, Linhong; Nash, John J.

    2009-01-01

    The factors that control the reactivities of aryl radicals toward hydrogen-atom donors were studied by using a dual-cell Fourier-transform ion cyclotron resonance mass spectrometer (FT – ICR). Hydrogen-atom abstraction reaction efficiencies for two substrates, cyclohexane and isopropanol, were measured for twenty-three structurally different, positively-charged aryl radicals, which included dehydrobenzenes, dehydronaphthalenes, dehydropyridines, and dehydro(iso)quinolines. A logarithmic correlation was found between the hydrogen-atom abstraction reaction efficiencies and the (calculated) vertical electron affinities (EA) of the aryl radicals. Transition state energies calculated for three of the aryl radicals with isopropanol were found to correlate linearly with their (calculated) EAs. No correlation was found between the hydrogen-atom abstraction reaction efficiencies and the (calculated) enthalpy changes for the reactions. Measurement of the reaction efficiencies for the reactions of several different hydrogen-atom donors with a few selected aryl radicals revealed a logarithmic correlation between the hydrogen-atom abstraction reaction efficiencies and the vertical ionization energies (IE) of the hydrogen-atom donors, but not the lowest homolytic X – H (X = heavy atom) bond dissociation energies of the hydrogen-atom donors. Examination of the hydrogen-atom abstraction reactions of twenty-nine different aryl radicals and eighteen different hydrogen-atom donors showed that the reaction efficiency increases (logarithmically) as the difference between the IE of the hydrogen-atom donor and the EA of the aryl radical decreases. This dependence is likely to result from the increasing polarization, and concomitant stabilization, of the transition state as the energy difference between the neutral and ionic reactants decreases. Thus, the hydrogen-atom abstraction reaction efficiency for an aryl radical can be “tuned” by structural changes that influence either

  4. Ionization of He, Ne, Ar, Kr, and Xe by proton impact: Single differential distributions in energy and angles

    NASA Astrophysics Data System (ADS)

    Miraglia, J. E.

    2009-02-01

    In this paper we report energy and angular distributions of electrons emitted in collisions of protons with neon-(F-,Ne0,Na+) , argon-(Cl-,Ar0,K+) , krypton-(Br-,Kr0,Rb+) , and xenon-(I-,Xe0) isoelectronic series for high and intermediate impact energies. Calculations were performed within the continuum distorted wave-eikonal initial-state method using an angular expansion in spherical harmonics and a numerical evaluation of the radial functions corresponding to both: the initial (bound) and the final (continuum) states in the same central potential. The first Born approximation was calculated on equal footing. The shellwise local plasma approximation was also calculated when possible. A complete and exhaustive comparison with the available experimental data is carried out. We have spanned almost all the published experiments in our range of interest. Successes and failures of the different theoretical methods are pointed out. Possible signatures of many-electron effects are noticed.

  5. Fluorescence resonance energy transfer (FRET) indicates that association with the type I ryanodine receptor (RyR1) causes reorientation of multiple cytoplasmic domains of the dihydropyridine receptor (DHPR) α(1S) subunit.

    PubMed

    Polster, Alexander; Ohrtman, Joshua D; Beam, Kurt G; Papadopoulos, Symeon

    2012-11-30

    The skeletal muscle dihydropyridine receptor (DHPR) in the t-tubular membrane serves as the Ca(2+) channel and voltage sensor for excitation-contraction (EC) coupling, triggering Ca(2+) release via the type 1 ryanodine receptor (RyR1) in the sarcoplasmic reticulum (SR). The two proteins appear to be physically linked, and both the α(1S) and β(1a) subunits of the DHPR are essential for EC coupling. Within α(1S), cytoplasmic domains of importance include the I-II loop (to which β(1a) binds), the II-III and III-IV loops, and the C terminus. However, the spatial relationship of these domains to one another has not been established. Here, we have taken the approach of measuring FRET between fluorescent proteins inserted into pairs of α(1S) cytoplasmic domains. Expression of these constructs in dyspedic (RyR1 null) and dysgenic (α(1S) null) myotubes was used to test for function and targeting to plasma membrane/SR junctions and to test whether the presence of RyR1 caused altered FRET. We found that in the absence of RyR1, measureable FRET occurred between the N terminus and C terminus (residue 1636), and between the II-III loop (residue 626) and both the N and C termini; the I-II loop (residue 406) showed weak FRET with the II-III loop but not with the N terminus. Association with RyR1 caused II-III loop FRET to decrease with the C terminus and increase with the N terminus and caused I-II loop FRET to increase with both the II-III loop and N terminus. Overall, RyR1 appears to cause a substantial reorientation of the cytoplasmic α(1S) domains consistent with their becoming more closely packed.

  6. Stepwise hydration of ionized aromatics. Energies, structures of the hydrated benzene cation, and the mechanism of deprotonation reactions.

    PubMed

    Ibrahim, Yehia M; Meot-Ner Mautner, Michael; Alshraeh, Edreese H; El-Shall, M Samy; Scheiner, Steve

    2005-05-18

    The stepwise binding energies (DeltaHdegree(n-1,n)) of 1-8 water molecules to benzene(.+) [Bz(.+)(H2O)n] were determined by equilibrium measurements using an ion mobility cell. The stepwise hydration energies, DeltaHdegree(n-1,n), are nearly constant at 8.5 +/- 1 kcal mol-1 from n = 1-6. Calculations show that in the n = 1-4 clusters, the benzene(.+) ion retains over 90% of the charge, and it is extremely solvated, that is, hydrogen bonded to an (H2O)n cluster. The binding energies and entropies are larger in the n = 7 and 8 clusters, suggesting cyclic or cage-like water structures. The concentration of the n = 3 cluster is always small, suggesting that deprotonation depletes this ion, consistent with the thermochemistry since associative deprotonation Bz(.+)(H2O)(n-1) + H2O-->C6H5. + (H2O)nH+ is thermoneutral or exothermic for n > or = 4. Associative intracluster proton transfer Bz(.+)(H2O)(n+1) + H2O-->C6H5.(H2O)nH+ would also be exothermic for n > or = 4, but lack of H/D exchange with D2O shows that the proton remains on C6H6(.+) in the observed Bz(.+)(H2O)n clusters. This suggests a barrier to intracluster proton transfer, and as a result, the [Bz(.+)(H2O)n]* activated complexes either undergo dissociative proton transfer, resulting in deprotonation and generation of (H2O)nH+, or become stabilized. The rate constant for the deprotonation reaction shows a uniquely large negative temperature coefficient of K = cT(-67+/-4) (or activation energy of -34+/- 1 kcal mol-1), caused by a multibody mechanism in which five or more components need to be assembled for the reaction.

  7. Advances Toward Inner-Shell Photo-Ionization X-Ray Lasing at 45 (Angstrom)

    SciTech Connect

    Moon, S J; Weber, F A; Celliers, P M; Eder, D C

    2002-07-18

    The inner-shell photo-ionization (ISPI) scheme requires photon energies at least high enough to photo-ionize the K-shell. {approx}286 eV, in the case of carbon. As a consequence of the higher cross-section, the inner-shell are selectively knocked out, leaving a hole state 1s2s{sup 2}2p{sup 2} in the singly charged carbon ion. This generates a population inversion to the radiatively connected state 1s{sup 2}2s{sup 2}2p in C+, leading to gain on the 1s-2p transition at 45 {angstrom}. The resonant character of the lasing transition in the single ionization state intrinsically allows much higher quantum efficiency compared to other schemes. Competing processes that deplete the population inversion include auto-ionization, Auger decay, and in particular collisional ionization of the outer-shell electrons by electrons generated during photo-ionization. These competing processes rapidly quench the gain. Consequently, the pump method must be capable of populating the inversion at a rate faster than the competing processes. This can be achieved by an ultra-fast, high intensity laser that is able to generate an ultra-fast, bright x-ray source. With current advances in the development of high-power, ultra-short pulse lasers it is possible to realize fast x-ray sources based that can deliver powerful pulses of light in the multiple hundred terawatt regime and beyond. They will discuss in greater detail concept, target design and a series of x-ray spectroscopy investigations they have conducted in order to optimize the absorber/x-ray converter--filter package.

  8. Monte Carlo simulation of the nuclear-electromagnetic cascade development and the energy response of ionization spectrometers

    NASA Technical Reports Server (NTRS)

    Jones, W. V.

    1973-01-01

    Modifications to the basic computer program for performing the simulations are reported. The major changes include: (1) extension of the calculations to include the development of cascades initiated by heavy nuclei, (2) improved treatment of the nuclear disintegrations which occur during the interactions of hadrons in heavy absorbers, (3) incorporation of accurate multi-pion final-state cross sections for various interactions at accelerator energies, (4) restructuring of the program logic so that calculations can be made for sandwich-type detectors, and (5) logic modifications related to execution of the program.

  9. Laser-induced dissociative ionization of H2 from the near-infrared to the mid-infrared regime

    NASA Astrophysics Data System (ADS)

    Jing, Qingli; Madsen, Lars Bojer

    2016-12-01

    We apply the Monte Carlo wave packet (MCWP) approach to investigate the kinetic energy release (KER) spectra of the protons following double ionization in H2 when interacting with laser pulses with central wavelengths ranging from the near-infrared (IR) (800 nm) to the mid-IR (6400 nm) regions and with durations of 3-21 laser cycles. We uncover the physical origins of the peaks in the nuclear KER spectra and ascribe them to mechanisms such as ionization following a resonant dipole transition, charge-resonance-enhanced ionization, and ionization in the dissociative limit of large internuclear distances. For relatively large pulse durations, i.e., for 15 or more laser cycles at 3200 nm and 10 or more at 6400 nm, it is possible for the nuclear wave packet in H2+ to reach very large separations. Ionization of this part of the wave packet results in peaks in the KER spectra with very low energies. These peaks give direct information about the dissociative energy in the 2 p σu potential energy curve of H2+ at the one- and three-photon resonances between the 2 p σu and 1 s σg curves in H2+ . With the MCWP approach, we perform a trajectory analysis of the contributions to the KER peaks and identify the dominant ionization pathways. Finally, we consider a pump-probe scheme by applying two delayed pulses to track the nuclear dynamics in a time-resolved setting. Low-energy peaks appear for large delays and these are used to obtain the 2 p σu dissociative energy values at the one-photon resonance between the 2 p σu and 1 s σg curves in H2+ for different wavelengths.

  10. Fluorescence spectroscopy of UV-MALDI matrices and implications of ionization mechanisms

    NASA Astrophysics Data System (ADS)

    Lin, Hou-Yu; Hsu, Hsu Chen; Lu, I.-Chung; Hsu, Kuo-Tung; Liao, Chih-Yu; Lee, Yin-Yu; Tseng, Chien-Ming; Lee, Yuan-Tseh; Ni, Chi-Kung

    2014-10-01

    Matrix-assisted laser desorption ionization (MALDI) has been widely used in the mass analysis of biomolecules; however, there are a lot of debates about the ionization mechanisms. Previous studies have indicated that S1-S1 annihilation might be a key process in the generation of primary ions. This study investigates S1-S1 annihilation by examining the time-resolved fluorescence spectra of 12 matrices. No S1-S1 annihilation was observed in six of these matrices (3-hydroxy-picolinic acid, 6-aza-2-thiothymine, 2,4-dihydroxy-acetophenone, 2,6-dihydroxy-acetophenone, 2,4,6-trihydroxy-acetophenone, and ferulic acid). We observed two matrix molecules reacting in an electronically excited state (S1) in five of these matrices (2,5-dihydroxybenzoic acid, α-cyano-4-hydroxycinnamic acid, 2,5-dihydroxy-acetophenone, 2,3-dihydroxybenzoic acid, and 2,6-dihydroxybenzoic acid), and S1-S1 annihilation was a possible reaction. Among these five matrices, no S1-S1 annihilation was observed for 2,3-dihydroxybenzoic acid in typical peak power region of nanosecond laser pulses in MALDI, but a very small value of reaction rate constant was observed only in the high peak power region. The excited-state lifetime of sinapinic acid was too short to determine whether the molecules reacted in an electronically excited state. No correlation was observed between the ion generation efficiency of MALDI and S1-S1 annihilation. The results indicate that the proposal of S1-S1 annihilation is unnecessary in MALDI and energy pooling model for MALDI ionization mechanism has to be modified.

  11. The effect of a compression paddle on energy response, calibration and measurement with mammographic dosimeters using ionization chambers and solid-state detectors.

    PubMed

    Hourdakis, C J; Boziari, A; Koumbouli, E

    2009-02-21

    A compression paddle is always used in mammography x-ray examinations, in order to improve image quality and reduce patient doses. Although clinical dose measurements should be performed with the paddle to interfere with the x-ray beam, calibration of mammography dosimeters is performed free in air without the presence of the paddle. The paddle hardens the x-ray beam, which has an impact on a dosimeter performance, particularly on high-energy-dependent detectors. Due to the paddle, clinical mammography x-ray systems may exhibit beams with HVL values exceeding those of the IEC 61267 RQR-M series qualities at which dosimeters are usually calibrated. In this study, the influence of the paddle in mammography dosimetry is examined, in Mo/Mo anode/filter x-ray qualities. PMMA slabs of 1, 2 and 3 mm thickness and Al foils of 0.05, 0.10 and 0.15 mm thicknesses were used to simulate the paddles, producing beams with HVL values from 0.28 up to 0.43 mmAl. In these qualities, four solid-state (ST) detectors and three ionizations chambers (IC) were calibrated in terms of Kair and N(K) and k(Q) were deduced. The results showed that all IC and two modern-type ST dosimeters have a flat energy response in the above HVL range (less than 3%), so their calibration factor at RQR-M2 quality could be safely used for clinical measurements. Two other ST dosimeters exhibit up to 20% energy response, so differences up to 15% in dose measurement may be observed if the effect of paddle on their performance is ignored. Finally, the need of additional mammographic calibration qualities to the existing IEC 61267 RQR-M series is examined and discussed.

  12. Correlation of hydrogen-atom abstraction reaction efficiencies for aryl radicals with their vertical electron affinities and the vertical ionization energies of the hydrogen-atom donors.

    PubMed

    Jing, Linhong; Nash, John J; Kenttämaa, Hilkka I

    2008-12-31

    The factors that control the reactivities of aryl radicals toward hydrogen-atom donors were studied by using a dual-cell Fourier-transform ion cyclotron resonance mass spectrometer. Hydrogen-atom abstraction reaction efficiencies for two substrates, cyclohexane and isopropyl alcohol, were measured for 23 structurally different, positively charged aryl radicals, which included dehydrobenzenes, dehydronaphthalenes, dehydropyridines, and dehydro(iso)quinolines. A logarithmic correlation was found between the hydrogen-atom abstraction reaction efficiencies and the (calculated) vertical electron affinities (EA) of the aryl radicals. Transition state energies calculated for the reaction of three of the aryl radicals with isopropyl alcohol were found to correlate linearly with their (calculated) EAs. No correlation was found between the hydrogen-atom abstraction reaction efficiencies and the (calculated) enthalpy changes for the reactions. Measurement of the reaction efficiencies for the reactions of 15 different hydrogen-atom donors with two selected aryl radicals revealed a logarithmic correlation between the hydrogen-atom abstraction reaction efficiencies and the vertical ionization energies (IE) of the hydrogen-atom donors, but not the lowest homolytic X-H (X = heavy atom) bond dissociation energies of the hydrogen-atom donors. Examination of the hydrogen-atom abstraction reactions of 29 different aryl radicals and 18 different hydrogen-atom donors showed that the reaction efficiency increases (logarithmically) as the difference between the IE of the hydrogen-atom donor and the EA of the aryl radical decreases. This dependence is likely to result from the increasing polarization, and concomitant stabilization, of the transition state. Thus, the hydrogen-atom abstraction reaction efficiency for an aryl radical can be "tuned" by structural changes that influence either the vertical EA of the aryl radical or the vertical IE of the hydrogen atom donor.

  13. Single ionization of molecular iodine

    NASA Astrophysics Data System (ADS)

    Smith, Dale L.; Tagliamonti, Vincent; Dragan, James; Gibson, George N.

    2017-01-01

    We performed a study of the single ionization of iodine, I2 over a range of wavelengths. Single ionization of I2 is unexpectedly found to have a contribution from inner molecular orbitals involving the 5 s electrons. The I+I+ dissociation channel was recorded through velocity map imaging, and the kinetic-energy release of each channel was determined with two-dimensional fitting of the images. Most of the measured kinetic-energy data were inconsistent with ionization to the X , A , and B states of I2 + , implying ionization from deeper orbitals. A pump-probe Fourier transform technique was used to look for modulation at the X - and A -state vibrational frequencies to see if they were intermediate states in a two-step process. X - and A -state modulation was seen only for kinetic-energy releases below 0.2 eV, consistent with dissociation through the B state. From these results and intensity-, polarization-, and wavelength-dependent experiments we found no evidence of bond softening, electron rescattering, or photon mediation through the X or A states to higher-energy single-ionization channels.

  14. Biomolecular Damage Induced by Ionizing Radiation: The Direct and Indirect Effects of Low-Energy Electrons on DNA

    NASA Astrophysics Data System (ADS)

    Alizadeh, Elahe; Orlando, Thomas M.; Sanche, Léon

    2015-04-01

    Many experimental and theoretical advances have recently allowed the study of direct and indirect effects of low-energy electrons (LEEs) on DNA damage. In an effort to explain how LEEs damage the human genome, researchers have focused efforts on LEE interactions with bacterial plasmids, DNA bases, sugar analogs, phosphate groups, and longer DNA moieties. Here, we summarize the current understanding of the fundamental mechanisms involved in LEE-induced damage of DNA and complex biomolecule films. Results obtained by several laboratories on films prepared and analyzed by different methods and irradiated with different electron-beam current densities and fluencies are presented. Despite varied conditions (e.g., film thicknesses and morphologies, intrinsic water content, substrate interactions, and extrinsic atmospheric compositions), comparisons show a striking resemblance in the types of damage produced and their yield functions. The potential of controlling this damage using molecular and nanoparticle targets with high LEE yields in targeted radiation-based cancer therapies is also discussed.

  15. Biomolecular damage induced by ionizing radiation: the direct and indirect effects of low-energy electrons on DNA.

    PubMed

    Alizadeh, Elahe; Orlando, Thomas M; Sanche, Léon

    2015-04-01

    Many experimental and theoretical advances have recently allowed the study of direct and indirect effects of low-energy electrons (LEEs) on DNA damage. In an effort to explain how LEEs damage the human genome, researchers have focused efforts on LEE interactions with bacterial plasmids, DNA bases, sugar analogs, phosphate groups, and longer DNA moieties. Here, we summarize the current understanding of the fundamental mechanisms involved in LEE-induced damage of DNA and complex biomolecule films. Results obtained by several laboratories on films prepared and analyzed by different methods and irradiated with different electron-beam current densities and fluencies are presented. Despite varied conditions (e.g., film thicknesses and morphologies, intrinsic water content, substrate interactions, and extrinsic atmospheric compositions), comparisons show a striking resemblance in the types of damage produced and their yield functions. The potential of controlling this damage using molecular and nanoparticle targets with high LEE yields in targeted radiation-based cancer therapies is also discussed.

  16. Electron ionization of H2O

    NASA Astrophysics Data System (ADS)

    King, Simon J.; Price, Stephen D.

    2008-11-01

    Relative partial ionization cross-sections and precursor-specific relative partial ionization cross-sections for fragment ions formed by electron ionization of H2O have been measured using time-of-flight mass spectrometry coupled with a 2D ion coincidence technique. We report data for the formation of H+, H2+, O2+, O+ and OH+ relative to the formation of H2O+, as a function of ionizing electron energy from 30 to 200 eV. This data includes, for the first time, measurements on the formation all positive ion pairs and ion triples by dissociative multiple electron ionization of H2O. Through determinations of the kinetic energy release involved in ion pair formation we provide further evidence that indirect processes contribute significantly to the yield of H+ + OH+ ion pairs below the vertical double ionization threshold.

  17. Field ionization of high-Rydberg fragments produced after inner-shell photoexcitation and photoionization of the methane molecule

    SciTech Connect

    Kivimäki, A.; Sankari, A.; Kettunen, J. A.; Stråhlman, C.; Álvarez Ruiz, J.; Richter, R.

    2015-09-21

    We have studied the production of neutral high-Rydberg (HR) fragments from the CH{sub 4} molecule at the C 1s → 3p excitation and at the C 1s ionization threshold. Neutral fragments in HR states were ionized using a pulsed electric field and the resulting ions were mass-analyzed using an ion time-of-flight spectrometer. The atomic fragments C(HR) and H(HR) dominated the spectra, but molecular fragments CH{sub x}(HR), x = 1-3, and H{sub 2}(HR) were also observed. The production of HR fragments is attributed to dissociation of CH{sub 4}{sup +} and CH{sub 4}{sup 2+} ions in HR states. Just above the C 1s ionization threshold, such molecular ionic states are created when the C 1s photoelectron is recaptured after single or double Auger decay. Similar HR states may be reached directly following resonant Auger decay at the C 1s → 3p resonance. The energies and geometries of the parent and fragment ions have been calculated in order to gain insight into relevant dissociation pathways.

  18. Field ionization of high-Rydberg fragments produced after inner-shell photoexcitation and photoionization of the methane molecule

    NASA Astrophysics Data System (ADS)

    Kivimäki, A.; Sankari, A.; Kettunen, J. A.; Strâhlman, C.; Álvarez Ruiz, J.; Richter, R.

    2015-09-01

    We have studied the production of neutral high-Rydberg (HR) fragments from the CH4 molecule at the C 1s → 3p excitation and at the C 1s ionization threshold. Neutral fragments in HR states were ionized using a pulsed electric field and the resulting ions were mass-analyzed using an ion time-of-flight spectrometer. The atomic fragments C(HR) and H(HR) dominated the spectra, but molecular fragments CHx(HR), x = 1-3, and H2(HR) were also observed. The production of HR fragments is attributed to dissociation of CH4+ and CH42+ ions in HR states. Just above the C 1s ionization threshold, such molecular ionic states are created when the C 1s photoelectron is recaptured after single or double Auger decay. Similar HR states may be reached directly following resonant Auger decay at the C 1s → 3p resonance. The energies and geometries of the parent and fragment ions have been calculated in order to gain insight into relevant dissociation pathways.

  19. Field ionization of high-Rydberg fragments produced after inner-shell photoexcitation and photoionization of the methane molecule.

    PubMed

    Kivimäki, A; Sankari, A; Kettunen, J A; Stråhlman, C; Álvarez Ruiz, J; Richter, R

    2015-09-21

    We have studied the production of neutral high-Rydberg (HR) fragments from the CH4 molecule at the C 1s → 3p excitation and at the C 1s ionization threshold. Neutral fragments in HR states were ionized using a pulsed electric field and the resulting ions were mass-analyzed using an ion time-of-flight spectrometer. The atomic fragments C(HR) and H(HR) dominated the spectra, but molecular fragments CH(x)(HR), x = 1-3, and H2(HR) were also observed. The production of HR fragments is attributed to dissociation of CH4(+) and CH4(2+) ions in HR states. Just above the C 1s ionization threshold, such molecular ionic states are created when the C 1s photoelectron is recaptured after single or double Auger decay. Similar HR states may be reached directly following resonant Auger decay at the C 1s → 3p resonance. The energies and geometries of the parent and fragment ions have been calculated in order to gain insight into relevant dissociation pathways.

  20. Correction factors for the NMi free-air ionization chamber for medium-energy x-rays calculated with the Monte Carlo method.

    PubMed

    Grimbergen, T W; van Dijk, E; de Vries, W

    1998-11-01

    A new method is described for the determination of x-ray quality dependent correction factors for free-air ionization chambers. The method is based on weighting correction factors for mono-energetic photons, which are calculated using the Monte Carlo method, with measured air kerma spectra. With this method, correction factors for electron loss, scatter inside the chamber and transmission through the diaphragm and front wall have been calculated for the NMi free-air chamber for medium-energy x-rays for a wide range of x-ray qualities in use at NMi. The newly obtained correction factors were compared with the values in use at present, which are based on interpolation of experimental data for a specific set of x-ray qualities. For x-ray qualities which are similar to this specific set, the agreement between the correction factors determined with the new method and those based on the experimental data is better than 0.1%, except for heavily filtered x-rays generated at 250 kV. For x-ray qualities dissimilar to the specific set, differences up to 0.4% exist, which can be explained by uncertainties in the interpolation procedure of the experimental data. Since the new method does not depend on experimental data for a specific set of x-ray qualities, the new method allows for a more flexible use of the free-air chamber as a primary standard for air kerma for any x-ray quality in the medium-energy x-ray range.

  1. Molecular-orbital decomposition of the ionization continuum for a diatomic molecule by angle- and energy-resolved photoelectron spectroscopy. I. Formalism

    NASA Astrophysics Data System (ADS)

    Park, Hongkun; Zare, Richard N.

    1996-03-01

    A theoretical formalism is developed for the quantum-state-specific photoelectron angular distributions (PADs) from the direct photoionization of a diatomic molecule in which both the ionizing state and the state of the ion follow Hund's case (b) coupling. The formalism is based on the molecular-orbital decomposition of the ionization continuum and therefore fully incorporates the molecular nature of the photoelectron-ion scattering within the independent electron approximation. The resulting expression for the quantum-state-specific PADs is dependent on two distinct types of dynamical quantities, one that pertains only to the ionization continuum and the other that depends both on the ionizing state and the ionization continuum. Specifically, the electronic dipole-moment matrix element rlλ exp(iηlλ) for the ejection of a photoelectron with orbital angular momentum quantum number l making a projection λ on the internuclear axis is expressed as ΣαλŪlαλλ exp (iπτ¯αλλ) Mαλλ, where Ūλ is the electronic transformation matrix, τ¯αλλ is the scattering phase shift associated with the αλth continuum molecular orbital, and Mαλλ is the real electronic dipole-moment matrix element that connects the ionizing orbital to the αλth continuum molecular orbital. Because Ūλ and τ¯αλλ depend only on the dynamics in the ionization continuum, this formalism allows maximal exploitation of the commonality between photoionization processes from different ionizing states. It also makes possible the direct experimental investigation of scattering matrices for the photoelectron-ion scattering and thus the dynamics in the ionization continuum by studying the quantum-state-specific PADs, as illustrated in the companion article on the photoionization of NO.

  2. Electronic states, ionization potentials, and bond energies of TlHn, InHn, TlH + n, and InH + n (n=1-3)

    NASA Astrophysics Data System (ADS)

    Balasubramanian, K.; Tao, J. X.

    1991-02-01

    Potential energy surfaces of 6 electronic states of TlH2 and InH2 and 8 electronic states of TlH+2 and InH+2 are computed. In addition the ground states of TlH3, InH3, TlH+3, InH+3, TlH, and TlH+ are investigated. A complete active space multiconfiguration self-consistent field (CAS-MCSCF) followed by second-order configuration interaction (SOCI) and relativistic configuration interaction (RCI) including spin-orbit coupling calculations are carried out. The step-wise bond energies, De(Hn-1M-H) and adiabatic ionization potentials are computed. The ground states of TlH2 and InH2 are found to be bent (2A1; θe˜121.5 °, 120 °) while the ground states of TlH+2 and InH+2 are linear (1Σ+g). The ground states of TlH3 and InH3 are found to be 1A1 (D3h ) states while the ground states of TlH+3 and InH+3 are Jahn-Teller distorted 2B2(C2v ) states. The unique bond length of TlH+3 and InH+3 is shorter than the two equal bond lengths. The bond angles (H-M-H) for TlH+3 and InH+3 deviate considerably from the neutral θe=120 ° to near 69 °. The TlH+ ion is found to be only 0.04 eV stable. Periodic trends in the geometries, bond energies and IPs are studied. Spin-orbit effects were found to be significant for TlHn species. The IPs of InHn and TlHn exhibit odd-even alternation. The bond energies also show an interesting trend as a function of n.

  3. Carbon dioxide ion dissociations after inner shell excitation and ionization: The origin of site-specific effects

    SciTech Connect

    Eland, J. H. D.; Zagorodskikh, S.; Mucke, M.; Squibb, R. J.; Feifel, R.; Sorensen, S. L.

    2014-05-14

    Multi-coincidence experiments with detection of both electrons and ions from decay of core-excited and core-ionized states of CO{sub 2} confirm that O{sub 2}{sup +} is formed specifically in Auger decay from the C1s-π* and O1s-π* resonances. Molecular rearrangement occurs by bending in the resonant states, and O{sub 2}{sup +} is produced by both single and double Auger decay. It is suggested that electron capture by C{sup +} after partial dissociation in the doubly ionized core of excited CO{sub 2}{sup +}, formed by shake-up in spectator resonant Auger decay, accounts for high kinetic energy and high internal energy in some C + O{sub 2}{sup +} fragments.

  4. Penning ionization electron spectroscopy of hydrogen sulfide by metastable helium and neon atoms.

    PubMed

    Falcinelli, Stefano; Candori, Pietro; Bettoni, Marta; Pirani, Fernando; Vecchiocattivi, Franco

    2014-08-21

    The dynamics of the Penning ionization of hydrogen sulfide molecules by collision with helium and metastable neon atoms, occurring in the thermal energy range, has been studied by analyzing the energy spectra of the emitted electrons obtained in our laboratory in a crossed beam experiment. These spectra are compared with the photoelectron spectra measured by using He(I) and Ne(I) photons under the same experimental conditions. In this way we obtained the negative energy shifts for the formation of H2S(+) ions in the first three accessible electronic states by He*(2(3,1)S1,0) and Ne*((3)P2,0) Penning ionization collisions: the 2b1 (X̃(2)B1) fundamental one, the first 5a1 (Ã(2)A1), and the second 2b2 (B̃(2)B2) excited states, respectively. The recorded energy shifts indicate that in the case of He* and Ne*-H2S the autoionization dynamics depends on the features of the collision complex and is mainly driven by an effective global attraction that comes from a balance among several non covalent intermolecular interaction components. This suggests that the Penning ionization should take place, in a specific range of intermolecular distances, as we have already observed in the case of Penning ionization of water molecules [Brunetti, B. G.; Candori, P.; Falcinelli, S.; Pirani, F.; Vecchiocattivi, F. J. Chem. Phys. 2013, 139, 164305-1-164305-8].

  5. Method for estimating ionicities of oxides using O1s photoelectron spectra

    SciTech Connect

    Wu, L. Q.; Li, Z. Z.; Tang, G. D. Qi, W. H.; Xue, L. C.; Ge, X. S.; Ding, L. L.; Li, Y. C.; Li, S. Q.

    2015-09-15

    The average valence, V{sub alO}, of the oxygen anions in the perovskite oxide BaTiO{sub 3}, was found using O1s photoelectron spectra to be −1.55. This experimental result is close to the theoretical value for BaTiO{sub 3} (−1.63) calculated by Cohen [Nature 358, 136 (1992)] using density functional theory. Using the same approach, we obtained values of V{sub alO} for several monoxides, and investigated the dependence of V{sub alO} and the ionicity on the second ionization energy, V(M{sup 2+}), of the metal cation. We found that the dependence of the ionicity on V(M{sup 2+}) in this work is close to that reported by Phillips [Rev. Mod. Phys. 42, 317 (1970)]. We therefore suggest that O1s photoelectron spectrum measurements should be accepted as a general experimental method for estimating the ionicity and average valence of oxygen anions.

  6. Ionization Potentials for Isoelectronic Series.

    ERIC Educational Resources Information Center

    Agmon, Noam

    1988-01-01

    Presents a quantitative treatment of ionization potentials of isoelectronic atoms. By looking at the single-electron view of calculating the total energy of an atom, trends in the screening and effective quantum number parameters are examined. Approaches the question of determining electron affinities. (CW)

  7. Hard X-Ray Emission and the Ionizing Source in LINERs

    NASA Technical Reports Server (NTRS)

    Terashima, Yuichi; Ho, Luis C.; Ptak, Andrew F.

    2000-01-01

    We report X-ray fluxes in the 2-10 keV band from LINERs (low-ionization nuclear emission-line regions) and low-luminosity Seyfert galaxies obtained with the ASCA satellite. Observed X-ray luminosities are in the range between 4 x 10(exp 39) and 5 x 10(exp 41) ergs/s, which are significantly smaller than that of the "classical" low-luminosity Seyfert 1 galaxy NGC 4051. We found that X-ray luminosities in 2-10 keV of LINERs with broad H.alpha emission in their optical spectra (LINER 1s) are proportional to their Ha luminosities. This correlation strongly supports the hypothesis that the dominant ionizing source in LINER 1s is photoionization by hard photons from low-luminosity AGNs. On the other hand, the X-ray luminosities of most LINERs without broad H.alpha emission (LINER 2s) in our sample are lower than LINER 1s at a given H.alpha luminosity. The observed X-ray luminosities in these objects are insufficient to power their H.alpha luminosities, suggesting that their primary ionizing source is other than an AGN, or that an AGN, if present, is obscured even at energies above 2 keV.

  8. Ionized cluster beam deposition

    NASA Technical Reports Server (NTRS)

    Kirkpatrick, A. R.

    1983-01-01

    Ionized Cluster Beam (ICB) deposition, a new technique originated by Takagi of Kyoto University in Japan, offers a number of unique capabilities for thin film metallization as well as for deposition of active semiconductor materials. ICB allows average energy per deposited atom to be controlled and involves impact kinetics which result in high diffusion energies of atoms on the growth surface. To a greater degree than in other techniques, ICB involves quantitative process parameters which can be utilized to strongly control the characteristics of films being deposited. In the ICB deposition process, material to be deposited is vaporized into a vacuum chamber from a confinement crucible at high temperature. Crucible nozzle configuration and operating temperature are such that emerging vapor undergoes supercondensation following adiabatic expansion through the nozzle.

  9. Oxidation of atomic gold ions: thermochemistry for the activation of O(2) and N(2)O BY Au(+) ((1)S(0) and (3)D).

    PubMed

    Li, Feng-Xia; Gorham, Katrine; Armentrout, P B

    2010-10-28

    Reaction of Au(+) ((1)S(0) and (3)D) with O(2) and N(2)O is studied as a function of kinetic energy using guided ion beam tandem mass spectrometry. A flow tube ion source produces Au(+) primarily in its (1)S(0) (5d(10)) electronic ground state level but with some (3)D and perhaps higher lying excited states. The distribution of states can be altered by adding N(2)O, which completely quenches the excited states, or CH(4) to the flow gases. Cross sections as a function of kinetic energy are measured for both neutral reagents and both ground and excited states of Au(+). Formation of AuO(+) is common to both systems with the N(2)O system also exhibiting AuN(2)(+) and AuNO(+) formation. All reactions of Au(+) ((1)S(0)) are observed to be endothermic, whereas the excitation energy available to the (3)D state allows some reactions to be exothermic. Because of the closed shell character of ground state Au(+) ((1)S(0), 5d(10)), the reactivity of these systems is low and has cross sections with onsets and peaks at higher energies than expected from the known thermochemistry but lower than energies expected from impulsive processes. Analyses of the endothermic reaction cross sections yield the 0 K bond dissociation energy (BDE) in eV of D(0)(Au(+)-O) = 1.12 ± 0.08, D(0)(Au(+)-N(2)) ≥ 0.30 ± 0.04, and D(0)(Au(+)-NO) = 0.89 ± 0.17, values that are all speculative because of the unusual experimental behavior. Combining the AuO(+) BDE measured here with literature data also yields the ionization energy of AuO as 10.38 ± 0.23 eV. Quantum chemical calculations show reasonable agreement with the experimental bond energies and provide the electronic structures of these species.

  10. Astatine and Yttrium Resonant Ionization Laser Spectroscopy

    NASA Astrophysics Data System (ADS)

    Teigelhoefer, Andrea

    Providing intense, contamination-free beams of rare isotopes to experiments is a challenging task. At isotope separator on-line facilities such as ISAC at TRIUMF, the choice of production target and ion source are key to the successful beam delivery. Due to their element-selectivity, high efficiency and versatility, resonant ionization laser ion sources (RILIS) gain increasingly in importance. The spectroscopic data available are typically incomplete in the region of excited- and autoionizing atomic states. In order to find the most efficient ionization scheme for a particular element, further spectroscopy is often required. The development of efficient laser resonant ionization schemes for yttrium and astatine is presented in this thesis. For yttrium, two ionization schemes with comparable relative intensities were found. Since for astatine, only two transitions were known, the focus was to provide data on atomic energy levels using resonance ionization spectroscopy. Altogether 41 previously unknown astatine energy levels were found.

  11. QED based on self-energy: The relativistic 2 S sub 1/2 r arrow 1 S sub 1/2 +1. gamma. decay rates of hydrogenlike atoms

    SciTech Connect

    Barut, A.O.; Salamin, Y.I. )

    1991-03-01

    Within the framework of the recently advanced formulation of QED based on self-energy, we calculate the relativistic rates of the 2{ital S}{sub 1/2}{r arrow}1{ital S}{sub 1/2}+1{gamma} transition in the hydrogen isoelectronic sequence for values of {ital Z} ranging between 1 and 92. We compare our results with those of Johnson (Phys. Rev. Lett. 29, 1123 (1972)) and Parpia and Johnson (Phys. Rev. A 26, 1142 (1982)), analytically and numerically. Although the two approaches are quite different, the formulas for decay rates are shown to be equivalent.

  12. Roles of the major, small, acid-soluble spore proteins and spore-specific and universal DNA repair mechanisms in resistance of Bacillus subtilis spores to ionizing radiation from X rays and high-energy charged-particle bombardment.

    PubMed

    Moeller, Ralf; Setlow, Peter; Horneck, Gerda; Berger, Thomas; Reitz, Günther; Rettberg, Petra; Doherty, Aidan J; Okayasu, Ryuichi; Nicholson, Wayne L

    2008-02-01

    The role of DNA repair by nonhomologous end joining (NHEJ), homologous recombination, spore photoproduct lyase, and DNA polymerase I and genome protection via alpha/beta-type small, acid-soluble spore proteins (SASP) in Bacillus subtilis spore resistance to accelerated heavy ions (high-energy charged [HZE] particles) and X rays has been studied. Spores deficient in NHEJ and alpha/beta-type SASP were significantly more sensitive to HZE particle bombardment and X-ray irradiation than were the recA, polA, and splB mutant and wild-type spores, indicating that NHEJ provides an efficient DNA double-strand break repair pathway during spore germination and that the loss of the alpha/beta-type SASP leads to a significant radiosensitivity to ionizing radiation, suggesting the essential function of these spore proteins as protectants of spore DNA against ionizing radiation.

  13. Bis[(1S)-1 4-azanediyl-1-(9-deazaadenin-9-yl)-1 4-dideoxy-5-methylsulfanyl-D-ribitol] tetrakis(hydrochloride) monohydrate: structure DFT energy and ligand docking results of a potent methylthioadenosine phosphorylase inhibitor found in different

    SciTech Connect

    G Gainsford; G Evans; K Johnston; M Seth

    2011-12-31

    The title compound, abbreviated as 5'ThiomethylImmA, is a potent inhibitor of methylthioadenosine phosphorylase [Singh et al. (2004). Biochemistry, 43, 9-18]. The synchrotron study reported here shows that the hydrochloride salt crystallizes with two independent, nearly superimposable, dications as a monohydrate with formula 2C{sub 12}H{sub 19}N{sub 5}O{sub 2}S{sup 2+}{center_dot}4Cl{sup -}{center_dot}H{sub 2}O. Hydrogen bonding utilizing the H atoms of the dication is found to favor certain molecular conformations in the salt, which are significantly different from those found as bound in the enzyme. Ligand docking studies starting from either of these dications or related neutral structures successfully place the conformationally revised structures in the enzyme active site but only under particular hydrogen-bonding and molecular flexibility criteria. Density functional theory calculations verify the energy similarity of the indendent cations and confirm the significant energy cost of the required conformation change to the enzyme bound form. The results suggest the using crystallographically determined free ligand coordinates as starting parameters for modelling may have serious limitations.

  14. Ionization potentials of seaborgium

    SciTech Connect

    Johnson, E.; Pershina, V.; Fricke, B.

    1999-10-21

    Multiconfiguration relativistic Dirac-Fock values were calculated for the first six ionization potentials of seaborgium and of the other group 6 elements. No experimental ionization potentials are available for seaborgium. Accurate experimental values are not available for all of the other ionization potentials. Ionic radii for the 4+ through 6+ ions of seaborgium are also presented. The ionization potentials and ionic radii obtained will be used to predict some physiochemical properties of seaborgium and its compounds.

  15. Multiple ionization of argon by helium ions

    NASA Astrophysics Data System (ADS)

    Montanari, C. C.; Miraglia, J. E.

    2016-09-01

    We apply the continuum distorted-wave eikonal initial state and the independent electron model to describe the multiple ionization of Ar by He2+ and He+ in the energy range 0.1-10 Mev amu-1. Auger-like post collisional processes are included, which enhance the high energy multiple ionization cross sections via ionization of the inner shells. All Ar electrons (K, L and M-shells) have been included in these calculations. The results agree well with the experimental data at high energies, where the post-collisional ionization is the main contribution. At intermediate impact energies the description is also good though it tends to overestimate the triple and quadruple ionization data at intermediate energies. We analyze this by comparing the present results for He+2 in Ar, with previous ones for He+2 in Ne and Kr. It was found that the theoretical description improves from Ne to Ar and Kr, with the latter being nicely described even at intermediate energies. The present formalism is also tested for Ar inner shell and total ionization cross sections. In all the cases the results above 0.1 MeV amu-1 are quite reasonable, as compared with the experimental data available and with the ECPSSR values.

  16. Evidence for the eta_b(1S) in the Decay Upsilon(2S)-> gamma eta_b(1S)

    SciTech Connect

    Aubert, B.; Bona, M.; Karyotakis, Y.; Lees, J.P.; Poireau, V.; Prencipe, E.; Prudent, X.; Tisserand, V.; Garra Tico, J.; Grauges, E.; Lopez, L.; Palano, A.; Pappagallo, M.; Eigen, G.; Stugu, B.; Sun, L.; Battaglia, M.; Brown, D.N.; Kerth, L.T.; Kolomensky, Yu.G.; Lynch, G.; /LBL, Berkeley /UC, Berkeley /Birmingham U. /Ruhr U., Bochum /British Columbia U. /Brunel U. /Novosibirsk, IYF /UC, Irvine /UCLA /UC, Riverside /UC, San Diego /UC, Santa Barbara /UC, Santa Cruz /Caltech /Cincinnati U. /Colorado U. /Colorado State U. /Dortmund U. /Dresden, Tech. U. /Ecole Polytechnique /Edinburgh U. /INFN, Ferrara /Ferrara U. /INFN, Ferrara /INFN, Ferrara /Ferrara U. /INFN, Ferrara /INFN, Ferrara /Ferrara U. /Frascati /INFN, Genoa /Genoa U. /INFN, Genoa /INFN, Genoa /Genoa U. /INFN, Genoa /INFN, Genoa /Genoa U. /Harvard U. /Heidelberg U. /Humboldt U., Berlin /Imperial Coll., London /Iowa U. /Iowa State U. /Johns Hopkins U. /Orsay, LAL /LLNL, Livermore /Liverpool U. /Queen Mary, U. of London /Royal Holloway, U. of London /Louisville U. /Karlsruhe U., EKP /Manchester U. /Maryland U. /Massachusetts U., Amherst /MIT, LNS /McGill U. /INFN, Milan /Milan U. /INFN, Milan /INFN, Milan /Milan U. /Mississippi U. /Montreal U. /Mt. Holyoke Coll. /INFN, Naples /Naples U. /INFN, Naples /INFN, Naples /Naples U. /NIKHEF, Amsterdam /Notre Dame U. /Ohio State U. /Oregon U. /INFN, Padua /Padua U. /INFN, Padua /INFN, Padua /Padua U. /Paris U., VI-VII /Pennsylvania U. /INFN, Perugia /Perugia U. /INFN, Pisa /Pisa U. /INFN, Pisa /Pisa, Scuola Normale Superiore /INFN, Pisa /Pisa U. /INFN, Pisa /Princeton U. /INFN, Rome /INFN, Rome /Rome U. /INFN, Rome /INFN, Rome /Rome U. /INFN, Rome /INFN, Rome /Rome U. /INFN, Rome /INFN, Rome /Rome U. /INFN, Rome /Rostock U. /Rutherford /DSM, DAPNIA, Saclay /South Carolina U. /SLAC /Stanford U., Phys. Dept. /SUNY, Albany /Tennessee U. /Texas U. /Texas U., Dallas /INFN, Turin /Turin U. /INFN, Trieste /Trieste U. /Valencia U., IFIC /Victoria U. /Warwick U. /Wisconsin U., Madison

    2009-12-14

    We have performed a search for the {eta}{sub b}(1S) meson in the radiative decay of the {Upsilon}(2S) resonance using a sample of 91.6 million {Upsilon}(2S) events recorded with the BABAR detector at the PEP-II B factory at the SLAC National Accelerator Laboratory. We observe a peak in the photon energy spectrum at E{sub {gamma}} = 610.5{sub -4.3}{sup +4.5}(stat) {+-} 1.8(syst) MeV, corresponding to an {eta}{sub b}(1S) mass of 9392.9{sub -4.8}{sup +4.6}(stat) {+-} 1.9(syst) MeV/c{sup 2}. The branching fraction for the decay {Upsilon}(2S) {yields} {gamma}{eta}{sub b}(1S) is determined to be (4.2{sub -1.0}{sup +1.1}(stat) {+-} 0.9(syst)) x 10{sup -4}. The ratio {Beta}({Upsilon}(2S) {yields} {gamma}{eta}{sub b}(1S))/{Beta}({Upsilon}(3S) {yields} {gamma}{eta}{sub b}(1S)) = 0.89{sub -0.23}{sup +0.25}(stat){sub -0.16}{sup +0.12}(syst) is consistent with the ratio expected for magnetic dipole transitions to the {eta}{sub b}(1S) meson.

  17. Resonant effects in above-threshold ionization

    NASA Astrophysics Data System (ADS)

    Hertlein, Marcus P.

    2000-09-01

    The ionization of noble gases in high intensity laser fields produces an electron spectrum with characteristic peaks corresponding to atomic levels of the atom. While many of the features in the low energy part of the spectrum have been explained qualitatively, current models are incomplete and are not able to account for the recurrence of ionization probability for higher energy electrons. In particular, one of the basic questions arising is the importance of multiple ionization in these spectra. While the light intensities are in the regime where multiple ionization is known to occur, it was not clear whether the higher energy (or plateau) electrons are a result of this, and whether multiple ionization even leaves a signature in the electron spectrum. In this dissertation, we use several experimental techniques to explore this problem in argon. Our results show that although multiple ionization occurs, electrons from this process do not appear in the observed electron spectrum. Furthermore, the appearance intensities of the peaks visible in the plateau region of the electron spectrum and of the resonance peaks in the well- understood low energy part show a strong correlation, suggestion a common origin of production. Accurate computer simulations of the process, using a single- active-electron model, reproduce all essential features of the experimental spectra. Our results support the conclusion that all high energy electrons observed in our experiments can be explained with single-electron effects.

  18. K -shell ionization cross sections for Si, P, K, Ca, Zn, and Ga by protons and carbon ions in the energy range 1--6. 4 MeV

    SciTech Connect

    Geretschlaeger, M. ); Smit, Z. ); Benka, O. )

    1990-01-01

    Absolute {ital K}-shell ionization cross sections have been measured for thin targets of Si, P, S, K, Ca, Zn, and Ga using carbon ions between 1.0 and 6.4 MeV and protons of 1 and 2 MeV. The dependence of x-ray production cross sections on target thickness was determined. The experimental results are compared to the semiclassical approximation (Laegsgaard, Andersen, and Lund in 3 Proceedings of the Tenth International Conference on the Physics of Electron and Atomic Collisions, Paris, 1977, edited by G. Watel (North-Holland, Amsterdam 1977)), to the theory for direct Coulomb ionization of the 1{ital s}{sigma} molecular orbital (Montenegro and Sigaud, J. Phys. B. 18, 299 (1985)), to the perturbed stationary-state approximation with energy-loss, Coulomb, and relativistic corrections (ECPSSR) (Brandt and Lapicki, Phys. Rev. A 23, 1717 (1981)), and to the modification of the ECPSSR approximation (MECPSSR) (Benka, Geretschlaeger, and Paul, J. Phys. (Paris) Suppl. 12, C9-251 (1987)). The results for carbon ions are also compared to the statistical molecular orbital theory of inner-shell ionization for symmetric or nearly symmetric atomic collisions (Mittelman and Wilets, Phys. Rev. 154, 12 (1967)).

  19. Advanced Thin Ionization Calorimeter (ATIC)

    NASA Technical Reports Server (NTRS)

    Wefel, John P.

    1998-01-01

    This is the final report for NASA grant NAGW-4577, "Advanced Thin Ionization Calorimeter (ATIC)". This grant covered a joint project between LSU and the University of Maryland for a Concept Study of a new type of fully active calorimeter to be used to measure the energy spectra of very high energy cosmic rays, particularly Hydrogen and Helium, to beyond 1014 eV. This very high energy region has been studied with emulsion chamber techniques, but never investigated with electronic calorimeters. Technology had advanced to the point that a fully active calorimeter based upon Bismuth Germanate (BGO) scintillating crystals appeared feasible for balloon flight (and eventually space) experiments.

  20. High-level ab initio predictions for the ionization energy, bond dissociation energies, and heats of formation of cobalt carbide (CoC) and its cation (CoC+)

    NASA Astrophysics Data System (ADS)

    Lau, Kai-Chung; Pan, Yi; Lam, Chow-Shing; Huang, Huang; Chang, Yih-Chung; Luo, Zhihong; Shi, Xiaoyu; Ng, C. Y.

    2013-03-01

    The ionization energy (IE) of CoC and the 0 K bond dissociation energies (D0) and the heats of formation at 0 K (ΔH°f0) and 298 K (ΔH°f298) for CoC and CoC+ are predicted by the wavefunction based coupled-cluster theory with single, double, triple and quadruple excitations (CCSDTQ) and complete basis set (CBS) approach. The CCSDTQ/CBS calculations presented here involve the approximation to the CBS limit at the coupled cluster level up to full quadruple excitations along with the zero-point vibrational energy, high-order correlation, core-valence (CV) electronic, spin-orbit coupling, and scalar relativistic effect corrections. The present calculations provide the correct symmetry, 1Σ+, for the ground state of CoC+. The CCSDTQ/CBS IE(CoC) = 7.740 eV is found in good agreement with the experimental IE value of 7.73467 ± 0.00007 eV, determined in a two-color laser photoion and pulsed field ionization-photoelectron study. This work together with the previous experimental and theoretical investigations support the conclusion that the CCSDTQ/CBS method is capable of providing reliable IE predictions for 3d-transition metal carbides, such as FeC, CoC, and NiC. Among the single-reference based coupled-cluster methods and multi-reference configuration interaction (MRCI) approach, the CCSDTQ and MRCI methods give the best predictions to the harmonic frequencies ωe (ωe+) = 956 (992) and 976 (1004) cm-1 and the bond lengths re (re+) = 1.560 (1.528) and 1.550 (1.522) Å, respectively, for CoC (CoC+) in comparison with the experimental values. The CCSDTQ/CBS calculations give the prediction of D0(Co+-C) - D0(Co-C) = 0.175 eV, which is also consistent with the experimental determination of 0.14630 ± 0.00014 eV. The theoretical results show that the CV and valence-valence electronic correlations beyond CCSD(T) wavefunction and the relativistic effect make significant contributions to the calculated thermochemical properties of CoC/CoC+. For the experimental D0 and ΔHof0

  1. Theoretical investigation of the origin of the multipeak structure of kinetic-energy-release spectra from charge-resonance-enhanced ionization of H{sub 2}{sup +} in intense laser fields

    SciTech Connect

    He Haixiang; Guo Yahui; Lu Ruifeng; Zhang Peiyu; Han Keli; He Guozhong

    2011-09-15

    The dynamics of hydrogen molecular ions in intense laser pulses (100 fs, I = 0.77 x 10{sup 14} W/cm{sup 2} to 2.5 x 10{sup 14} W/cm{sup 2}) has been studied, and the kinetic-energy-release spectra of Coulomb explosion channel have been calculated by numerically solving the time-dependent Schroedinger equation. In a recent experiment, a multipeak structure from charge-resonance-enhanced ionization is interpreted by a vibrational 'comb' at a critical nuclear distance. We found that the peaks could not be attributed to a single vibrational level but a collective contribution of some typical vibrational states in our calculated Coulomb explosion spectra, and the main peak shifts toward the low-energy region with increasing vibrational level, which is also different from the explanation in that experiment. We have also discussed the proton's kinetic-energy-release spectra for different durations with the same laser intensity.

  2. The photodouble ionization of the ns shell of rare gases

    NASA Astrophysics Data System (ADS)

    Argenti, L.; Bolognesi, P.; Colle, R.; Feyer, V.; Avaldi, L.

    2009-11-01

    The triple differential cross sections, TDCS, for the photodouble ionization of He, Ne, Ar and Xe leading to the He2+ (1s0 1Se), Ne2+(2s02p6 1Se), Ar2+(3s03p6 1Se)and Xe2+(5s05p6 1Se) states have been measured at about 20 eV above their respective thresholds with the two photoelectrons equally sharing the excess energy. The experimental data are analysed using a novel parametrization recently proposed. A satisfactory representation of the shape of the measured TDCS and their dependence on the increasing correlation with the principal quantum number of the ionised orbital is achieved.

  3. Photo-double-ionization of the ns shell of rare gases

    NASA Astrophysics Data System (ADS)

    Argenti, L.; Bolognesi, P.; Colle, R.; Feyer, V.; Avaldi, L.

    2009-06-01

    The triple differential cross sections (TDCS) for the photodouble ionization of He, Ne, Ar, and Xe leading to the He2+(1s0S1e) , Ne2+(2s02p6S1e) , Ar2+(3s03p6S1e) , and Xe2+(5s05p6S1e) states have been measured at about 20 eV above their respective thresholds with the two photoelectrons equally sharing the excess energy. The experimental data are analyzed using a parametrization recently proposed [J. Phys. B 41, 245205 (2008)] which takes into account experimental uncertainties. The parametrization provides a satisfactory representation of the shape of the measured TDCS. The study of the behavior of the gerade amplitude of the TDCS in the different targets gives hints on the dependence of the electron correlation with the principal quantum number n of the ionized ns orbital.

  4. Multiphoton ionization of the calcium atom by linearly and circularly polarized laser fields

    SciTech Connect

    Buica, Gabriela; Nakajima, Takashi

    2010-04-15

    We theoretically study multiphoton ionization of the Ca atom irradiated by the second (photon energy 3.1 eV) and third (photon energy 4.65 eV) harmonics of Ti:sapphire laser pulses (photon energy 1.55 eV). Because of the dense energy level structure the second and third harmonics of a Ti:sapphire laser are nearly single-photon resonant with the 4s4p {sup 1}P{sup o} and 4s5p {sup 1}P{sup o} states, respectively. Although two-photon ionization takes place through the near-resonant intermediate states with the same symmetry in both cases, it turns out that there are significant differences between them. The photoelectron energy spectra exhibit the absence or presence of substructures. More interestingly, the photoelectron angular distributions clearly show that the main contribution to the ionization processes by the third harmonic arises from the far-off-resonant 4s4p {sup 1}P{sup o} state rather than the near-resonant 4s5p {sup 1}P{sup o} state. These findings can be attributed to the fact that the dipole moment for the 4s{sup 2} {sup 1}S{sup e}-4s5p {sup 1}P{sup o} transition is much smaller than that for the 4s{sup 2} {sup 1}S{sup e}-4s4p {sup 1}P{sup o} transition.

  5. Epicyclic Twin-Helix Ionization Cooling Simulations

    SciTech Connect

    Vasiliy Morozov, Yaroslav Derbenev, A. Afanaciev, R.P. Johnson

    2011-04-01

    Parametric-resonance Ionization Cooling (PIC) is proposed as the final 6D cooling stage of a highluminosity muon collider. For the implementation of PIC, we earlier developed an epicyclic twin-helix channel with correlated behavior of the horizontal and vertical betatron motions and dispersion. We now insert absorber plates with short energy-recovering units located next to them at the appropriate locations in the twin-helix channel. We first demonstrate conventional ionization cooling in such a system with the optics uncorrelated. We then adjust the correlated optics state and induce a parametric resonance to study ionization cooling under the resonant condition.

  6. Ionization of excited xenon atoms by electrons

    NASA Astrophysics Data System (ADS)

    Erwin, Daniel A.; Kunc, Joseph A.

    2004-08-01

    Measured cross sections for electron-impact ionization of excited Xe atoms are not presently available. Therefore, we combine in this work the formalisms of the binary encounter approximation and Sommerfeld’s quantization of atomic orbits and derive from first-principles cross sections for ionization of excited atoms by electrons of low and moderate energies (up to a few hundred eV ). The approach of this work can be used to calculate the cross sections for electron-impact ionization of excited atoms and atomic ions other than xenon.

  7. Analytical instruments, ionization sources, and ionization methods

    DOEpatents

    Atkinson, David A.; Mottishaw, Paul

    2006-04-11

    Methods and apparatus for simultaneous vaporization and ionization of a sample in a spectrometer prior to introducing the sample into the drift tube of the analyzer are disclosed. The apparatus includes a vaporization/ionization source having an electrically conductive conduit configured to receive sample particulate which is conveyed to a discharge end of the conduit. Positioned proximate to the discharge end of the conduit is an electrically conductive reference device. The conduit and the reference device act as electrodes and have an electrical potential maintained between them sufficient to cause a corona effect, which will cause at least partial simultaneous ionization and vaporization of the sample particulate. The electrical potential can be maintained to establish a continuous corona, or can be held slightly below the breakdown potential such that arrival of particulate at the point of proximity of the electrodes disrupts the potential, causing arcing and the corona effect. The electrical potential can also be varied to cause periodic arcing between the electrodes such that particulate passing through the arc is simultaneously vaporized and ionized. The invention further includes a spectrometer containing the source. The invention is particularly useful for ion mobility spectrometers and atmospheric pressure ionization mass spectrometers.

  8. Superponderomotive regime of tunneling ionization

    NASA Astrophysics Data System (ADS)

    Gordon, D. F.; Palastro, J. P.; Hafizi, B.

    2017-03-01

    Ultrarelativistic photoelectron spectra exhibit unexpected characteristics in a paraxial laser focus. The photoelectron energy scales superponderomotively, and the usual parabolic momentum distribution is distorted into a variety of intricate patterns, depending on the location of the ion. These patterns include discrete contours, which in some cases can be easily identified with a particular subcycle burst of ionization current. An analytical formula for the maximum photoelectron energy in a paraxial radiation field is given, and high-resolution momentum distributions with narrowly peaked features are presented. These narrowly peaked features suggest application to electron injection into plasma-based accelerators.

  9. Electron-impact ionization of ozone

    NASA Astrophysics Data System (ADS)

    Newson, Karl A.; Luc, Stephanie M.; Price, Stephen D.; Mason, Nigel J.

    1995-10-01

    Partial electron ionization cross-sections of ozone for incident electron energies from 40 to 500 eV have been determined using time-of-flight mass spectrometry. The cross-sections are derived by identifying the contribution of ozone to the ion signals recorded following ionization of a mixture of O2 and O3. Only one previous determination of these cross-sections, for energies up to 100 eV, is available in the literature. The cross-sections derived in the present study at these lower electron energies are in good agreement with the previous determination.

  10. Spectroscopy of triply and quadruply ionized states of mercury

    SciTech Connect

    Huttula, M.; Huttula, S.-M.; Lablanquie, P.; Palaudoux, J.; Penent, F.; Andric, L.; Eland, J. H. D.

    2011-03-15

    Multielectron coincidence spectroscopy has been used to study multiple ionization of atomic mercury. The binding energies of triply and quadruply ionized states of Hg have been determined from three- and fourfold electron coincidences. Relativistic ab initio theory has been used to calculate the state energies and predict the experimental findings.

  11. Electron ionization of metastable nitrogen and oxygen atoms in relation to the auroral emissions

    NASA Astrophysics Data System (ADS)

    Pandya, Siddharth; Joshipura, K. N.

    Atomic and molecular excited metastable states (EMS) are exotic systems due to their special properties like long radiative life-time, large size (average radius) and large polarizability along with relatively smaller first ionization energy compared to their respective ground states (GS). The present work includes our theoretical calculations on electron impact ionization of metastable atomic states N( (2) P), N( (2) D) of nitrogen and O( (1) S), O( (1) D) of oxygen. The targets of our present interest, are found to be present in our Earth's ionosphere and they play an important role in auroral emissions observed in Earth’s auroral regions [1] as also in the emissions observed from cometary coma [2, 3] and airglow emissions. In particular, atomic oxygen in EMS can radiate, the visible O( (1) D -> (3) P) doublet 6300 - 6364 Å red doublet, the O( (1) S -> (1) D) 5577 Å green line, and the ultraviolet O( (1) S -> (3) P) 2972 Å line. For metastable atomic nitrogen one observes the similar emissions, in different wavelengths, from (2) D and (2) P states. At the Earth's auroral altitudes, from where these emissions take place in the ionosphere, energetic electrons are also present. In particular, if the metastable N as well as O atoms are ionized by the impact of electrons then these species are no longer available for emissions. This is a possible loss mechanism, and hence it is necessary to analyze the importance of electron ionization of the EMS of atomic O and N, by calculating the relevant cross sections. In the present paper we investigate electron ionization of the said metastable species by calculating relevant total cross sections. Our quantum mechanical calculations are based on projected approximate ionization contribution in the total inelastic cross sections [4]. Detailed results and discussion along with the significance of these calculations will be presented during the COSPAR-2014. References [1] A.Bhardwaj, and G. R. Gladstone, Rev. Geophys., 38

  12. Effect of ionizing energy on extracts of Quillaja saponaria to be used as an antimicrobial agent on irradiated edible coating for fresh strawberries

    NASA Astrophysics Data System (ADS)

    Zúñiga, G. E.; Junqueira-Gonçalves, M. P.; Pizarro, M.; Contreras, R.; Tapia, A.; Silva, S.

    2012-01-01

    Incorporating antimicrobial compounds into edible films or coatings provides a novel way to improve the safety and shelf life of ready-to-eat foods. Diverse studies with Quillaja saponaria Mol. (popularly named quillay) extracts have demonstrated their potential as antifungal agents against phytopathogenic fungi. Crosslinking induced by ionizing radiation is an effective method for the improvement of both barrier and mechanical properties of the edible films and coatings based on milk proteins. However there are few reports about the effects of γ-radiation on plant extracts. The aim of this work was to evaluate the effect of ionizing radiation (0, 5, 10, 15, 20, 25 and 35 kGy) on extracts prepared from in vitro plants of Q. saponaria to be used as antimicrobial agent in irradiated edible coating based on calcium caseinate and whey protein isolated, and also to establish the concentration of Q. saponaria extract to be added as an antifungal agent in the coating. Gamma irradiation since 15 kGy affects negatively the antimicrobial activity and metabolites composition of extract of Q. saponaria by reducing compounds of phenolic nature. Otherwise no effect on saponins profile was observed even at higher doses. It was possible to conclude that the antifungal activity of Q. saponaria extract is mainly related to phenolic compounds content. In addition, our work also shows that to obtain an efficient antifungal protection is necessary to add a minimum concentration of 6% of the extract after the coating irradiation.

  13. The calculation of ionization energies by perturbation, configuration interaction and approximate coupled pair techniques and comparisons with green's function methods for Ne, H 2O and N 2

    NASA Astrophysics Data System (ADS)

    Bacskay, George B.

    1980-05-01

    The vertical valence ionization potentials of Ne, H 2O and N 2 have been calculated by Rayleigh-Schrödinger perturbation and configuration interaction methods. The calculations were carried out in the space of a single determinant reference state and its single and double excitations, using both the N and N - 1 electron Hartree-Fock orbitals as hole/particle bases. The perturbation series for the ion state were generally found to converge fairly slowly in the N electron Hartree-Fock (frozen) orbital basis, but considerably faster in the appropriate N - 1 electron RHF (relaxed) orbital basis. In certain cases, however, due to near-degeneracy effects, partial, and even complete, breakdown of the (non-degenerate) perturbation treatment was observed. The effects of higher excitations on the ionization potentials were estimated by the approximate coupled pair techniques CPA' and CPA″ as well as by a Davidson type correction formula. The final, fully converged CPA″ results are generally in good agreement with those from PNO-CEPA and Green's function calculations as well as experiment.

  14. Ground electronic states of RbO2+, CsO2+ and FrO2: the ionization energies of RbO2 and CsO2.

    PubMed

    Lee, Edmond P F; Wright, Timothy G

    2005-04-14

    Calculations are performed to establish the ground electronic states of RbO2+, CsO2+, and FrO2. In the case of the cations, both linear and C2v orientations were considered; for FrO2, the two lowest electronic states, 2A2 and 2B2, were considered in C2v symmetry. In addition, calculations were also performed on the x2 A2 ground states of RbO2 and CsO2 to derive ionization energies. Binding energies and heats of formation are also derived. The bonding in FrO2 is found to be less ionic than that of RbO2 and CsO2.

  15. INSTRUMENTS AND METHODS OF INVESTIGATION: Surface-ionization field mass-spectrometry studies of nonequilibrium surface ionization

    NASA Astrophysics Data System (ADS)

    Blashenkov, Nikolai M.; Lavrent'ev, Gennadii Ya

    2007-01-01

    The ionization of polyatomic molecules on tungsten and tungsten oxide surfaces is considered for quasiequilibrium or essentially nonequilibrium conditions (in the latter case, the term nonequilibrium surface ionization is used for adsorbate ionization). Heterogeneous reactions are supposed to proceed through monomolecular decay of polyatomic molecules or fragments of multimolecular complexes. The nonequilibrium nature of these reactions is established. The dependences of the current density of disordered ions on the surface temperature, electric field strength, and ionized particle energy distribution are obtained in analytical form. Heterogeneous dissociation energies, the ionization potentials of radicals, and the magnitude of reaction departure from equilibrium are determined from experimental data, as are energy exchange times between reaction products and surfaces, the number of molecules in molecular complexes, and the number of effective degrees of freedom in molecules and complexes. In collecting the data a new technique relying on surface-ionization field mass-spectrometry was applied.

  16. High-level ab initio predictions for the ionization energy, bond dissociation energies, and heats of formation of nickel carbide (NiC) and its cation (NiC+).

    PubMed

    Lau, Kai-Chung; Chang, Yih Chung; Shi, Xiaoyu; Ng, C Y

    2010-09-21

    The ionization energy (IE) of NiC and the 0 K bond dissociation energies (D(0)) and heats of formation at 0 K (ΔH(o)(f0)) and 298 K (ΔH(o)(f298)) for NiC and NiC(+) are predicted by the wavefunction based CCSDTQ(Full)/CBS approach and the multireference configuration interaction (MRCI) method with Davidson correction (MRCI+Q). The CCSDTQ(Full)/CBS calculations presented here involve the approximation to the complete basis set (CBS) limit at the coupled cluster level up to full quadruple excitations along with the zero-point vibrational energy (ZPVE), high-order correlation, core-valence electronic (CV), spin-orbit coupling (SO), and scalar relativistic effect (SR) corrections. The present calculations provide the correct symmetry predictions for the ground states of NiC and NiC(+) to be (1)∑(+) and (2)∑(+), respectively. The CCSDTQ(Full)/CBS IE(NiC)=8.356 eV is found to compare favorably with the experimental IE value of 8.372 05±0.000 06 eV. The predicted IE(NiC) value at the MRCI+Q/cc-pwCV5Z level, including the ZPVE, SO, and SR effects is 8.00 eV, which is 0.37 eV lower than the experimental value. This work together with the previous experimental and theoretical investigations supports the conclusion that the CCSDTQ(Full)/CBS method is capable of providing reliable IE predictions for 3d-transition metal carbides, such as FeC and NiC. Furthermore, the CCSDTQ(Full)/CBS calculations give the prediction of D(0)(Ni-C)-D(0)(Ni(+)-C)=0.688 eV, which is also consistent with the experimental determination of 0.732 21±0.000 06 eV, whereas the MRCI+Q calculations (with relativistic and CV effects) predict a significantly lower value of 0.39 eV for D(0)(Ni-C)-D(0)(Ni(+)-C). The analysis of the correction terms shows that the CV and valence-valence electronic correlations beyond CCSD(T) wavefunction and the relativistic effect make significant contributions to the calculated thermochemical properties of NiC/NiC(+). For the experimental D(0) and ΔH(o)(f0) values of

  17. Electron impact ionization of the gas-phase sorbitol

    NASA Astrophysics Data System (ADS)

    Chernyshova, Irina; Markush, Pavlo; Zavilopulo, Anatoly; Shpenik, Otto

    2015-03-01

    Ionization and dissociative ionization of the sorbitol molecule by electron impact have been studied using two different experimental methods. In the mass range of m/ z = 10-190, the mass spectra of sorbitol were recorded at the ionizing electron energies of 70 and 30 eV. The ion yield curves for the fragment ions have been analyzed and the appearance energies of these ions have been determined. The relative total ionization cross section of the sorbitol molecule was measured using monoenergetic electron beam. Possible fragmentation pathways for the sorbitol molecule were proposed.

  18. Characterization of the CDMS Ionization Readout

    NASA Astrophysics Data System (ADS)

    Phipps, Arran

    2007-10-01

    Current cosmological models predict that a large portion of the total mass of the universe, about eighty percent, consists of putative dark matter. Theory predicts this dark matter may be in the form of particles constantly passing through the Earth. A class of these particles may interact with ordinary matter, earning the name weakly-interacting massive particles (WIMPs). The Cryogenic Dark Matter Search (CDMS) aims to directly detect the existence of WIMPs. CDMS has designed ZIP (Z-dependent Ionization & Phonon) detectors which measure phonon production and ionization of an interaction, making it possible to determine the interacting particle. The low-energy threshold of the ZIP detectors is determined by the signal-to-noise ratio of the ionization readout. A characterization of the signal-to-noise ratio of the ionization readout, along with possible modifications for improved sensitivity will be presented.

  19. Ionization and positronium formation in noble gases

    SciTech Connect

    Marler, J.P.; Sullivan, J.P.; Surko, C.M.

    2005-02-01

    Absolute measurements are presented for the positron-impact cross sections for direct ionization and positronium formation of noble gas atoms in the range of energies from threshold to 90 eV. The experiment uses a cold, trap-based positron beam and the technique of studying positron scattering in a strong magnetic field. The current data show generally good, quantitative agreement with previous measurements taken using a qualitatively different method. However, significant differences in the cross sections for both direct ionization and positronium formation are also observed. An analysis is presented that yields another, independent measurement of the direct ionization and positronium formation cross sections that is in agreement with the present, direct measurements to within {+-}10% for argon, krypton, and xenon. Comparison with available theoretical predictions yields good quantitative agreement for direct ionization cross sections, and qualitative agreement in the case of positronium formation.

  20. Atmospheric-pressure laser ionization: a novel ionization method for liquid chromatography/mass spectrometry.

    PubMed

    Constapel, M; Schellenträger, M; Schmitz, O J; Gäb, S; Brockmann, K J; Giese, R; Benter, Th

    2005-01-01

    We report on the development of a new laser-ionization (LI) source operating at atmospheric pressure (AP) for liquid chromatography/mass spectrometry (LC/MS) applications. APLI is introduced as a powerful addition to existing AP ionization techniques, in particular atmospheric-pressure chemical ionization (APCI), electrospray ionization (ESI), and atmospheric pressure photoionization (APPI). Replacing the one-step VUV approach in APPI with step-wise two-photon ionization strongly enhances the selectivity of the ionization process. Furthermore, the photon flux during an ionization event is drastically increased over that of APPI, leading to very low detection limits. In addition, the APLI mechanism generally operates primarily directly on the analyte. This allows for very efficient ionization even of non-polar compounds such as polycyclic aromatic hydrocarbons (PAHs). The APLI source was characterized with a MicroMass Q-Tof Ultima II analyzer. Both the effluent of an HPLC column containing a number of PAHs (benzo[a]pyrene, fluoranthene, anthracene, fluorene) and samples from direct syringe injection were analyzed with respect to selectivity and sensitivity of the overall system. The liquid phase was vaporized by a conventional APCI inlet (AP probe) with the corona needle removed. Ionization was performed through selective resonance-enhanced multi-photon ionization schemes using a high-repetition-rate fixed-frequency excimer laser operating at 248 nm. Detection limits well within the low-fmol regime are readily obtained for various aromatic hydrocarbons that exhibit long-lived electronic states at the energy level of the first photon. Only molecular ions are generated at the low laser fluxes employed ( approximately 1 MW/cm(2)). The design and performance of the laser-ionization source are presented along with results of the analysis of aromatic hydrocarbons.

  1. Sequential binary collision ionization mechanisms

    NASA Astrophysics Data System (ADS)

    van Boeyen, R. W.; Watanabe, N.; Doering, J. P.; Moore, J. H.; Coplan, M. A.; Cooper, J. W.

    2004-03-01

    Fully differential cross sections for the electron-impact ionization of the magnesium 3s orbital have been measured in a high-momentum-transfer regime wherein the ionization mechanisms can be accurately described by simple binary collision models. Measurements where performed at incident-electron energies from 400 to 3000 eV, ejected-electron energies of 62 eV, scattering angle of 20 °, and momentum transfers of 2 to 5 a.u. In the out-of-plane geometry of the experiment the cross section is observed far off the Bethe ridge. Both first- and second-order processes can be clearly distinguished as previously observed by Murray et al [Ref. 1] and Schulz et al [Ref. 2]. Owing to the relatively large momentum of the ejected electron, the second order processes can be modeled as sequential binary collisions involving a binary elastic collision between the incident electron and ionic core and a binary knock-out collision between the incident electron and target electron. At low incident-electron energies the cross section for both first and second order processes are comparable, while at high incident energies second-order processes dominate. *Supported by NSF under grant PHY-99-87870. [1] A. J. Murray, M. B. J. Woolf, and F. H. Read J. Phys. B 25, 3021 (1992). [2] M. Schulz, R. Moshammer, D. Fischer, H. Kollmus, D. H. Madison. S. Jones and J. Ullrich, Nature 422, 48 (2003).

  2. Biological Effects of Ionizing Radiation

    DOE R&D Accomplishments Database

    Ingram, M.; Mason, W. B.; Whipple, G. H.; Howland, J. W.

    1952-04-07

    This report presents a review of present knowledge and concepts of the biological effects of ionizing radiations. Among the topics discussed are the physical and chemical effects of ionizing radiation on biological systems, morphological and physiological changes observed in biological systems subjected to ionizing radiations, physiological changes in the intact animal, latent changes following exposure of biological systems to ionizing radiations, factors influencing the biological response to ionizing radiation, relative effects of various ionizing radiations, and biological dosimetry.

  3. Theory of dissociative tunneling ionization

    NASA Astrophysics Data System (ADS)

    Svensmark, Jens; Tolstikhin, Oleg I.; Madsen, Lars Bojer

    2016-05-01

    We present a theoretical study of the dissociative tunneling ionization process. Analytic expressions for the nuclear kinetic energy distribution of the ionization rates are derived. A particularly simple expression for the spectrum is found by using the Born-Oppenheimer (BO) approximation in conjunction with the reflection principle. These spectra are compared to exact non-BO ab initio spectra obtained through model calculations with a quantum mechanical treatment of both the electronic and nuclear degrees of freedom. In the regime where the BO approximation is applicable, imaging of the BO nuclear wave function is demonstrated to be possible through reverse use of the reflection principle, when accounting appropriately for the electronic ionization rate. A qualitative difference between the exact and BO wave functions in the asymptotic region of large electronic distances is shown. Additionally, the behavior of the wave function across the turning line is seen to be reminiscent of light refraction. For weak fields, where the BO approximation does not apply, the weak-field asymptotic theory describes the spectrum accurately.

  4. Electron-Impact Ionization Cross Section Database

    National Institute of Standards and Technology Data Gateway

    SRD 107 Electron-Impact Ionization Cross Section Database (Web, free access)   This is a database primarily of total ionization cross sections of molecules by electron impact. The database also includes cross sections for a small number of atoms and energy distributions of ejected electrons for H, He, and H2. The cross sections were calculated using the Binary-Encounter-Bethe (BEB) model, which combines the Mott cross section with the high-incident energy behavior of the Bethe cross section. Selected experimental data are included.

  5. Resonant two-photon ionization and mass-analyzed threshold ionization spectroscopy of the selected rotamers of m-methoxyaniline and o-methoxyaniline

    NASA Astrophysics Data System (ADS)

    Lin, Jung Lee; Huang, Chen-Jso; Lin, Cheng-Huang; Tzeng, Wen Bih

    2007-07-01

    We report the resonant two-photon ionization and mass-analyzed threshold ionization (MATI) spectra of m-methoxyaniline and o-methoxyaniline. The vibronic features of m-methoxyaniline are built on 34308 ± 2 and 34495 ± 2 cm -1 corresponding to the origins of the S 1 ← S 0 electronic transition ( E1's) of the cis and trans rotamers. Analysis of the MATI spectra gives the adiabatic ionization energies (IEs) of 59983 ± 5 and 60879 ± 5 cm -1 for these two species. o-Methoxyaniline is found to have only one stable structure whose E1 and IE are 33875 ± 2 and 58678 ± 5 cm -1, respectively. Most of the active vibrations of m- and o-methoxyaniline in the electronically excited S 1 and cationic ground D 0 states result from the in-plane ring vibrations. Comparing these data with those of p-methoxyaniline allows us to learn about the vicinal substitution effects resulting from the relative locations of the NH 2 and OCH 3 substituents.

  6. Photoionization of hydroxymethyl (CD[sub 2]OH and CD[sub 2]OD) and methoxy (CD[sub 3]O) radicals. Photoion efficiency spectra, ionization energies, and thermochemistry

    SciTech Connect

    Kuo, S.C.; Zhang, Z.; Klemm, R.B. ); Liebman, J.F. ); Stief, L.J. ); Nesbitt, F.L. Coppin State College, Baltimore, MD )

    1994-04-14

    Photoion efficiency (PIE) spectra were obtained for CD[sub 2]OH, CD[sub 2]OD, and CD[sub 3]O radicals using the discharge flow-photoionization mass spectrometry technique. The radicals were generated in a flow tube via reaction of F atoms with the appropriate methanol isotopomers (CD[sub 3]OH [yields] CD[sub 2]OH, CD[sub 3]OD [yields] CD[sub 2]OD, and CD[sub 3]OH [yields] CD[sub 3]O), which were in large excess. Deuterated methoxy radicals, CD[sub 3]O, were also generated via the reaction of CD[sub 3] with NO[sub 2]. Photoionization of the radicals was achieved using high intensity, dispersed synchrotron radiation, and ionization energies (IE) of these radicals were derived from the thresholds of the PIE spectra: IE(CD[sub 2]OH) = 7.54 [+-] 0.02 eV, IE(CD[sub 2]OD) = 7.53 [+-] 0.02 eV, and IE(CD[sub 3]O) = 10.74 [+-] 0.02 eV. The PIE spectra for CD[sub 2]OH and CD[sub 3]O are compared to those of a previous photoionization study, and differences are discussed. Integration of previously published photoelectron spectroscopy data for CD[sub 2]OH yields a curve quite similar to our PIE spectrum. Empirical estimates of IE(CH[sub 2]OH) and IE(CH[sub 3]O) are given to corroborate our assignments. The measured ionization energies and the derived thermodynamic quantities are compared with previously reported results. 67 refs., 7 figs., 2 tabs.

  7. Electron Impact Ionization and Dissociative Ionization of C2H2

    NASA Technical Reports Server (NTRS)

    Srivastava, S. K.

    1995-01-01

    By utilizing a crossed electron beam collision geometry, a combination of time-of-flight (TOF) and quadrupole mass spectrometers, and the relative flow technique1 normalized values of cross sections and appearance energies (AP) were obtained for the formation of singly and multiply ionized species resulting from the ionization and dissociation of C2H2. Details ont he apparatus and technique have been published previously.2,3.

  8. Alkali metal ionization detector

    DOEpatents

    Bauerle, James E.; Reed, William H.; Berkey, Edgar

    1978-01-01

    Variations in the conventional filament and collector electrodes of an alkali metal ionization detector, including the substitution of helical electrode configurations for either the conventional wire filament or flat plate collector; or, the substitution of a plurality of discrete filament electrodes providing an in situ capability for transferring from an operationally defective filament electrode to a previously unused filament electrode without removing the alkali metal ionization detector from the monitored environment. In particular, the helical collector arrangement which is coaxially disposed about the filament electrode, i.e. the thermal ionizer, provides an improved collection of positive ions developed by the filament electrode. The helical filament design, on the other hand, provides the advantage of an increased surface area for ionization of alkali metal-bearing species in a monitored gas environment as well as providing a relatively strong electric field for collecting the ions at the collector electrode about which the helical filament electrode is coaxially positioned. Alternatively, both the filament and collector electrodes can be helical. Furthermore, the operation of the conventional alkali metal ionization detector as a leak detector can be simplified as to cost and complexity, by operating the detector at a reduced collector potential while maintaining the sensitivity of the alkali metal ionization detector adequate for the relatively low concentration of alkali vapor and aerosol typically encountered in leak detection applications.

  9. Non-dissociative and dissociative ionization of a CO+ beam in intense ultrashort laser pulses

    NASA Astrophysics Data System (ADS)

    Gaire, B.; Ablikim, U.; Zohrabi, M.; Roland, S.; Carnes, K. D.; Ben-Itzhak, I.

    2011-05-01

    We have investigated the ionization of CO+ beams in intense ultrashort laser pulses. With the recent upgrades to our coincidence three-dimensional momentum imaging method we are able to measure both non-dissociative and dissociative ionization of the molecular-ion beam targets. Using CO+ as an example, we have found that non-dissociative ionization (leading to the metastable dication CO2+) involves a direct transition, i.e. the molecule is ionized with little or no internuclear distance stretch. Dissociative ionization (C+ + O+) occurs both directly and indirectly, stretching first and then ionizing. Our results show that the yield of dissociative ionization is higher than that of non-dissociative ionization and can be manipulated with the laser pulse duration by suppressing the indirect ionization path using ultrashort pulses (<=10 fs). Supported by the Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy.

  10. Study of Y(3S, 2S)-> eta Y(1S) and Y(3S, 2S) -> pi pi- Y(1S) Hadronic Transitions

    SciTech Connect

    Lees, J.P.; Poireau, V.; Tisserand, V.; Garra Tico, J.; Grauges, E.; Martinelli, M.; Milanes, D.A.; Palano, A.; Pappagallo, M.; Eigen, G.; Stugu, B.; Brown, D.N.; Kerth, L.T.; Kolomensky, Yu.G.; Lynch, G.; Koch, H.; Schroeder, T.; Asgeirsson, D.J.; Hearty, C.; Mattison, T.S.; McKenna, J.A.; /British Columbia U. /Brunel U. /Novosibirsk, IYF /UC, Irvine /UC, Riverside /UC, Santa Barbara /UC, Santa Cruz /Caltech /Cincinnati U. /Colorado U. /Colorado State U. /Dortmund U. /Dresden, Tech. U. /Ecole Polytechnique /Edinburgh U. /INFN, Ferrara /INFN, Ferrara /Ferrara U. /INFN, Ferrara /Frascati /INFN, Genoa /Genoa U. /INFN, Genoa /INFN, Genoa /Genoa U. /INFN, Genoa /Indian Inst. Tech., Guwahati /Harvard U. /Harvey Mudd Coll. /Heidelberg U. /Humboldt U., Berlin /Imperial Coll., London /Iowa State U. /Iowa State U. /Johns Hopkins U. /Paris U., VI-VII /LLNL, Livermore /Liverpool U. /Queen Mary, U. of London /Royal Holloway, U. of London /Royal Holloway, U. of London /Louisville U. /Mainz U., Inst. Kernphys. /Manchester U. /Maryland U. /Massachusetts U., Amherst /MIT /McGill U. /INFN, Milan /Milan U. /INFN, Milan /INFN, Milan /Milan U. /Mississippi U. /Montreal U. /INFN, Naples /Naples U. /NIKHEF, Amsterdam /NIKHEF, Amsterdam /Notre Dame U. /Ohio State U. /Oregon U. /INFN, Padua /Padua U. /INFN, Padua /INFN, Padua /Padua U. /Paris U., VI-VII /INFN, Perugia /Perugia U. /INFN, Pisa /Pisa U. /INFN, Pisa /Pisa, Scuola Normale Superiore /INFN, Pisa /Pisa U. /INFN, Pisa /INFN, Pisa /Pisa U. /INFN, Pisa /Princeton U. /INFN, Rome /INFN, Rome /Rome U. /INFN, Rome /INFN, Rome /Rome U. /INFN, Rome /Rostock U. /Rutherford /DAPNIA, Saclay /SLAC /South Carolina U. /Southern Methodist U. /Stanford U., Phys. Dept. /SUNY, Albany /Tel Aviv U. /Tennessee U. /Texas Nuclear Corp., Austin /Texas U., Dallas /INFN, Turin /Turin U. /INFN, Trieste /Trieste U. /Valencia U. /Victoria U. /Warwick U. /Wisconsin U., Madison

    2012-03-27

    We study the {Upsilon}(3S, 2S) {yields} {eta}{Upsilon}(1S) and {Upsilon}(3S, 2S) {yields} {pi}{sup +}{pi}{sup -}{Upsilon}(1S) transitions with 122 x 10{sup 6} {Upsilon}(3S) and 100 x 10{sup 6} {Upsilon}(2S) mesons collected by the BABAR detector at the PEP-II asymmetric-energy e{sup +}e{sup -} collider. We measure {Beta}[{Upsilon}(2S) {yields} {eta}{Upsilon}(1S)] = (2.39 {+-} 0.31(stat.) {+-} 0.14(syst.)) x 10{sup -4} and {Lambda}[{Upsilon}(2S) {yields} {eta}{Upsilon}(1S)]/{Lambda}[{Upsilon}(2S) {yields} {pi}{sup +}{pi}{sup -}{Upsilon}(1S)] = (1.35 {+-} 0.17(stat.) {+-} 0.08(syst.)) x 10{sup -3}. We find no evidence for {Upsilon}(3S) {yields} {eta}{Upsilon}(1S) and obtain {Beta}[{Upsilon}(3S) {yields} {eta}{Upsilon}(1S)] < 1.0 x 10{sup -4} and {Lambda}[{Upsilon}(3S) {yields} {eta}{Upsilon}(1S)]/{Lambda}[{Upsilon}(3S) {yields} {pi}{sup +}{pi}{sup -}{Upsilon}(1S)] < 2.3 x 10{sup -3} as upper limits at the 90% confidence level. We also provide improved measurements of the {Upsilon}(2S)-{Upsilon}(1S) and {Upsilon}(3S)-{Upsilon}(1S) mass differences, 562.170 {+-} 0.007(stat.) {+-} 0.088(syst.)MeV/c{sup 2} and 893.813 {+-} 0.015(stat.) {+-} 0.107(syst.)MeV/c{sup 2}, respectively.

  11. Near-threshold electron-impact doubly differential cross sections for the ionization of argon and krypton

    SciTech Connect

    Yates, Brent R.; Khakoo, Murtadha A.

    2011-04-15

    We present normalized doubly differential cross sections (DDCS's) for the near-threshold, electron-impact single ionization of argon and krypton, similar to those taken earlier for Ne and Xe [Yates et al., J. Phys. B 42, 095206 (2009)]. The Ar measurements were taken at incident energies of 17, 18, 20, and 30 eV while the Kr measurements were taken at 15, 16, 17.5, and 20 eV. The DDCS scattering angles range from 15 deg. to 120 deg. The differential data are initially normalized to available experimental cross sections for excitation of the ground np{sup 6} to the np{sup 5}(n+1)s excited states of the noble gas and, after integration, to well-established experimental total ionization cross sections of Rapp and Englander-Golden [J. Chem. Phys. 43, 1464 (1965)].

  12. Modeling of the bipolar transistor under different pulse ionizing radiations

    NASA Astrophysics Data System (ADS)

    Antonova, A. M.; Skorobogatov, P. K.

    2017-01-01

    This paper describes a 2D model of the bipolar transistor 2T312 under gamma, X-ray and laser pulse ionizing radiations. Both the Finite Element Discretization and Semiconductor module of Comsol 5.1 are used. There is an analysis of energy deposition in this device under different radiations and the results of transient ionizing current response for some different conditions.

  13. Fuel cell with ionization membrane

    NASA Technical Reports Server (NTRS)

    Hartley, Frank T. (Inventor)

    2007-01-01

    A fuel cell is disclosed comprising an ionization membrane having at least one area through which gas is passed, and which ionizes the gas passing therethrough, and a cathode for receiving the ions generated by the ionization membrane. The ionization membrane may include one or more openings in the membrane with electrodes that are located closer than a mean free path of molecules within the gas to be ionized. Methods of manufacture are also provided.

  14. Bethe binary-encounter peaks in the double-differential cross sections for high-energy electron-impact ionization of H2 and He

    NASA Astrophysics Data System (ADS)

    Chatterjee, S.; Agnihotri, A. N.; Stia, C. R.; Fojón, O. A.; Rivarola, R. D.; Tribedi, L. C.

    2010-11-01

    We study the Bethe binary-encounter (BE) region in the ejected-electron double-differential emission spectrum of H2 and He targets in collisions with 8-keV electrons. We compare the absolute cross sections for these isoelectronic systems at high emission energies. The experimental data are analyzed in terms of a state-of-the-art theoretical model based on a two-effective-center approximation. In the case of the H2 molecule the binary peak in the double-differential cross sections (DDCS) is enhanced due to the two-center Young-type interference. The observed undulation in the DDCS ratio is explained in terms of the combined contributions of the Compton profile mismatch and the interference effect. The influence of the interference effect is thus observed for higher-energy electrons compared to most of the earlier studies which focused on low-energy electrons produced in soft collisions.

  15. Bethe binary-encounter peaks in the double-differential cross sections for high-energy electron-impact ionization of H{sub 2} and He

    SciTech Connect

    Chatterjee, S.; Agnihotri, A. N.; Tribedi, L. C.; Stia, C. R.; Fojon, O. A.; Rivarola, R. D.

    2010-11-15

    We study the Bethe binary-encounter (BE) region in the ejected-electron double-differential emission spectrum of H{sub 2} and He targets in collisions with 8-keV electrons. We compare the absolute cross sections for these isoelectronic systems at high emission energies. The experimental data are analyzed in terms of a state-of-the-art theoretical model based on a two-effective-center approximation. In the case of the H{sub 2} molecule the binary peak in the double-differential cross sections (DDCS) is enhanced due to the two-center Young-type interference. The observed undulation in the DDCS ratio is explained in terms of the combined contributions of the Compton profile mismatch and the interference effect. The influence of the interference effect is thus observed for higher-energy electrons compared to most of the earlier studies which focused on low-energy electrons produced in soft collisions.

  16. Theory of multiphoton ionization of atoms

    SciTech Connect

    Szoeke, A.

    1986-03-01

    A non-perturbative approach to the theory of multiphoton ionization is reviewed. Adiabatic Floquet theory is its first approximation. It explains qualitatively the energy and angular distribution of photoelectrons. In many-electron atoms it predicts collective and inner shell excitation. 14 refs.

  17. Ionization of Interstellar Hydrogen Beyond the Termination Shock

    NASA Astrophysics Data System (ADS)

    Gruntman, Mike

    2016-11-01

    Models of solar wind interaction with the surrounding interstellar medium usually disregard ionization of interstellar hydrogen atoms beyond the solar wind termination shock. If and when included, the effects of ionization in the heliospheric interface region are often obscured by complexities of the interaction. This work assesses the importance of interstellar hydrogen ionization in the heliosheath. Photoionization could be accounted for in a straightforward way. In contrast, electron impact ionization is largely unknown because of poorly understood energy transfer to electrons at the termination shock and beyond. We first estimate the effect of photoionization and then use it as a yardstick to assess the role of electron impact ionization. The physical estimates show that ionization of interstellar hydrogen may lead to significant mass loading in the inner heliosheath which would slow down plasma flowing toward the heliotail and deplete populations of nonthermal protons, with the corresponding effect on heliospheric fluxes of energetic neutral atoms.

  18. Atmospheric Ionization Measurements

    NASA Astrophysics Data System (ADS)

    Slack, Thomas; Mayes, Riley

    2015-04-01

    The measurement of atmospheric ionization is a largely unexplored science that potentially holds the key to better understanding many different geophysical phenomena through this new and valuable source of data. Through the LaACES program, which is funded by NASA through the Louisiana Space Consortium, students at Loyola University New Orleans have pursued the goal of measuring high altitude ionization for nearly three years, and were the first to successfully collect ionization data at altitudes over 30,000 feet using a scientific weather balloon flown from the NASA Columbia Scientific Ballooning Facility in Palestine, TX. In order to measure atmospheric ionization, the science team uses a lightweight and highly customized sensor known as a Gerdien condenser. Among other branches of science the data is already being used for, such as the study of aerosol pollution levels in the atmosphere, the data may also be useful in meteorology and seismology. Ionization data might provide another variable with which to predict weather or seismic activity more accurately and further in advance. Thomas Slack and Riley Mayes have served as project managers for the experiment, and have extensive knowledge of the experiment from the ground up. LaSPACE Louisiana Space Consortium.

  19. A mechanism for ionization of nonvolatile compounds in mass spectrometry: considerations from MALDI and inlet ionization.

    PubMed

    Trimpin, Sarah; Wang, Beixi; Inutan, Ellen D; Li, Jing; Lietz, Christopher B; Harron, Andrew; Pagnotti, Vincent S; Sardelis, Diana; McEwen, Charles N

    2012-10-01

    Mechanistic arguments relative to matrix-assisted laser desorption/ionization (MALDI) mass spectrometry (MS) address observations that predominately singly charged ions are detected. However, recently a matrix assisted laser ablation method, laserspray ionization (LSI), was introduced that can use the same sample preparation and laser as MALDI, but produce highly charged ions from proteins. In MALDI, ions are generated from neutral molecules by the photon energy provided to a matrix, while in LSI ions are produced inside a heated inlet tube linking atmospheric pressure and the first vacuum region of the mass spectrometer. Some LSI matrices also produce highly charged ions with MALDI ion sources operated at intermediate pressure or high vacuum. The operational similarity of LSI to MALDI, and the large difference in charge states observed by these methods, provides information of fundamental importance to proposed ionization mechanisms for LSI and MALDI. Here, we present data suggesting that the prompt and delayed ionization reported for vacuum MALDI are both fast processes relative to producing highly charged ions by LSI. The energy supplied to produce these charged clusters/droplets as well as their size and time available for desolvation are determining factors in the charge states of the ions observed. Further, charged droplets/clusters may be a common link for ionization of nonvolatile compounds by a variety of MS ionization methods, including MALDI and LSI.

  20. Measurement of the first ionization potential of astatine by laser ionization spectroscopy

    NASA Astrophysics Data System (ADS)

    Rothe, S.; Andreyev, A. N.; Antalic, S.; Borschevsky, A.; Capponi, L.; Cocolios, T. E.; de Witte, H.; Eliav, E.; Fedorov, D. V.; Fedosseev, V. N.; Fink, D. A.; Fritzsche, S.; Ghys, L.; Huyse, M.; Imai, N.; Kaldor, U.; Kudryavtsev, Yuri; Köster, U.; Lane, J. F. W.; Lassen, J.; Liberati, V.; Lynch, K. M.; Marsh, B. A.; Nishio, K.; Pauwels, D.; Pershina, V.; Popescu, L.; Procter, T. J.; Radulov, D.; Raeder, S.; Rajabali, M. M.; Rapisarda, E.; Rossel, R. E.; Sandhu, K.; Seliverstov, M. D.; Sjödin, A. M.; van den Bergh, P.; van Duppen, P.; Venhart, M.; Wakabayashi, Y.; Wendt, K. D. A.

    2013-05-01

    The radioactive element astatine exists only in trace amounts in nature. Its properties can therefore only be explored by study of the minute quantities of artificially produced isotopes or by performing theoretical calculations. One of the most important properties influencing the chemical behaviour is the energy required to remove one electron from the valence shell, referred to as the ionization potential. Here we use laser spectroscopy to probe the optical spectrum of astatine near the ionization threshold. The observed series of Rydberg states enabled the first determination of the ionization potential of the astatine atom, 9.31751(8) eV. New ab initio calculations are performed to support the experimental result. The measured value serves as a benchmark for quantum chemistry calculations of the properties of astatine as well as for the theoretical prediction of the ionization potential of superheavy element 117, the heaviest homologue of astatine.

  1. Measurement of the first ionization potential of astatine by laser ionization spectroscopy

    PubMed Central

    Rothe, S.; Andreyev, A. N.; Antalic, S.; Borschevsky, A.; Capponi, L.; Cocolios, T. E.; De Witte, H.; Eliav, E.; Fedorov, D. V.; Fedosseev, V. N.; Fink, D. A.; Fritzsche, S.; Ghys, L.; Huyse, M.; Imai, N.; Kaldor, U.; Kudryavtsev, Yuri; Köster, U.; Lane, J. F. W.; Lassen, J.; Liberati, V.; Lynch, K. M.; Marsh, B. A.; Nishio, K.; Pauwels, D.; Pershina, V.; Popescu, L.; Procter, T. J.; Radulov, D.; Raeder, S.; Rajabali, M. M.; Rapisarda, E.; Rossel, R. E.; Sandhu, K.; Seliverstov, M. D.; Sjödin, A. M.; Van den Bergh, P.; Van Duppen, P.; Venhart, M.; Wakabayashi, Y.; Wendt, K. D. A.

    2013-01-01

    The radioactive element astatine exists only in trace amounts in nature. Its properties can therefore only be explored by study of the minute quantities of artificially produced isotopes or by performing theoretical calculations. One of the most important properties influencing the chemical behaviour is the energy required to remove one electron from the valence shell, referred to as the ionization potential. Here we use laser spectroscopy to probe the optical spectrum of astatine near the ionization threshold. The observed series of Rydberg states enabled the first determination of the ionization potential of the astatine atom, 9.31751(8) eV. New ab initio calculations are performed to support the experimental result. The measured value serves as a benchmark for quantum chemistry calculations of the properties of astatine as well as for the theoretical prediction of the ionization potential of superheavy element 117, the heaviest homologue of astatine. PMID:23673620

  2. Measurement of the first ionization potential of astatine by laser ionization spectroscopy.

    PubMed

    Rothe, S; Andreyev, A N; Antalic, S; Borschevsky, A; Capponi, L; Cocolios, T E; De Witte, H; Eliav, E; Fedorov, D V; Fedosseev, V N; Fink, D A; Fritzsche, S; Ghys, L; Huyse, M; Imai, N; Kaldor, U; Kudryavtsev, Yuri; Köster, U; Lane, J F W; Lassen, J; Liberati, V; Lynch, K M; Marsh, B A; Nishio, K; Pauwels, D; Pershina, V; Popescu, L; Procter, T J; Radulov, D; Raeder, S; Rajabali, M M; Rapisarda, E; Rossel, R E; Sandhu, K; Seliverstov, M D; Sjödin, A M; Van den Bergh, P; Van Duppen, P; Venhart, M; Wakabayashi, Y; Wendt, K D A

    2013-01-01

    The radioactive element astatine exists only in trace amounts in nature. Its properties can therefore only be explored by study of the minute quantities of artificially produced isotopes or by performing theoretical calculations. One of the most important properties influencing the chemical behaviour is the energy required to remove one electron from the valence shell, referred to as the ionization potential. Here we use laser spectroscopy to probe the optical spectrum of astatine near the ionization threshold. The observed series of Rydberg states enabled the first determination of the ionization potential of the astatine atom, 9.31751(8) eV. New ab initio calculations are performed to support the experimental result. The measured value serves as a benchmark for quantum chemistry calculations of the properties of astatine as well as for the theoretical prediction of the ionization potential of superheavy element 117, the heaviest homologue of astatine.

  3. External ionization mechanisms for advanced thermionic converters

    NASA Astrophysics Data System (ADS)

    Hatziprokopiou, M. E.

    Ion generation and recombination mechanisms in the cesium plasma were investigated as they pertain to the advanced mode thermionic energy converters. The changes in plasma density and temperature within the converter were studied under the influence of several promising auxiliary ionization candidate sources. Three novel approaches of external cesium ion generation were investigated in some detail, namely vibrationally excited N2 as an energy source of ionization of Cs ions in a DC discharge, microwave power as a means of resonant sustenance of the cesium plasma, and ion generation in a pulse N2-Cs mixture. The experimental data obtained and discussed in this work show that all three techniques--i.e. the non-LTE high-voltage pulsing, the energy transfer from vibrationally excited diatomic gases, and the external pumping with a microwave power--have considerable promise as schemes in auxiliary ion generation applicable to the advanced thermionic energy converter.

  4. Time-dependent coupling of electron energy distribution function, vibrational kinetics of the asymmetric mode of CO2 and dissociation, ionization and electronic excitation kinetics under discharge and post-discharge conditions

    NASA Astrophysics Data System (ADS)

    Pietanza, L. D.; Colonna, G.; D'Ammando, G.; Capitelli, M.

    2017-01-01

    A time-dependent self-consistent model based on the coupling of the Boltzmann equation for the electron energy distribution function (EEDF) with the non-equilibrium vibrational kinetics of the asymmetric mode, as well as a simplified global model, have been implemented for a pure CO2 plasma. The simplified time-dependent global model takes into account dissociation and ionization as well as the reverse of these processes. It also takes into account the excitation/de-excitation of an electronic excited state at 10.5 eV. The model has been applied to describe the discharge and post-discharge conditions typically met in an atmospheric-pressure dielectric barrier discharge (DBD) and in a moderate-pressure microwave discharge. The reported results show the strong coupling between the excited state and the electron energy distribution kinetics due to superelastic (vibrational and electronic) collisions. Moreover, the dissociation rate from a pure vibrational mechanism can become competitive with the corresponding rate from the direct electron impact mechanism at high values of vibrational temperature.

  5. Double ionization of helium by particle impact

    NASA Technical Reports Server (NTRS)

    Jacobsen, Finn M.

    1990-01-01

    Experimental results are reviewed of the ratio, R sq., of double to single ionization of He by proton, antiproton, electron and positron impact in the energy range from 0.15 to about 10 MeV/amu. At high velocities (greater than 1 to 2 MeV/amu) values of R sq. caused by electron impact merge with those for the proton with the antiproton, electron values being up to a factor of 2 greater than that for the p, positron. At these velocities the single ionization cross sections caused by impact of any of these four particles are indistinguishable.

  6. Two-photon above-threshold ionization of hydrogen over the photon energy range from 15 eV to 50 keV

    SciTech Connect

    Florescu, Viorica; Budriga, Olimpia; Bachau, Henri

    2011-09-15

    We investigate the absorption of two identical photons from the ground state of hydrogen-like atoms over an energy range that extends beyond that explored up to now. Our approach is based on a hybrid formula, valid in second-order perturbation theory, in which the A{sup 2} contribution from the nonrelativistic Hamiltonian is treated exactly, while the A{center_dot}P contribution is calculated in dipole approximation. We find that, at least up to 50 keV, the nonrelativistic dipole approximation, based only on the A{center_dot}P contribution, determines the values of the total cross section. Our numerical results, covering photon energies from 90 nm (13.7 eV) to 0.0248 nm (50 keV) are in very good agreement with most previous theoretical works. Differences with recent results are discussed.

  7. Ambient ionization mass spectrometry

    NASA Astrophysics Data System (ADS)

    Lebedev, A. T.

    2015-07-01

    Ambient ionization mass spectrometry emerged as a new scientific discipline only about ten years ago. A considerable body of information has been reported since that time. Keeping the sensitivity, performance and informativity of classical mass spectrometry methods, the new approach made it possible to eliminate laborious sample preparation procedures and triggered the development of miniaturized instruments to work directly in the field. The review concerns the theoretical foundations and design of ambient ionization methods. Their advantages and drawbacks, as well as prospects for application in chemistry, biology, medicine, environmetal analysis, etc., are discussed. The bibliography includes 194 references.

  8. Partial cross sections of helium satellites at medium photon energies

    SciTech Connect

    Wehlitz, R.; Sellin, I.A.; Hemmers, O.

    1997-04-01

    Still of current interest is the important role of single ionization with excitation compared to single ionization alone. The coupling between the electrons and the incoming photon is a single-particle operator. Thus, an excitation in addition to an ionization, leading to a so-called satellite line in a photoelectron spectrum, is entirely due to electron-electron interaction and probes the electron correlation in the ground and final state. Therefore the authors have undertaken the study of the intensity of helium satellites He{sup +}nl (n = 2 - 6) relative to the main photoline (n = 1) as a function of photon energy at photon energies well above threshold up to 900 eV. From these results they could calculate the partial cross-sections of the helium satellites. In order to test the consistency of their satellite-to-1s ratios with published double-to-single photoionization ratios, the authors calculated the double-to-single photoionization ratio from their measured ratios using the theoretical energy-distribution curves of Chang and Poe and Le Rouzo and Dal Cappello which proved to be valid for photon energies below 120 eV. These calculated double-to-single ionization ratios agree fairly well with recent ion measurements. In the lower photon energy range the authors ratios agree better with the ratios of Doerner et al. while for higher photon energies the agreement is better with the values of Levin et al.

  9. Mass analyzed threshold ionization (MATI) with VUV radiation

    NASA Astrophysics Data System (ADS)

    Kostko, Oleg; Kim, Sang Kyu; Wilson, Kevin R.; Leone, Stephen R.; Ahmed, Musahid

    2009-05-01

    Mass analyzed threshold ionization is a combination of threshold ionization spectroscopy with mass spectrometry. Similar to zero electron kinetic energy (ZEKE), MATI spectroscopy takes advantage of the field ionization of long lived high Rydberg states to obtain an ionization threshold and perform spectroscopy on the resulting cation. MATI at the synchrotron utilizing tunable VUV light opens up a novel way to perform spectroscopy on ions and improve the resolution in ionization energy determination in comparison with conventional photoionization efficiency curve measurements. This method is implemented at the Advanced Light Source and vibrationally-resolved MATI spectra for simple di- and polyatomic molecules (O2, N2, H2O, N2O, C2H2, and C6H6) are measured. This preliminary work allows us to test the applicability of MATI at a synchrotron and prepare for investigation of more complex systems such as mixtures of molecules, isomers and clusters.

  10. Ionizing Radiation and Its Risks

    PubMed Central

    Goldman, Marvin

    1982-01-01

    Penetrating ionizing radiation fairly uniformly puts all exposed molecules and cells at approximately equal risk for deleterious consequences. Thus, the original deposition of radiation energy (that is, the dose) is unaltered by metabolic characteristics of cells and tissue, unlike the situation for chemical agents. Intensely ionizing radiations, such as neutrons and alpha particles, are up to ten times more damaging than sparsely ionizing sources such as x-rays or gamma rays for equivalent doses. Furthermore, repair in cells and tissues can ameliorate the consequences of radiation doses delivered at lower rates by up to a factor of ten compared with comparable doses acutely delivered, especially for somatic (carcinogenic) and genetic effects from x- and gamma-irradiation exposure. Studies on irradiated laboratory animals or on people following occupational, medical or accidental exposures point to an average lifetime fatal cancer risk of about 1 × 10-4 per rem of dose (100 per 106 person-rem). Leukemia and lung, breast and thyroid cancer seem more likely than other types of cancer to be produced by radiation. Radiation exposures from natural sources (cosmic rays and terrestrial radioactivity) of about 0.1 rem per year yield a lifetime cancer risk about 0.1 percent of the normally occurring 20 percent risk of cancer death. An increase of about 1 percent per rem in fatal cancer risk, or 200 rem to double the “background” risk rate, is compared with an estimate of about 100 rem to double the genetic risk. Newer data suggest that the risks for low-level radiation are lower than risks estimated from data from high exposures and that the present 5 rem per year limit for workers is adequate. PMID:6761969

  11. Ionization of EPA Contaminants in Direct and Dopant-Assisted Atmospheric Pressure Photoionization and Atmospheric Pressure Laser Ionization

    NASA Astrophysics Data System (ADS)

    Kauppila, Tiina J.; Kersten, Hendrik; Benter, Thorsten

    2015-06-01

    Seventy-seven EPA priority environmental pollutants were analyzed using gas chromatography-mass spectrometry (GC-MS) equipped with an optimized atmospheric pressure photoionization (APPI) and an atmospheric pressure laser ionization (APLI) interface with and without dopants. The analyzed compounds included e.g., polycyclic aromatic hydrocarbons (PAHs), nitro compounds, halogenated compounds, aromatic compounds with phenolic, acidic, alcohol, and amino groups, phthalate and adipatic esters, and aliphatic ethers. Toluene, anisole, chlorobenzene, and acetone were tested as dopants. The widest range of analytes was ionized using direct APPI (66/77 compounds). The introduction of dopants decreased the amount of compounds ionized in APPI (e.g., 54/77 with toluene), but in many cases the ionization efficiency increased. While in direct APPI the formation of molecular ions via photoionization was the main ionization reaction, dopant-assisted (DA) APPI promoted ionization reactions, such as charge exchange and proton transfer. Direct APLI ionized a much smaller amount of compounds than APPI (41/77 compounds), showing selectivity towards compounds with low ionization energies (IEs) and long-lived resonantly excited intermediate states. DA-APLI, however, was able to ionize a higher amount of compounds (e.g. 51/77 with toluene), as the ionization took place entirely through dopant-assisted ion/molecule reactions similar to those in DA-APPI. Best ionization efficiency in APPI and APLI (both direct and DA) was obtained for PAHs and aromatics with O- and N-functionalities, whereas nitro compounds and aliphatic ethers were the most difficult to ionize. Halogenated aromatics and esters were (mainly) ionized in APPI, but not in APLI.

  12. Ionization of EPA contaminants in direct and dopant-assisted atmospheric pressure photoionization and atmospheric pressure laser ionization.

    PubMed

    Kauppila, Tiina J; Kersten, Hendrik; Benter, Thorsten

    2015-06-01

    Seventy-seven EPA priority environmental pollutants were analyzed using gas chromatography-mass spectrometry (GC-MS) equipped with an optimized atmospheric pressure photoionization (APPI) and an atmospheric pressure laser ionization (APLI) interface with and without dopants. The analyzed compounds included e.g., polycyclic aromatic hydrocarbons (PAHs), nitro compounds, halogenated compounds, aromatic compounds with phenolic, acidic, alcohol, and amino groups, phthalate and adipatic esters, and aliphatic ethers. Toluene, anisole, chlorobenzene, and acetone were tested as dopants. The widest range of analytes was ionized using direct APPI (66/77 compounds). The introduction of dopants decreased the amount of compounds ionized in APPI (e.g., 54/77 with toluene), but in many cases the ionization efficiency increased. While in direct APPI the formation of molecular ions via photoionization was the main ionization reaction, dopant-assisted (DA) APPI promoted ionization reactions, such as charge exchange and proton transfer. Direct APLI ionized a much smaller amount of compounds than APPI (41/77 compounds), showing selectivity towards compounds with low ionization energies (IEs) and long-lived resonantly excited intermediate states. DA-APLI, however, was able to ionize a higher amount of compounds (e.g. 51/77 with toluene), as the ionization took place entirely through dopant-assisted ion/molecule reactions similar to those in DA-APPI. Best ionization efficiency in APPI and APLI (both direct and DA) was obtained for PAHs and aromatics with O- and N-functionalities, whereas nitro compounds and aliphatic ethers were the most difficult to ionize. Halogenated aromatics and esters were (mainly) ionized in APPI, but not in APLI.

  13. Perturbation analysis of ionization oscillations in Hall effect thrusters

    SciTech Connect

    Hara, Kentaro Sekerak, Michael J.; Boyd, Iain D.; Gallimore, Alec D.

    2014-12-15

    A perturbation analysis of ionization oscillations, which cause low frequency oscillations of the discharge plasma, in Hall effect thrusters is presented including the electron energy equation in addition to heavy-species transport. Excitation and stabilization of such oscillations, often called the breathing mode, are discussed in terms of the growth rate obtained from the linear perturbation equations of the discharge plasma. The instability induced from the ionization occurs only when the perturbation in the electron energy is included while the neutral atom flow contributes to the damping of the oscillation. Effects of the electron energy loss mechanisms such as wall heat loss, inelastic collisions, and convective heat flux are discussed. It is shown that the ionization oscillations can be damped when the electron transport is reduced and the electron temperature increases so that the energy loss to the wall stabilizes the ionization instability.

  14. Outer-shell photodetachment of the metastable Be{sup -} 1s{sup 2}2s2p{sup 2} {sup 4}P{sup e} state

    SciTech Connect

    Sanz-Vicario, Jose Luis; Lindroth, Eva

    2003-07-01

    We report calculated photodetachment cross sections from the metastable Be{sup -} 1s{sup 2}2s2p{sup 2} {sup 4}P{sup e} state in the photon energy range 0-10 eV. Outer-shell photodetachment takes place in this energy range, which includes the double-ionization threshold Be{sup +}({sup 2}S{sup e}) at {approx}7 eV as well as doubly excited thresholds of the residual atom up to the Be(1s{sup 2}2p4f) threshold at {approx}10 eV. Therefore, triply excited states of Be{sup -} are reached within the selected photon energy. We have implemented the complex scaled configuration interaction method along with a model potential for the 1s{sup 2} core to uncover the first series of Be{sup -} {sup 4}L{sup o} resonant states. In this work, four {sup 4}P{sup o}, seven {sup 4}D{sup o}, and two {sup 4}S{sup o} resonances are reported and we compare our cross section with other previous theoretical calculations, that reported none or, at most, two resonances.

  15. Ionizing radiation and life.

    PubMed

    Dartnell, Lewis R

    2011-01-01

    Ionizing radiation is a ubiquitous feature of the Cosmos, from exogenous cosmic rays (CR) to the intrinsic mineral radioactivity of a habitable world, and its influences on the emergence and persistence of life are wide-ranging and profound. Much attention has already been focused on the deleterious effects of ionizing radiation on organisms and the complex molecules of life, but ionizing radiation also performs many crucial functions in the generation of habitable planetary environments and the origins of life. This review surveys the role of CR and mineral radioactivity in star formation, generation of biogenic elements, and the synthesis of organic molecules and driving of prebiotic chemistry. Another major theme is the multiple layers of shielding of planetary surfaces from the flux of cosmic radiation and the various effects on a biosphere of violent but rare astrophysical events such as supernovae and gamma-ray bursts. The influences of CR can also be duplicitous, such as limiting the survival of surface life on Mars while potentially supporting a subsurface biosphere in the ocean of Europa. This review highlights the common thread that ionizing radiation forms between the disparate component disciplines of astrobiology.

  16. Alkali ionization detector

    DOEpatents

    Hrizo, John; Bauerle, James E.; Witkowski, Robert E.

    1982-01-01

    A calibration filament containing a sodium-bearing compound is included in combination with the sensing filament and ion collector plate of a sodium ionization detector to permit periodic generation of sodium atoms for the in-situ calibration of the detector.

  17. Ionizing radiation from tobacco

    SciTech Connect

    Westin, J.B.

    1987-04-24

    Accidents at nuclear power facilities seem inevitably to bring in their wake a great deal of concern on the part of both the lay and medical communities. Relatively little attention, however, is given to what may be the largest single worldwide source of effectively carcinogenic ionizing radiation: tobacco. The risk of cancer deaths from the Chernobyl disaster are tobacco smoke is discussed.

  18. Microchip sonic spray ionization.

    PubMed

    Pól, Jaroslav; Kauppila, Tiina J; Haapala, Markus; Saarela, Ville; Franssila, Sami; Ketola, Raimo A; Kotiaho, Tapio; Kostiainen, Risto

    2007-05-01

    The first microchip version of sonic spray ionization (SSI) as an atmospheric pressure ionization source for mass spectrometry (MS) is presented. The microchip used for SSI has recently been developed in our laboratory, and it has been used before as an atmospheric pressure chemical ionization (APCI) and atmospheric pressure photoionization (APPI) source. Now the ionization is achieved simply by applying high (sonic) speed nebulizer gas, without heat, corona discharge, or high voltage. The microchip SSI was applied to the analysis of tetra-N-butylammonium, verapamil, testosterone, angiotensin I, and ibuprofen. The limits of detection were in the range of 15 nM to 4 microM. The technique was found to be highly dependent on the position of the chip toward the mass spectrometer inlet, and on the gas and the sample solution flow rates. The microchip SSI provided dynamic linearity following a pattern similar to that used with electrospray, good quantitative repeatability (RSD=16%), and long-term signal stability.

  19. The MICE Demonstration of Ionization Cooling

    SciTech Connect

    Pasternak, J.; Blackmore, V.; Hunt, C.; Lagrange, J-B.; Long, K.; Collomb, N.; Snopok, P.

    2015-05-01

    Muon beams of low emittance provide the basis for the intense, well-characterised neutrino beams necessary to elucidate the physics of flavour at the Neutrino Factory and to provide lepton-antilepton collisions at energies of up to several TeV at the Muon Collider. The International Muon Ionization Cooling Experiment (MICE) will demonstrate ionization cooling, the technique by which it is proposed to reduce the phase-space volume occupied by the muon beam at such facilities. In an ionization cooling channel, the muon beam passes through a material (the absorber) in which it loses energy. The energy lost is then replaced using RF cavities. The combined effect of energy loss and re-acceleration is to reduce the transverse emittance of the beam (transverse cooling). A major revision of the scope of the project was carried out over the summer of 2014. The revised project plan, which has received the formal endorsement of the international MICE Project Board and the international MICE Funding Agency Committee, will deliver a demonstration of ionization cooling by September 2017. In the revised configuration a central lithium-hydride absorber provides the cooling effect. The magnetic lattice is provided by the two superconducting focus coils and acceleration is provided by two 201 MHz single-cavity modules. The phase space of the muons entering and leaving the cooling cell will be measured by two solenoidal spectrometers. All the superconducting magnets for the ionization cooling demonstration are available at the Rutherford Appleton Laboratory and the first single-cavity prototype is under test in the MuCool Test Area at Fermilab. The design of the cooling demonstration experiment will be described together with a summary of the performance of each of its components. The cooling performance of the revised configuration will also be presented.

  20. Studies on inverse optogalvanic and Penning ionization effects in ytterbium and neon transitions in Yb-Ne hollow cathode lamp

    NASA Astrophysics Data System (ADS)

    Kumar, P.; Saini, V. K.; Purbia, G. S.; Prakash, O.; Dixit, S. K.; Nakhe, S. V.

    2014-02-01

    This paper presents novel observations on inverse optogalvanic effect in Yb transition at 679.9 nm (3P1→3S1) in contrast with the observed normal optogalvanic effect at 648.9 nm (3P0→3S1) transition and Penning ionization in Yb3Ne mixture by probing Ne transitions at 626.65 (1s3→2p5), 633.44 (1s5→2p8), 650.65 (1s4→2p8) and 659.89 nm (1s2→2p2) in Yb3Ne hollow cathode lamp. These conclusions are derived by studying the optogalvanic signals temporal profile probed by DCM dye based narrow line-width ~2 GHz, short pulse ~20 ns, high repetition rate 5.0 kHz tunable dye laser, as a function of discharge current. The observed inverse optogalvanic effect is attributed to the transfer of Yb population in the level 3P0 through radiative decay from the upper level 3S1 of the transition. This proposition is confirmed by recording the emission spectra of Yb3Ne hollow cathode lamp. The Penning ionization signature in Ne optogalvanic signals is due to the quasi-resonances between Yb and Ne energy levels. Penning signature observed in optogalvanic signal of Ne transition at 650.65 nm is unique and attributed to the increase in concentration of Ne metastable level 1s5 through radiative decay from the 2p8 level.

  1. Modulated voltage metastable ionization detector

    NASA Technical Reports Server (NTRS)

    Carle, G. C.; Kojiro, D. R.; Humphrey, D. E. (Inventor)

    1985-01-01

    The output current from a metastable ionization detector (MID) is applied to a modulation voltage circuit. An adjustment is made to balance out the background current, and an output current, above background, is applied to an input of a strip chart recorder. For low level concentrations, i.e., low detected output current, the ionization potential will be at a maximum and the metastable ionization detector will operate at its most sensitive level. When the detected current from the metastable ionization detector increases above a predetermined threshold level, a voltage control circuit is activated which turns on a high voltage transistor which acts to reduce the ionization potential. The ionization potential applied to the metastable ionization detector is then varied so as to maintain the detected signal level constant. The variation in ionization potential is now related to the concentration of the constituent and a representative amplitude is applied to another input of said strip chart recorder.

  2. Electron-impact double ionization of magnesium

    SciTech Connect

    Ford, M.J.; El-Marji, B.; Doering, J.P.; Moore, J.H.; Coplan, M.A.; Cooper, J.W.

    1998-01-01

    Electron-impact double-ionization cross sections differential in the angles of the two ejected electrons have been measured at impact energies of 422 and 1052 eV. The energies of the ejected electrons were fixed at 100 eV each. The cross sections are very different at the two incident energies. At 1052 eV the ejected electrons are preferentially found in the forward direction with respect to the incident beam. At 422 eV they are found in the forward and backward directions with approximately equal probability. The 422-eV cross sections are largest when the incident-electron and ejected-electron momentum vectors lie in a common plane. The observations are discussed in the context of several models for double ionization. {copyright} {ital 1998} {ital The American Physical Society}

  3. Measurement of the 1s2s 1S0-1s2p 3P1 intercombination interval in helium-like silicon.

    PubMed

    Redshaw, M; Myers, E G

    2002-01-14

    Using Doppler-tuned fast-beam laser spectroscopy the 1s2s 1S0-1s2p 3P1 intercombination interval in 28Si12+ has been measured to be 7230.5(2) cm(-1). The experiment made use of a single-frequency Nd:YAG (1.319 microm) laser and a high-finesse optical buildup cavity. The result provides a precision test of modern relativistic and QED atomic theory.

  4. A comparative study of highly-ionized Al plasma based on dual pulse laser-induced breakdown spectroscopy

    NASA Astrophysics Data System (ADS)

    Khalil, A. A. I.; Younis, W. O.; Gandol, M. A.

    2016-10-01

    We built a collinear dual-pulse laser-induced breakdown spectroscopy (DP-LIBS) system to study the aluminum (Al) plasma emission by installing a pair of Nd: YAG lasers operating at 266 and 1064 nm. The spectral intensities of selected aluminum doubly-ionized lines were employed to evaluate the optical emission spectra. The influences of the energy ratio of two pulsed lasers on the LIBS intensity for different Al doubly-ionized spectral lines were investigated. The de-excitation rate parameters of the excited ion and the electron impact excitation were computed using the analytical formulas proposed by Smeets and Vriens. The transition probabilities and energy states were computed using Hibbert's configuration interaction, computer package (CIV3). By solving the coupled rate equations including 1s 22s 22p 6ns (2S), 1s 22s 22p 6np (2P), 1s 22s 22p 6nd (2D) (n = 3-5) and 1s 22s 22p 6nf (2F) (n = 4, 5) states, the level population densities were computed. We also proposed a theoretical population model in order to investigate the effectiveness of the various processes that might affect the population of the upper levels in Al plasma by using the rate coefficients. In addition, the population densities for the 19 upper levels were also computed. Good compatibility between the experimental and the theoretical model data had been observed. Our results might be significant as reference data for the optimization of the DP-LIBS spectrometry and diagnostics of laser produced plasmas.

  5. A comparative study of highly-ionized Al plasma based on dual pulse laser-induced breakdown spectroscopy

    NASA Astrophysics Data System (ADS)

    Khalil, A. A. I.; Younis, W. O.; Gandol, M. A.

    2017-03-01

    We built a collinear dual-pulse laser-induced breakdown spectroscopy (DP-LIBS) system to study the aluminum (Al) plasma emission by installing a pair of Nd: YAG lasers operating at 266 and 1064 nm. The spectral intensities of selected aluminum doubly-ionized lines were employed to evaluate the optical emission spectra. The influences of the energy ratio of two pulsed lasers on the LIBS intensity for different Al doubly-ionized spectral lines were investigated. The de-excitation rate parameters of the excited ion and the electron impact excitation were computed using the analytical formulas proposed by Smeets and Vriens. The transition probabilities and energy states were computed using Hibbert's configuration interaction, computer package (CIV3). By solving the coupled rate equations including 1 s 22 s 22 p 6n s (2S), 1 s 22 s 22 p 6n p (2P), 1 s 22 s 22 p 6n d (2D) (n = 3-5) and 1 s 22 s 22 p 6n f (2F) (n = 4, 5) states, the level population densities were computed. We also proposed a theoretical population model in order to investigate the effectiveness of the various processes that might affect the population of the upper levels in Al plasma by using the rate coefficients. In addition, the population densities for the 19 upper levels were also computed. Good compatibility between the experimental and the theoretical model data had been observed. Our results might be significant as reference data for the optimization of the DP-LIBS spectrometry and diagnostics of laser produced plasmas.

  6. Distinct roles of Ape1 protein, an enzyme involved in DNA repair, in high or low linear energy transfer ionizing radiation-induced cell killing.

    PubMed

    Wang, Hongyan; Wang, Xiang; Chen, Guangnan; Zhang, Xiangming; Tang, Xiaobing; Park, Dongkyoo; Cucinotta, Francis A; Yu, David S; Deng, Xingming; Dynan, William S; Doetsch, Paul W; Wang, Ya

    2014-10-31

    High linear energy transfer (LET) radiation from space heavy charged particles or a heavier ion radiotherapy machine kills more cells than low LET radiation, mainly because high LET radiation-induced DNA damage is more difficult to repair. Relative biological effectiveness (RBE) is the ratio of the effects generated by high LET radiation to low LET radiation. Previously, our group and others demonstrated that the cell-killing RBE is involved in the interference of high LET radiation with non-homologous end joining but not homologous recombination repair. This effect is attributable, in part, to the small DNA fragments (≤40 bp) directly produced by high LET radiation, the size of which prevents Ku protein from efficiently binding to the two ends of one fragment at the same time, thereby reducing non-homologous end joining efficiency. Here we demonstrate that Ape1, an enzyme required for processing apurinic/apyrimidinic (known as abasic) sites, is also involved in the generation of small DNA fragments during the repair of high LET radiation-induced base damage, which contributes to the higher RBE of high LET radiation-induced cell killing. This discovery opens a new direction to develop approaches for either protecting astronauts from exposure to space radiation or benefiting cancer patients by sensitizing tumor cells to high LET radiotherapy.

  7. Comparison of laser-induced dissociation and high-energy collision-induced dissociation using matrix-assisted laser desorption/ionization tandem time-of-flight (MALDI-TOF/TOF) for peptide and protein identification.

    PubMed

    Macht, Marcus; Asperger, Arndt; Deininger, Sören-Oliver

    2004-01-01

    The fragmentation of peptides under laser-induced dissociation (LID) as well as high-energy collision-induced dissociation (CID) conditions has been investigated. The effect of the different fragmentation mechanisms on the formation of specific fragment ion types and the usability of the resulting spectra, e.g. for high-throughput protein identification, has been evaluated. Also, basic investigations on the influence of the matrix, as well as laser fluence, on the fragment ion formation and the consequences in the spectral appearance are discussed. The preconditions for obtaining 'pure' CID spectra on matrix-assisted laser desorption/ionization tandem time-of-flight (MALDI-TOF/TOF) instruments are evaluated and discussed as well as the differences between LID and CID in the resulting fragment ion types. While containing a wealth of information due to additional fragment ions in comparison with LID, CID spectra are significantly more complex than LID spectra and, due to different fragmentation patterns, the CID spectra are of limited use for protein identification, even under optimized parameter settings, due to significantly lower scores for the individual spectra. Conditions for optimal results regarding protein identification using MALDI-TOF/TOF instruments have been evaluated. For database searches using tandem mass spectrometric data, the use of LID as fragmentation technique in combination with parameter settings supporting the use of internal fragment ions turned out to yield the optimal results.

  8. Calculation of ionization energy, electron affinity, and hydride affinity trends in pincer-ligated d(8)-Ir((tBu4)PXCXP) complexes: implications for the thermodynamics of oxidative H2 addition.

    PubMed

    Baroudi, Abdulkader; El-Hellani, Ahmad; Bengali, Ashfaq A; Goldman, Alan S; Hasanayn, Faraj

    2014-12-01

    DFT methods are used to calculate the ionization energy (IE) and electron affinity (EA) trends in a series of pincer ligated d(8)-Ir((tBu4)PXCXP) complexes (1-X), where C is a 2,6-disubstituted phenyl ring with X = O, NH, CH2, BH, S, PH, SiH2, and GeH2. Both C2v and C2 geometries are considered. Two distinct σ-type ((2)A1 or (2)A) and π-type ((2)B1 or (2)B) electronic states are calculated for each of the free radical cation and anion. The results exhibit complex trends, but can be satisfactorily accounted for by invoking a combination of electronegativity and specific π-orbital effects. The calculations are also used to study the effects of varying X on the thermodynamics of oxidative H2 addition to 1-X. Two closed shell singlet states differentiated in the C2 point group by the d(6)-electon configuration are investigated for the five-coordinate Ir(III) dihydride product. One electronic state has a d(6)-(a)(2)(b)(2)(b)(2) configuration and a square pyramidal geometry, the other a d(6)-(a)(2)(b)(2)(a)(2) configuration with a distorted-Y trigonal bipyramidal geometry. No simple correlations are found between the computed reaction energies of H2 addition and either the IEs or EAs. To better understand the origin of the computed trends, the thermodynamics of H2 addition are analyzed using a cycle of hydride and proton addition steps. The analysis highlights the importance of the electron and hydride affinities, which are not commonly used in rationalizing trends of oxidative addition reactions. Thus, different complexes such as 1-O and 1-CH2 can have very similar reaction energies for H2 addition arising from opposing hydride and proton affinity effects. Additional calculations on methane C-H bond addition to 1-X afford reaction and activation energy trends that correlate with the reaction energies of H2 addition leading to the Y-product.

  9. Double-core ionization and excitation above the sulphur K-edge in ?, ? and ?

    NASA Astrophysics Data System (ADS)

    Reynaud, Cécile; Gaveau, Marc-André; Bisson, Kristel; Millié, Philippe; Nenner, Irène; Bodeur, Suzanne; Archirel, Pierre; Lévy, Bernard

    1996-11-01

    Experimental and theoretical results are reported on double-core excitation and ionization processes in some sulphur containing molecules. X-ray absorption spectra have been recorded at the sulphur K-edge using synchrotron radiation delivered by the DCI ring at LURE (Orsay, France). Absolute x-ray absorption cross sections have been determined for gas phase 0953-4075/29/22/017/img12, 0953-4075/29/22/017/img13 and 0953-4075/29/22/017/img14 molecules in the 2400 - 2800 eV region. Several narrow features are observed far from the edge and assigned to 0953-4075/29/22/017/img15 double-core excited states. Two series of states are present corresponding to the triplet and singlet configurations, due to the core 1s - 2p exchange term. The energy, width and intensity of the features are strongly molecule dependent. In the case of 0953-4075/29/22/017/img12, a theoretical determination of all the single- and double-core vacancy ionization potentials has been performed using a new theoretical approach which makes it possible to solve the convergence problem inherent in a simple SCF calculation. Results compare favourably with available experimental values. In particular, the singlet - triplet separation is correctly predicted for all the double-core ionized states. The relation between the double-core relaxation energies and the associated single-core relaxation values is discussed. Finally, the double-core excited state energies are determined within a Z + 2 core equivalent model, allowing a full assignment of the 0953-4075/29/22/017/img15 experimental spectra of 0953-4075/29/22/017/img12.

  10. The thermodynamical instability induced by pressure ionization in fluid helium

    NASA Astrophysics Data System (ADS)

    Li, Qiong; Liu, Hai-Feng; Zhang, Gong-Mu; Zhao, Yan-Hong; Lu, Guo; Tian, Ming-Feng; Song, Hai-Feng

    2016-11-01

    A systematic study of pressure ionization is carried out in the chemical picture by the example of fluid helium. By comparing the variants of the chemical model, it is demonstrated that the behavior of pressure ionization depends on the construction of the free energy function. In the chemical model with the Coulomb free energy described by the Padé interpolation formula, thermodynamical instability induced by pressure ionization is found to be manifested by a discontinuous drop or a continuous fall and rise along the pressure-density curve as well as the pressure-temperature curve, which is very much like the first order liquid-liquid phase transition of fluid hydrogen from the first principles simulations. In contrast, in the variant chemical model with the Coulomb free energy term empirically weakened, no thermodynamical instability is induced when pressure ionization occurs, and the resulting equation of state achieves a good agreement with the first principles simulations of fluid helium.

  11. Electrospray Ionization Mass Spectrometry

    SciTech Connect

    Kelly, Ryan T.; Marginean, Ioan; Tang, Keqi

    2014-06-13

    Electrospray Ionization (ESI) is a process whereby gas phase ions are created from molecules in solution. As a solution exits a narrow tube in the presence of a strong electric field, an aerosol of charged droplets are is formed that produces gas phase ions as they it desolvates. ESI-MS comprises the creation of ions by ESI and the determination of their mass to charge ratio (m/z) by MS.

  12. Hysteresis of ionization waves

    SciTech Connect

    Dinklage, A.; Bruhn, B.; Testrich, H.; Wilke, C.

    2008-06-15

    A quasi-logistic, nonlinear model for ionization wave modes is introduced. Modes are due to finite size of the discharge and current feedback. The model consists of competing coupled modes and it incorporates spatial wave amplitude saturation. The hysteresis of wave mode transitions under current variation is reproduced. Sidebands are predicted by the model and found in experimental data. The ad hoc model is equivalent to a general--so-called universal--approach from bifurcation theory.

  13. Electron-Impact Dissociative Ionization Of Ethylene (Postprint)

    DTIC Science & Technology

    2006-02-01

    seen in Fig. 5 , where the discrepancy between em- pirical calculation and the experiment is more profound, FIG. 2 . Partial ionization cross section...not display a currently valid OMB control number. PLEASE DO NOT RETURN YOUR FORM TO THE ABOVE ADDRESS. 1. REPORT DATE (DD-MM-YY) 2 . REPORT TYPE 3...ANSI Std. Z39-18 Electron-impact dissociative ionization of ethylene S. Popović,1,* S. Williams, 2 ,† and L. Vušković1,‡ 1Department of Physics, Old

  14. Laboratory Photo-chemistry of PAHs: Ionization versus Fragmentation

    NASA Astrophysics Data System (ADS)

    Zhen, Junfeng; Castellanos, Pablo; Paardekooper, Daniel M.; Ligterink, Niels; Linnartz, Harold; Nahon, Laurent; Joblin, Christine; Tielens, Alexander G. G. M.

    2015-05-01

    Interstellar polycyclic aromatic hydrocarbons (PAHs) are expected to be strongly processed by vacuum ultraviolet photons. Here, we report experimental studies on the ionization and fragmentation of coronene (C24H12), ovalene (C32H14) and hexa-peri-hexabenzocoronene (HBC; C42H18) cations by exposure to synchrotron radiation in the range of 8-40 eV. The results show that for small PAH cations such as coronene, fragmentation (H-loss) is more important than ionization. However, as the size increases, ionization becomes more and more important and for the HBC cation, ionization dominates. These results are discussed and it is concluded that, for large PAHs, fragmentation only becomes important when the photon energy has reached the highest ionization potential accessible. This implies that PAHs are even more photo-stable than previously thought. The implications of this experimental study for the photo-chemical evolution of PAHs in the interstellar medium are briefly discussed.

  15. Stochastic processes in muon ionization cooling

    NASA Astrophysics Data System (ADS)

    Errede, D.; Makino, K.; Berz, M.; Johnstone, C. J.; Van Ginneken, A.

    2004-02-01

    A muon ionization cooling channel consists of three major components: the magnet optics, an acceleration cavity, and an energy absorber. The absorber of liquid hydrogen contained by thin aluminum windows is the only component which introduces stochastic processes into the otherwise deterministic acceleration system. The scattering dynamics of the transverse coordinates is described by Gaussian distributions. The asymmetric energy loss function is represented by the Vavilov distribution characterized by the minimum number of collisions necessary for a particle undergoing loss of the energy distribution average resulting from the Bethe-Bloch formula. Examples of the interplay between stochastic processes and deterministic beam dynamics are given.

  16. The elusive S2 state, the S1/S2 splitting, and the excimer states of the benzene dimer.

    PubMed

    Balmer, Franziska A; Trachsel, Maria A; van der Avoird, Ad; Leutwyler, Samuel

    2015-06-21

    We observe the weak S0 → S2 transitions of the T-shaped benzene dimers (Bz)2 and (Bz-d6)2 about 250 cm(-1) and 220 cm(-1) above their respective S0 → S1 electronic origins using two-color resonant two-photon ionization spectroscopy. Spin-component scaled (SCS) second-order approximate coupled-cluster (CC2) calculations predict that for the tipped T-shaped geometry, the S0 → S2 electronic oscillator strength fel(S2) is ∼10 times smaller than fel(S1) and the S2 state lies ∼240 cm(-1) above S1, in excellent agreement with experiment. The S0 → S1 (ππ(∗)) transition is mainly localized on the "stem" benzene, with a minor stem → cap charge-transfer contribution; the S0 → S2 transition is mainly localized on the "cap" benzene. The orbitals, electronic oscillator strengths fel(S1) and fel(S2), and transition frequencies depend strongly on the tipping angle ω between the two Bz moieties. The SCS-CC2 calculated S1 and S2 excitation energies at different T-shaped, stacked-parallel and parallel-displaced stationary points of the (Bz)2 ground-state surface allow to construct approximate S1 and S2 potential energy surfaces and reveal their relation to the "excimer" states at the stacked-parallel geometry. The fel(S1) and fel(S2) transition dipole moments at the C2v-symmetric T-shape, parallel-displaced and stacked-parallel geometries are either zero or ∼10 times smaller than at the tipped T-shaped geometry. This unusual property of the S0 → S1 and S0 → S2 transition-dipole moment surfaces of (Bz)2 restricts its observation by electronic spectroscopy to the tipped and tilted T-shaped geometries; the other ground-state geometries are impossible or extremely difficult to observe. The S0 → S1/S2 spectra of (Bz)2 are compared to those of imidazole ⋅ (Bz)2, which has a rigid triangular structure with a tilted (Bz)2 subunit. The S0 → S1/ S2 transitions of imidazole-(benzene)2 lie at similar energies as those of (Bz)2, confirming our assignment of the

  17. Evidence for impact ionization in vanadium dioxide

    SciTech Connect

    Holleman, Joshua; Bishop, Michael M.; Garcia, Carlos; Vellore Winfred, J. S. R.; Lee, Shinbuhm; Lee, Ho Nyung; Beekman, Christianne; Manousakis, Efstratios; McGill, Stephen A.

    2016-10-17

    Pump-probe optical spectroscopy was used to investigate charge carrier multiplication via impact ionization in the M1 insulating phase of VO2. By comparing the transient reflectivities of the film when pumped at less than and then more than twice the band-gap energy, we observed an enhancement of the ultrafast response with the higher energy pump color while the film was still transiently in the insulating phase. We additionally identified multiple timescales within the charge dynamics and analyzed how these changed when the pump and probe wavelengths were varied. This experiment provided evidence that impact ionization acts efficiently as a carrier multiplication process in this prototypical strongly-correlated insulator.

  18. Evidence for impact ionization in vanadium dioxide

    DOE PAGES

    Holleman, Joshua; Bishop, Michael M.; Garcia, Carlos; ...

    2016-10-17

    Pump-probe optical spectroscopy was used to investigate charge carrier multiplication via impact ionization in the M1 insulating phase of VO2. By comparing the transient reflectivities of the film when pumped at less than and then more than twice the band-gap energy, we observed an enhancement of the ultrafast response with the higher energy pump color while the film was still transiently in the insulating phase. We additionally identified multiple timescales within the charge dynamics and analyzed how these changed when the pump and probe wavelengths were varied. This experiment provided evidence that impact ionization acts efficiently as a carrier multiplicationmore » process in this prototypical strongly-correlated insulator.« less

  19. Desorption/ionization on silicon nanowires.

    PubMed

    Go, E P; Apon, J V; Luo, G; Saghatelian, A; Daniels, R H; Sahi, V; Dubrow, R; Cravatt, B F; Vertes, A; Siuzdak, G

    2005-03-15

    Dense arrays of single-crystal silicon nanowires (SiNWs) have been used as a platform for laser desorption/ionization mass spectrometry of small molecules, peptides, protein digests, and endogenous and xenobiotic metabolites in biofluids. Sensitivity down to the attomole level has been achieved on the nanowire surfaces by optimizing laser energy, surface chemistry, nanowire diameter, length, and growth orientation. An interesting feature of the nanowire surface is that it requires lower laser energy as compared to porous silicon and MALDI to desorb/ionize small molecules, therefore reducing background ion interference. Taking advantage of their high surface area and fluid wicking capabilities, SiNWs were used to perform chromatographic separation followed by mass analysis of the separated molecules providing a unique platform that can integrate separation and mass spectrometric detection on a single surface.

  20. The temperature dependence of luminescence from a long-lasting phosphor exposed to ionizing radiation

    NASA Astrophysics Data System (ADS)

    Kowatari, Munehiko; Koyama, Daisuke; Satoh, Yoshiyuki; Iinuma, Kouichi; Uchida, Shunsuke

    2002-03-01

    The temperature dependence of luminescence from a long-lasting phosphor (LLP), SrAl 2O 4 : Eu 2+,Dy 3+, exposed to ionizing radiation has been measured to understand the LLP luminescence mechanism. Evaluation of the decay constants of the LLP exposed to α-, β- or γ-rays at temperatures from 200 to 390 K showed that the decay constant is divided into four components ranging from 10 -4 to 10 -1 s -1 with activation energies of 0.02-0.35 eV. Total luminous intensity from the LLP with changing irradiation temperature has its maximum value around the room temperature. Irradiation at elevated temperature (390 K) has the total luminescence pattern with monotonous decrease as temperature rises. As a result of evaluating the temperature dependence of luminescence, the luminescence mechanism is considered as follows:

  1. Dissociative Ionization of Benzene by Electron Impact

    NASA Technical Reports Server (NTRS)

    Huo, Winifred; Dateo, Christopher; Kwak, Dochan (Technical Monitor)

    2002-01-01

    We report a theoretical study of the dissociative ionization (DI) of benzene from the low-lying ionization channels. Our approach makes use of the fact that electron motion is much faster than nuclear motion and DI is treated as a two-step process. The first step is electron-impact ionization resulting in an ion with the same nuclear geometry as the neutral molecule. In the second step the nuclei relax from the initial geometry and undergo unimolecular dissociation. For the ionization process we use the improved binary-encounter dipole (iBED) model. For the unimolecular dissociation step, we study the steepest descent reaction path to the minimum of the ion potential energy surface. The path is used to analyze the probability of unimolecular dissociation and to determine the product distributions. Our analysis of the dissociation products and the thresholds of the productions are compared with the result dissociative photoionization measurements of Feng et al. The partial oscillator strengths from Feng et al. are then used in the iBED cross section calculations.

  2. The MICE Demonstration of Muon Ionization Cooling

    SciTech Connect

    Lagrange, Jean-Baptiste; Hunt, Christopher; Palladino, Vittorio; Pasternak, Jaroslaw

    2016-06-01

    Muon beams of low emittance provide the basis for the intense, well-characterised neutrino beams necessary to elucidate the physics of flavour at the Neutrino Factory and to provide lepton-antilepton collisions up to several TeV at the Muon Collider. The international Muon Ionization Cooling Experiment (MICE) will demonstrate muon ionization cooling, the technique proposed to reduce the phase-space volume occupied by the muon beam at such facilities. In an ionization-cooling channel, the muon beam traverses a material (the absorber) loosing energy, which is replaced using RF cavities. The combined effect is to reduce the transverse emittance of the beam (transverse cooling). The configuration of MICE required to deliver the demonstration of ionization cooling is being prepared in parallel to the execution of a programme designed to measure the cooling properties of liquid-hydrogen and lithium hydride. The design of the cooling-demonstration experiment will be presented together with a summary of the performance of each of its components and the cooling performance of the experiment.

  3. Satellite lines at the ionization threshold in charge transfer systems

    NASA Astrophysics Data System (ADS)

    Wardermann, W.; von Niessen, W.

    1992-01-01

    This article deals with the possibility of low-energy ionizations of reduced intensity for larger organic molecules. Possible mechanisms which may lead to this phenomenon are outlined and the necessary structural features are discussed. The lowest ionization energies of some organic unsaturated nitro and nitroso compounds are calculated by the ADC(3) ab initio many-body Green's function method. The π-electron system consists either of fused five- and six-membered rings or of two fused five-membered rings with a variable number of heteroatoms. Some of the molecules contain exocylic double bonds and some are substituted with the donor groups -NH 2, -OH and -NHOH. The strongest many-body effects are found for the nitroso compounds, where in one case the spectral line at the ionization threshold has lost more than 40% of its intensity to satellites. We study the many-body effects at or close to the ionization threshold for these compounds. A particular mechanism which involves the screening of localized valence holes by charge transfer excitations appears to be capable of influencing the profile and intensities of the ionization spectrum already at the ionization threshold. The effect leads to strongly reduced relative intensities of the bands and may cause the appearance of satellite bands nearly at the ionization threshold. The spectral changes in the outermost valence region are discussed by using a simple model calculation in terms of ground-state electronic properties of the molecules.

  4. Exploration of the Dissociative Recombination following DNA ionization to DNA+ due to ionizing radiation

    NASA Astrophysics Data System (ADS)

    Strom, Richard A.; Zimmerly, Andrew T.; Andrianarijaona, Vola M.

    2014-05-01

    It is known that ionizing radiation generates low-energy secondary electrons, which may interact with the surrounding area, including biomolecules, such as triggering DNA single strand and double strand breaks as demonstrated by Sanche and coworkers (Radiat. Res. 157, 227(2002)). The bio-effects of low-energy electrons are currently a topic of high interest. Most of the studies are dedicated to dissociative electron attachments; however, the area is still mostly unexplored and still not well understood. We are computationally investigating the effect of ionizing radiation on DNA, such as its ionization to DNA+. More specifically, we are exploring the possibility of the dissociative recombination of the temporary DNA+ with one of the low-energy secondary electrons, produced by the ionizing radiation, to be another process of DNA strand breaks. Our preliminary results, which are performed with the binaries of ORCA, will be presented. Authors wish to give special thanks to Pacific Union College Student Senate in Angwin, California, for their financial support.

  5. Energy.

    ERIC Educational Resources Information Center

    Online-Offline, 1998

    1998-01-01

    This issue focuses on the theme of "Energy," and describes several educational resources (Web sites, CD-ROMs and software, videos, books, activities, and other resources). Sidebars offer features on alternative energy, animal energy, internal combustion engines, and energy from food. Subthemes include harnessing energy, human energy, and…

  6. Calcium: total or ionized?

    PubMed

    Schenck, Patricia A; Chew, Dennis J

    2008-05-01

    Measurement of serum total calcium (tCa) has been relied on for assessment of calcium status, despite the fact that it is the ionized calcium (iCa) fraction that has biologic activity. Serum tCa does not accurately predict iCa status in many clinical conditions. For accurate assessment of iCa status, iCa should be directly measured. Anaerobic measurement of serum iCa under controlled conditions provides the most reliable assessment of calcium status; aerobic measurement of iCa with species-specific pH correction is highly correlated with anaerobic measurements.

  7. Laser stripping of hydrogen atoms by direct ionization

    DOE PAGES

    Brunetti, E.; Becker, W.; Bryant, H. C.; ...

    2015-05-08

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

  8. Impact-Ionization Cooling in Laser-Induced Plasma Filaments

    SciTech Connect

    Filin, A.; Romanov, D. A.; Compton, R.; Levis, R. J.

    2009-04-17

    The ionization rates and subsequent electron dynamics for laser-induced plasma channels are measured for the noble gas series He, Ne, Ar, Kr, and Xe at 1.0 atm. The cw fluorescence emission increases superlinearly in the series from He to Xe in agreement with Ammosov-Delone-Krainov tunnel ionization calculations. The electron temperature after laser-induced plasma formation, measured by four-wave mixing, evolves from >20 eV to <1 eV kinetic energies with time constants ranging from 1 ns for He to 100 ps for Xe in agreement with an impact-ionization cooling model.

  9. Above-threshold ionization by chirped laser pulses

    SciTech Connect

    Nakajima, Takashi

    2007-05-15

    We theoretically investigate above-threshold ionization by chirped laser pulses. By comparing the photoelectron energy spectra and the photoelectron angular distributions of Na for the laser pulses with different chirp rates but with the identical spectral profile, we find that the ionization processes have a clear dependence on the chirp rate. Further calculations without excited bound states during the time propagation of the wave function reveal practically no chirp dependence, which is clear evidence that the origin of the chirp dependence in above-threshold ionization is the excited bound states.

  10. Cosmic-ray electron injection from the ionization of nuclei.

    PubMed

    Morlino, Giovanni

    2009-09-18

    We show that the secondary electrons ejected from the ionization of heavy ions can be injected into the acceleration process that occurs at supernova remnant shocks. This electron injection mechanism works since ions are ionized during the acceleration when they move already with relativistic speed, just like ejected electrons do. Using the abundances of heavy nuclei measured in cosmic rays measured at the Earth, we estimate the electron/proton ratio at the source to be approximately 10;{-4}, big enough to account for the nonthermal synchrotron emission observed in young supernova remnants. We also show that the ionization process can limit the maximum energy that heavy ions can reach.

  11. Mass analyzed threshold ionization spectroscopy of p-fluorostyrene

    NASA Astrophysics Data System (ADS)

    Georgiev, S.; Neusser, H. J.; Chakraborty, Tapas

    2004-05-01

    Adiabatic ionization energy (AIE) and two-color threshold ion vibrational spectra of p-fluorostyrene have been measured by mass analyzed threshold ionization (MATI) method via three different intermediate levels in the first excited state, vibrationless S1 origin, 421411, and 231 vibronic levels. Features of the ion vibrational spectra indicates that the geometry of the molecular ion including the conformation of the vinyl chain in the ionic ground state (D0) is almost identical to that of its neutral ground state (S0), and ionization has very little effect on the vibrational potentials of the aromatic ring modes. Comparison of the AIE with the reported value of styrene shows that fluorination at the para position of the aromatic ring has little effect on energy of the electron ejected in ionization process from the styrene chromophore.

  12. Measurement of the 1S-2S Frequency in Atomic Hydrogen

    NASA Astrophysics Data System (ADS)

    Hildum, Edward Ames

    A first precise measurement of the 1S-2S energy interval in atomic hydrogen has been obtained by observing the 1S-2S transition in an atomic beam by pulsed Doppler -free two-photon spectroscopy and using an interferometrically calibrated line of ('130)Te(,2) at 486 nm as the reference. The measured 1S-2S frequency is 2 466 061 395.6(4.9) MHz. With the calculated 1S Lamb shift, the 1S-2S frequency yields a value for the Rydberg constant, R(,(INFIN)) = 109 737.314 92(22) cm('-1), which is not in good agreement with the most recent previously measured value, 109 737.315 44(11) cm('-1), obtained by S. R. Amin et al.('16) It is, however, in good agreement with a previous Rydberg value, 109 737.315 04(32) cm('-1), measured by J. E. M. Goldsmith('17). If the Rydberg constant is taken as given, the 1S-2S frequency determines a value for the 1S Lamb shift. With Amin's Rydberg, the measured Lamb shift is 8161.0(5.4) MHz, in poor agreement with the theoretical value of 8149.43(8) MHz. With Goldsmith's Rydberg, the measured Lamb shift is 8151.0(8.7) MHz, in good agreement with theory.

  13. Avalanche multiplication and impact ionization in amorphous selenium photoconductive target

    NASA Astrophysics Data System (ADS)

    Park, Wug-Dong; Tanioka, Kenkichi

    2014-03-01

    The avalanche multiplication factor and the hole ionization coefficient in the amorphous selenium (a-Se) high-gain avalanche rushing amorphous photoconductor (HARP) target depend on the electric field. The phenomenon of avalanche multiplication and impact ionization in the 0.4-µm-thick a-Se HARP target is investigated. The hot carrier energy in the 0.4-µm-thick a-Se HARP target increases linearly as the target voltage increases. The energy relaxation length of hot carriers in the a-Se photoconductor of the 0.4-µm-thick HARP target saturates as the electric field increases. The average energy Eav of a hot carrier and the energy relaxation length λE in the a-Se photoconductor of the 0.4-µm-thick HARP target at 1 × 108 V/m were 0.25 eV and 2.5 nm, respectively. In addition, the hole ionization coefficient β and the avalanche multiplication factor M are derived as a function of the electric field, the average energy of a hot carrier, and the impact ionization energy. The experimental hole ionization coefficient β and the avalanche multiplication factor M in the 0.4-µm-thick a-Se HARP target agree with the theoretical results.

  14. Lepton Universality Test in Upsilon(1S) Decays at BaBar

    SciTech Connect

    Guido, Elisa; /Genoa U. /INFN, Genoa

    2012-04-10

    Using a sample of 122 million {Upsilon}(3S) decays collected with the BABAR detector at the PEP-II asymmetric energy collider at the SLAC National Accelerator Laboratory, we measure the ratio R{sub {tau}{mu}} = BR({Upsilon}(1S) {yields} {tau}{sup +}{tau}{sup -})/BR({Upsilon}(1S) {yields} {mu}{sup +}{mu}{sup -}); the measurement is intended as a test of lepton universality and as a possible search for a light pseudoscalar Higgs boson in Next to Minimal Supersymmetric Standard Model (NMSSM) scenarios. Such a boson could appear in a deviation of the ratio R{sub {tau}{mu}} from the Standard Model expectation, that is 1, except for small lepton mass corrections. The analysis exploits the decays {Upsilon}(3S) {yields} {Upsilon}(1S){pi}{sup +}{pi}{sup -}, {Upsilon}(1S) {yields} l{sup +}l{sup -}, where l = {mu},{tau}.

  15. Prediction and identification of multiple-photon resonant ionization processes

    SciTech Connect

    Smith, D.H.; McKown, H.S.; Young, J.P.; Shaw, R.W.; Donohue, D.L.

    1988-08-01

    Many single-color, multiple-photon transitions leading to ionization are observed for lanthanide and actinide elements in experiments using resonance ionization mass spectrometry (RIMS). It is desirable both to identify the energy levels involved in observed transitions and to be able to predict in advance their location. A computer code, ETRANS, has been written to perform these functions. Examples of both types of operation are given.

  16. Calculation of electron-impact ionization of potassium

    NASA Astrophysics Data System (ADS)

    Bray, I.; Fursa, D. V.; Stelbovics, A. T.

    2009-11-01

    We calculate electron-impact ionization of potassium at a broad range of energies for the case where it is the valence electron that is ejected. The convergent close-coupling method is used to calculate the total and fully differential cross sections. The unusual shape of the total ionization spin asymmetries measured by Baum et al. [1] is explained. However, agreement with the fully differential cross section measurements of Murray [2] is somewhat mixed.

  17. H2 in low-ionization structures of planetary nebulae

    NASA Astrophysics Data System (ADS)

    Akras, Stavros; Gonçalves, Denise R.; Ramos-Larios, Gerardo

    2017-02-01

    We report the detection of near-IR H2 emission from the low-ionization structures (knots) in two planetary nebulae. The deepest ever high-angular-resolution H2 (1-0) S(1) at 2.122 μm, H2 (2-1) S(1) at 2.248 μm and Brγ images of K 4-47 and NGC 7662, obtained using the Near InfraRed Imager and Spectrometer (NIRI) at Gemini-North, are analysed here. K 4-47 reveals a remarkable highly collimated bipolar structure not only in the optical but also in the molecular hydrogen emission. The H2 emission emanates from the walls of the bipolar outflows and also from the pair of knots at the tip of the outflows. The H2 (1-0) S(1)/(2-1) S(1) line ratio ranges from ∼7 to ∼10, suggesting the presence of shock interactions. Our findings can be explained by the interaction of a jet/bullet ejected from the central star with the surrounding asymptotic giant branch material. The strongest H2 line, (1-0) S(1), is also detected in several low-ionization knots located at the periphery of the elliptical planetary nebula NGC 7662, but only four of these knots are detected in the H2 (2-1) S(1) line. These four knots exhibit an H2 line ratio between 2 and 3.5, which suggests that the emission is caused by the UV ionizing flux of the central star. Our data confirm the presence of H2 gas in both fast- and slow-moving low-ionization knots, which has only been confirmed before in the nearby Helix nebula and Hu 1-2. Overall, the low-ionization structures of planetary nebulae are found to have similar traits to photodissociation regions.

  18. Ionization photophysics and spectroscopy of cyanoacetylene

    SciTech Connect

    Leach, Sydney; Champion, Norbert; Garcia, Gustavo A.; Fray, Nicolas; Gaie-Levrel, François; Mahjoub, Ahmed; Bénilan, Yves; Gazeau, Marie-Claire; Schwell, Martin

    2014-05-07

    Photoionization of cyanoacetylene was studied using synchrotron radiation over the non-dissociative ionization excitation range 11–15.6 eV, with photoelectron-photoion coincidence techniques. The absolute ionization cross-section and spectroscopic aspects of the parent ion were recorded. The adiabatic ionization energy of cyanoacetylene was measured as 11.573 ± 0.010 eV. A detailed analysis of photoelectron spectra of HC{sub 3}N involves new aspects and new assignments of the vibrational components to excitation of the A{sup 2}Σ{sup +} and B{sup 2}Π states of the cation. Some of the structured autoionization features observed in the 11.94 to 15.5 eV region of the total ion yield (TIY) spectrum were assigned to two Rydberg series converging to the B{sup 2}Π state of HC{sub 3}N{sup +}. A number of the measured TIY features are suggested to be vibrational components of Rydberg series converging to the C{sup 2}Σ{sup +} state of HC{sub 3}N{sup +} at ≈17.6 eV and others to valence shell transitions of cyanoacetylene in the 11.6–15 eV region. The results of quantum chemical calculations of the cation electronic state geometries, vibrational frequencies and energies, as well as of the C–H dissociation potential energy profiles of the ground and electronic excited states of the ion, are compared with experimental observations. Ionization quantum yields are evaluated and discussed and the problem of adequate calibration of photoionization cross-sections is raised.

  19. A Search for Invisible Decays of the Upsilon(1S)

    SciTech Connect

    Aubert, B.; Karyotakis, Y.; Lees, J.P.; Poireau, V.; Prencipe, E.; Prudent, X.; Tisserand, V.; Garra Tico, J.; Grauges, E.; Martinelli, M.; Palano, A.; Pappagallo, M.; Eigen, G.; Stugu, B.; Sun, L.; Battaglia, M.; Brown, D.N.; Hooberman, B.; Kerth, L.T.; Kolomensky, Yu.G.; Lynch, G. /LBL, Berkeley /UC, Berkeley /Birmingham U. /Ruhr U., Bochum /British Columbia U. /Brunel U. /Novosibirsk, IYF /UC, Irvine /UC, Riverside /UC, San Diego /UC, Santa Barbara /UC, Santa Cruz /Caltech /Cincinnati U. /Colorado U. /Colorado State U. /Dortmund U. /Dresden, Tech. U. /Ecole Polytechnique /Edinburgh U. /INFN, Ferrara /Ferrara U. /INFN, Ferrara /INFN, Ferrara /Ferrara U. /INFN, Ferrara /INFN, Ferrara /Ferrara U. /Frascati /INFN, Genoa /Genoa U. /INFN, Genoa /INFN, Genoa /Genoa U. /INFN, Genoa /INFN, Genoa /Genoa U. /Harvard U. /Heidelberg U. /Humboldt U., Berlin /Imperial Coll., London /Iowa U. /Iowa State U. /Johns Hopkins U. /Orsay, LAL /LLNL, Livermore /Liverpool U. /Queen Mary, U. of London /Royal Holloway, U. of London /Louisville U. /Mainz U., Inst. Kernphys. /Manchester U. /Maryland U. /Massachusetts U., Amherst /MIT, LNS /McGill U. /INFN, Milan /Milan U. /INFN, Milan /INFN, Milan /Milan U. /Mississippi U. /Montreal U. /Mt. Holyoke Coll. /INFN, Naples /Naples U. /INFN, Naples /INFN, Naples /Naples U. /NIKHEF, Amsterdam /Notre Dame U. /Ohio State U. /Oregon U. /INFN, Padua /Padua U. /INFN, Padua /INFN, Padua /Padua U. /Paris U., VI-VII /Pennsylvania U. /INFN, Perugia /Perugia U. /INFN, Pisa /Pisa U. /INFN, Pisa /Pisa, Scuola Normale Superiore /INFN, Pisa /Pisa U. /INFN, Pisa /Princeton U. /INFN, Rome /INFN, Rome /Rome U. /INFN, Rome /INFN, Rome /Rome U. /INFN, Rome /INFN, Rome /Rome U. /INFN, Rome /INFN, Rome /Rome U. /INFN, Rome /Rostock U. /Rutherford /DAPNIA, Saclay /SLAC /South Carolina U. /Stanford U., Phys. Dept. /SUNY, Albany /Tel Aviv U. /Tennessee U. /Texas U. /Texas U., Dallas /INFN, Turin /Turin U. /INFN, Trieste /Trieste U. /Valencia U., IFIC /Victoria U. /Warwick U. /Wisconsin U., Madison

    2009-10-17

    We search for invisible decays of the {Upsilon}(1S) meson using a sample of 91.4 x 10{sup 6} {Upsilon}(3S) mesons collected at the BABAR/PEP-II B Factory. We select events containing the decay {Upsilon}(3S) {yields} {pi}{sup +}{pi}{sup -} {Upsilon}(1S) and search for evidence of an undetectable {Upsilon}(1S) decay recoiling against the dipion system. We set an upper limit on the branching fraction {Beta}({Upsilon}(1S) {yields} invisible) < 3.0 x 10{sup ?4} at the 90% confidence level.

  20. Search for invisible decays of the {upsilon}(1S) resonance

    SciTech Connect

    Rubin, P.; Cawlfield, C.; Eisenstein, B. I.; Karliner, I.; Kim, D.; Lowrey, N.; Naik, P.; Selen, M.; White, E. J.; Wiss, J.; Mitchell, R. E.; Shepherd, M. R.; Besson, D.; Pedlar, T. K.; Cronin-Hennessy, D.; Gao, K. Y.; Hietala, J.; Kubota, Y.; Klein, T.; Lang, B. W.

    2007-02-01

    We present a measurement of the branching fraction of invisible {upsilon}(1S) decays, using 1.2 fb{sup -1} of data collected at the {upsilon}(2S) resonance with the CLEO III detector at CESR. After subtracting expected backgrounds from events that pass selection criteria for invisible {upsilon}(1S) decay in {upsilon}(2S){yields}{pi}{sup +}{pi}{sup -}{upsilon}(1S), we deduce a 90% C.L. upper limit of B[{upsilon}(1S){yields}invisible]<0.39%.

  1. Weak- and hyperfine-interaction-induced 1s2s 1S0 → 1s2 1S0 E1 transition rates of He-like ions

    NASA Astrophysics Data System (ADS)

    Laima, Radžiūtė; Erikas, Gaidamauskas; Gediminas, Gaigalas; Li, Ji-Guang; Dong, Chen-Zhong; Jönsson, Per

    2015-04-01

    Weak- and hyperfine-interaction-induced 1s2s 1S0 → 1s2 1S0 E1 transition rates for the isoelectronic sequence of He-like ions have been calculated using the multi-configuration Dirac-Hartree-Fock (MCDHF) and relativistic configuration interaction methods. The results should be helpful for the future experimental investigations of parity non-conservation effects. Project supported by the National Natural Science Foundation of China (Grant Nos. 11274254, 11147108, 10979007, U1331122, and U1332206) and in part by the National Basic Research Program of China (Grant No. 2013CB922200).

  2. 1s22p3 and 1s22s23l, l = s,p,d, excited states of boron isoelectronic series from explicitly correlated wave functions.

    PubMed

    Gálvez, F J; Buendía, E; Sarsa, A

    2005-07-15

    For some members of the boron isoelectronic series and starting from explicitly correlated wave functions, six low-lying excited states have been studied. Three of them arise from the 1s(2)2p(3) configuration, and the other three from the 1s(2)2s(2)3l, l = s,p,d, configurations. This work follows a previous one on both the 1s(2)2s(2)2p-(2)P ground state and the four excited states coming from the 1s(2)2s2p(2) configuration. Energies, one- and two-body densities in position space and some other two-body properties in position and momentum spaces have been obtained. A systematic analysis of the energetic ordering of the states as a function of the total orbital angular momentum and spin is performed in terms of the electron-nucleus and electron-electron potential energies and the role of the angular correlation is discussed. All calculations have been carried out by using the Monte Carlo algorithm.

  3. Rotamers of m-chloroanisole studied by two-color resonant two-photon mass-analyzed threshold ionization spectroscopy

    NASA Astrophysics Data System (ADS)

    Huang, Hsin Chang; Shiung, Kui Shiu; Jin, Bih Yaw; Tzeng, Wen Bih

    2013-11-01

    We apply the resonant two-photon ionization (R2PI) and mass-analyzed threshold ionization (MATI) techniques to record the vibronic and cation spectra of m-chloroanisole. The vibronic features appear in two series, built on 35,822 ± 2 and 35,868 ± 2 cm-1, corresponding to the origins of the S1 ← S0 electronic transition (E1's) of the two rotamers. Analysis of the MATI spectra gives the adiabatic ionization energies (IEs) of 67,645 ± 5 and 68,008 ± 5 cm-1 for these two isomeric species. Comparing these data with those of anisole, we find that the chlorine substitution at the meta position leads to a red shift in the E1 and a blue shift in the IE. The observed R2PI and MATI bands mainly result from the in-plane ring deformation and substituent-sensitive bending vibrations of these species in the electronically excited S1 and cationic ground D0 states.

  4. Positron impact ionization of atomic hydrogen

    SciTech Connect

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

    1993-05-01

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

  5. Ultrafast molecular dynamics of dissociative ionization in OCS probed by soft x-ray synchrotron radiation

    NASA Astrophysics Data System (ADS)

    Ramadhan, Ali; Wales, Benji; Karimi, Reza; Gauthier, Isabelle; MacDonald, Michael; Zuin, Lucia; Sanderson, Joe

    2016-11-01

    Soft x-rays (90-173 eV) from the 3rd generation Canadian Light Source have been used in conjunction with a multi coincidence time and position sensitive detection apparatus to observe the dissociative ionization of OCS. By varying the x-ray energy we can compare dynamics from direct and Auger ionization processes, and access ionization channels which result in two or three body breakup, from 2+ to 4+ ionization states. We make several new observations for the 3+ state such as kinetic energy release limited by photon energy, and using Dalitz plots we can see evidence of timescale effects between the direct and Auger ionization process for the first time. Finally, using Dalitz plots for OCS4+ we observe for the first time that breakup involving an O2+ ion can only proceed from out of equilibrium nuclear arrangement for S(2p) Auger ionization.

  6. Atmospheric-pressure Penning ionization mass spectrometry.

    PubMed

    Hiraoka, Kenzo; Fujimaki, Susumu; Kambara, Shizuka; Furuya, Hiroko; Okazaki, Shigemitsu

    2004-01-01

    A preliminary study on the atmospheric-pressure Penning ionization (APP(e)I) of gaseous organic compounds with Ar* has been made. The metastable argon atoms (Ar*: 11.55 eV for (3)P(2) and 11.72 eV for (3)P(0)) were generated by the negative-mode corona discharge of atmospheric-pressure argon gas. By applying a high positive voltage (+500 to +1000 V) to the stainless steel capillary for the sample introduction (0.1 mm i.d., 0.3 mm o.d.), strong ion signals could be obtained. The ions formed were sampled through an orifice into the vacuum and mass-analyzed by an orthogonal time-of-flight mass spectrometer. The major ions formed by APP(e)I are found to be molecular-related ions for alkanes, aromatics, and oxygen-containing compounds. Because only the molecules with ionization energies less than the internal energy of Ar* are ionized, the present method will be a selective and highly sensitive interface for gas chromatography/mass spectrometry.

  7. Non-Ionizing Radiation From Wireless Technology| RadTown ...

    EPA Pesticide Factsheets

    2016-05-27

    Cellphones and other wireless devices emit radio frequency (RF) energy waves. RF energy is one type of non-ionizing radiation. Government agencies set safety guidelines that limit RF exposure from wireless devices. Scientists continue to study the effects of long-term exposure to low levels of RF.

  8. Upper Hybrid Effects in Artificial Ionization

    NASA Astrophysics Data System (ADS)

    Papadopoulos, K.; Eliasson, B. E.

    2014-12-01

    A most fascinating result of recent ionospheric experiments has been the discovery of artificial ionization by Pedersen et al. (GRL, 37, L02106, 2010). The Artificial Ionospheric Layers (AIL) were the result of F-region O-mode HF irradiation using the HAARP ionospheric heater operating at 3.6 MW power. As demonstrated by Eliasson et al. (JGR, 117, A10321, 2012) the physics controlling the observed phenomenon and its threshold can be summarized as: " Collisional ionization due to high energy (~ 20 eV) electron tails generated by the interaction of strong Langmuir turbulence with plasma heated at the upper hybrid resonance and transported at the reflection height". The objective of the current presentation is to explore the role of the upper hybrid heating in the formation of AIL and its implications to future experiments involving HF heaters operating in middle and equatorial latitudes.

  9. Strong-field ionization of lithium

    SciTech Connect

    Schuricke, Michael; Zhu Ganjun; Steinmann, Jochen; Simeonidis, Konstantinos; Dorn, Alexander; Ullrich, Joachim; Ivanov, Igor; Kheifets, Anatoli; Grum-Grzhimailo, Alexei N.; Bartschat, Klaus

    2011-02-15

    We report photoelectron energy spectra, momentum, and angular distributions for the strong-field single ionization of lithium by 30-fs laser pulses. For peak intensities between 10{sup 11} and 10{sup 14} W/cm{sup 2} at a central wavelength of 785 nm, the classical over-the-barrier intensity was reached well inside the multiphoton regime. The complete vector momenta of the ionization fragments were recorded by a reaction microscope with a magneto-optically trapped target (MOTREMI). On the theoretical side, the time-dependent Schroedinger equation was solved by two independent methods seeking the solution directly on a radial grid. Distinct differences between the results of both calculations and also in comparison with experiment point to a high sensitivity of this reaction with respect to small details, particularly in the description of the Li{sup +} core.

  10. Atmospheric Ionizing Radiation and Human Exposure

    NASA Technical Reports Server (NTRS)

    Wilson, J. W.; Goldhagen, P.; Friedberg, W.; DeAngelis, G.; Clem, J. M.; Copeland, K.; Bidasaria, H. B.

    2004-01-01

    Atmospheric ionizing radiation is of interest, apart from its main concern of aircraft exposures, because it is a principal source of human exposure to radiations with high linear energy transfer (LET). The ionizing radiations of the lower atmosphere near the Earth s surface tend to be dominated by the terrestrial radioisotopes especially along the coastal plain and interior low lands and have only minor contributions from neutrons (11 percent). The world average is substantially larger but the high altitude cities especially have substantial contributions from neutrons (25 to 45 percent). Understanding the world distribution of neutron exposures requires an improved understanding of the latitudinal, longitudinal, altitude and spectral distribution that depends on local terrain and time. These issues are being investigated in a combined experimental and theoretical program. This paper will give an overview of human exposures and describe the development of improved environmental models.

  11. Atmospheric Ionizing Radiation and Human Exposure

    NASA Technical Reports Server (NTRS)

    Wilson, John W.; Mertens, Christopher J.; Goldhagen, Paul; Friedberg, W.; DeAngelis, G.; Clem, J. M.; Copeland, K.; Bidasaria, H. B.

    2005-01-01

    Atmospheric ionizing radiation is of interest, apart from its main concern of aircraft exposures, because it is a principal source of human exposure to radiations with high linear energy transfer (LET). The ionizing radiations of the lower atmosphere near the Earth s surface tend to be dominated by the terrestrial radioisotopes. especially along the coastal plain and interior low lands, and have only minor contributions from neutrons (11 percent). The world average is substantially larger but the high altitude cities especially have substantial contributions from neutrons (25 to 45 percent). Understanding the world distribution of neutron exposures requires an improved understanding of the latitudinal, longitudinal, altitude and spectral distribution that depends on local terrain and time. These issues are being investigated in a combined experimental and theoretical program. This paper will give an overview of human exposures and describe the development of improved environmental models.

  12. Ionizing radiation detector

    DOEpatents

    Thacker, Louis H.

    1990-01-01

    An ionizing radiation detector is provided which is based on the principle of analog electronic integration of radiation sensor currents in the sub-pico to nano ampere range between fixed voltage switching thresholds with automatic voltage reversal each time the appropriate threshold is reached. The thresholds are provided by a first NAND gate Schmitt trigger which is coupled with a second NAND gate Schmitt trigger operating in an alternate switching state from the first gate to turn either a visible or audible indicating device on and off in response to the gate switching rate which is indicative of the level of radiation being sensed. The detector can be configured as a small, personal radiation dosimeter which is simple to operate and responsive over a dynamic range of at least 0.01 to 1000 R/hr.

  13. Multiphoton ionization of Uracil

    NASA Astrophysics Data System (ADS)

    Prieto, Eladio; Martinez, Denhi; Guerrero, Alfonso; Alvarez, Ignacio; Cisneros, Carmen

    2016-05-01

    Multiphoton ionization and dissociation of Uracil using a Reflectron time of flight spectrometer was performed along with radiation from the second harmonic of a Nd:YAG laser. Uracil is one of the four nitrogen bases that belong to RNA. The last years special interest has been concentrated on the study of the effects under UV radiation in nucleic acids1 and also in the role that this molecule could have played in the origin and development of life on our planet.2 The MPI mass spectra show that the presence and intensity of the resulting ions strongly depend on the density power. The identification of the ions in the mass spectra is presented. The results are compared with those obtained in other laboratories under different experimental conditions and some of them show partial agreement.3 The present work was supported by CONACYT-Mexico Grant 165410 and DGAPA UNAM Grant IN101215 and IN102613.

  14. Atom-at-a-time laser resonance ionization spectroscopy of nobelium

    NASA Astrophysics Data System (ADS)

    Laatiaoui, Mustapha; Lauth, Werner; Backe, Hartmut; Block, Michael; Ackermann, Dieter; Cheal, Bradley; Chhetri, Premaditya; Düllmann, Christoph Emanuel; van Duppen, Piet; Even, Julia; Ferrer, Rafael; Giacoppo, Francesca; Götz, Stefan; Heßberger, Fritz Peter; Huyse, Mark; Kaleja, Oliver; Khuyagbaatar, Jadambaa; Kunz, Peter; Lautenschläger, Felix; Mistry, Andrew Kishor; Raeder, Sebastian; Ramirez, Enrique Minaya; Walther, Thomas; Wraith, Calvin; Yakushev, Alexander

    2016-10-01

    Optical spectroscopy of a primordial isotope has traditionally formed the basis for understanding the atomic structure of an element. Such studies have been conducted for most elements and theoretical modelling can be performed to high precision, taking into account relativistic effects that scale approximately as the square of the atomic number. However, for the transfermium elements (those with atomic numbers greater than 100), the atomic structure is experimentally unknown. These radioactive elements are produced in nuclear fusion reactions at rates of only a few atoms per second at most and must be studied immediately following their production, which has so far precluded their optical spectroscopy. Here we report laser resonance ionization spectroscopy of nobelium (No; atomic number 102) in single-atom-at-a-time quantities, in which we identify the ground-state transition 1S0 1P1. By combining this result with data from an observed Rydberg series, we obtain an upper limit for the ionization potential of nobelium. These accurate results from direct laser excitations of outer-shell electrons cannot be achieved using state-of-the-art relativistic many-body calculations that include quantum electrodynamic effects, owing to large uncertainties in the modelled transition energies of the complex systems under consideration. Our work opens the door to high-precision measurements of various atomic and nuclear properties of elements heavier than nobelium, and motivates future theoretical work.

  15. Ionization detection system for aerosols

    DOEpatents

    Jacobs, Martin E.

    1977-01-01

    This invention relates to an improved smoke-detection system of the ionization-chamber type. In the preferred embodiment, the system utilizes a conventional detector head comprising a measuring ionization chamber, a reference ionization chamber, and a normally non-conductive gas triode for discharging when a threshold concentration of airborne particulates is present in the measuring chamber. The improved system utilizes a measuring ionization chamber which is modified to minimize false alarms and reductions in sensitivity resulting from changes in ambient temperature. In the preferred form of the modification, an annular radiation shield is mounted about the usual radiation source provided to effect ionization in the measuring chamber. The shield is supported by a bimetallic strip which flexes in response to changes in ambient temperature, moving the shield relative to the source so as to vary the radiative area of the source in a manner offsetting temperature-induced variations in the sensitivity of the chamber.

  16. Simulation of XPS C1s spectra of organic monolayers by quantum chemical methods.

    PubMed

    Giesbers, Marcel; Marcelis, Antonius T M; Zuilhof, Han

    2013-04-16

    Several simple methods are presented and evaluated to simulate the X-ray photoelectron spectra (XPS) of organic monolayers and polymeric layers by density functional theory (DFT) and second-order Møller-Plesset theory (MP2) in combination with a series of basis sets. The simulated carbon (C1s) XPS spectra as obtained via B3LYP/6-311G(d,p) or M11/6-311G(d,p) calculations are in good agreement (average mean error <0.3 eV) with the experimental spectra, and good estimates of C1s spectra can be obtained via E(C1s)(exp) = 0.9698EC1s(theory) + 20.34 (in eV) (B3LYP/6-311G(d,p)). As a result, the simulated C1s XPS spectra can elucidate the binding energies of the different carbon species within an organic layer and, in this way, greatly aid the assignment of complicated C1s XPS spectra. The paper gives a wide range of examples, including haloalkanes, esters, (thio-)ethers, leaving groups, clickable functionalities, and bioactive moieties.

  17. Vacuum ultraviolet mass-analyzed threshold ionization spectroscopy of methylcyclohexane in the supersonic jet

    NASA Astrophysics Data System (ADS)

    Han, Songhee; Yoo, Hyun Sik; Ahn, Doo-Sik; Choi, Young S.; Kim, Sang Kyu

    2011-12-01

    Vacuum ultraviolet (VUV) mass-analyzed threshold ionization (MATI) spectrum of supersonically cooled methylcyclohexane has been obtained to give the precise adiabatic ionization energy of 9.6958 ± 0.0025 eV for the chair equatorial conformer. Vibrationally resolved MATI spectrum has been analyzed with the aid of density functional theory and Franck-Condon calculations. The MATI spectrum reflects the structural change upon ionization and its origin is discussed by inspecting the shapes of the valence orbitals involved in the ionization process. The spectroscopic implication of the structural interconversion above the certain energy level is discussed with theoretical calculations of molecular structures and energetics.

  18. High-angular-momentum states as population traps in multiphoton ionization

    NASA Astrophysics Data System (ADS)

    de Boer, M. P.; Noordam, L. D.; Muller, H. G.

    1993-01-01

    Resonant and nonresonant multiphoton ionization of xenon is studied using short, circularly polarized light pulses (100 fs, 597 nm, 22 TW/cm2). A pump-probe measurement shows that, although bound states are substantially populated, they do not enhance the ionization signal. The bound states do not ionize because their high angular momentum repels the wave functions from the nucleus. Ionization does occur through intermediate states in the continuum, in spite of a large energy mismatch, because these states have more energy and therefore suffer less from the centrifugal barrier.

  19. Ionization of a multilevel atom by ultrashort laser pulses

    SciTech Connect

    Andreev, A. V.; Stremoukhov, S. Yu.; Shutova, O. A.

    2010-01-15

    Specific features of ionization of single atoms by laser fields of a near-atomic strength are investigated. Calculations are performed for silver atoms interacting with femtosecond laser pulses with wavelengths {lambda} = 800 nm (Ti:Sapphire) and {lambda} = 1.064 {mu}m (Nd:YAG). The dependences of the probability of ionization and of the form of the photoelectron energy spectra on the field of laser pulses for various values of their duration are considered. It is shown that the behavior of the probability of ionization in the range of subatomic laser pulse fields is in good agreement with the Keldysh formula. However, when the field strength attains values close to the atomic field strength, the discrepancies in these dependences manifested in a decrease in the ionization rate (ionization stabilization effect) or in its increase (accelerated ionization) are observed. These discrepancies are associated with the dependence of the population dynamics of excited discrete energy levels of the atom on the laser pulse field amplitude.

  20. Electron induced inelastic and ionization cross section for plasma modeling

    NASA Astrophysics Data System (ADS)

    Verma, Pankaj; Mahato, Dibyendu; Kaur, Jaspreet; Antony, Bobby

    2016-09-01

    The present paper reports electron impact total inelastic and ionization cross section for silicon, germanium, and tin tetrahalides at energies varying from ionization threshold of the target to 5000 eV. These cross section data over a wide energy domain are very essential to understand the physico-chemical processes involved in various environments such as plasma modeling, semiconductor etching, atmospheric sciences, biological sciences, and radiation physics. However, the cross section data on the above mentioned molecules are scarce. In the present article, we report the computation of total inelastic cross section using spherical complex optical potential formalism and the estimation of ionization cross section through a semi-empirical method. The present ionization cross section result obtained for SiCl4 shows excellent agreement with previous measurements, while other molecules have not yet been investigated experimentally. Present results show more consistent behaviour than previous theoretical estimates. Besides cross sections, we have also studied the correlation of maximum ionization cross section with the square root of the ratio of polarizability to ionization potential for the molecules with known polarizabilities. A linear relation is observed between these quantities. This correlation is used to obtain approximate polarizability volumes for SiBr4, SiI4, GeCl4, GeBr4, and GeI4 molecules.

  1. Ionization processes in combined high-voltage nanosecond - laser discharges in inert gas

    NASA Astrophysics Data System (ADS)

    Starikovskiy, Andrey; Shneider, Mikhail; PU Team

    2016-09-01

    Remote control of plasmas induced by laser radiation in the atmosphere is one of the challenging issues of free space communication, long-distance energy transmission, remote sensing of the atmosphere, and standoff detection of trace gases and bio-threat species. Sequences of laser pulses, as demonstrated by an extensive earlier work, offer an advantageous tool providing access to the control of air-plasma dynamics and optical interactions. The avalanche ionization induced in a pre-ionized region by infrared laser pulses where investigated. Pre-ionization was created by an ionization wave, initiated by high-voltage nanosecond pulse. Then, behind the front of ionization wave extra avalanche ionization was initiated by the focused infrared laser pulse. The experiment was carried out in argon. It is shown that the gas pre-ionization inhibits the laser spark generation under low pressure conditions.

  2. Detailed and simplified nonequilibrium helium ionization in the solar atmosphere

    SciTech Connect

    Golding, Thomas Peter; Carlsson, Mats; Leenaarts, Jorrit E-mail: mats.carlsson@astro.uio.no

    2014-03-20

    Helium ionization plays an important role in the energy balance of the upper chromosphere and transition region. Helium spectral lines are also often used as diagnostics of these regions. We carry out one-dimensional radiation-hydrodynamics simulations of the solar atmosphere and find that the helium ionization is set mostly by photoionization and direct collisional ionization, counteracted by radiative recombination cascades. By introducing an additional recombination rate mimicking the recombination cascades, we construct a simplified three-level helium model atom consisting of only the ground states. This model atom is suitable for modeling nonequilibrium helium ionization in three-dimensional numerical models. We perform a brief investigation of the formation of the He I 10830 and He II 304 spectral lines. Both lines show nonequilibrium features that are not recovered with statistical equilibrium models, and caution should therefore be exercised when such models are used as a basis for interpretating observations.

  3. Epicyclic helical channels for parametric resonance ionization cooling

    SciTech Connect

    Johson, Rolland Paul; Derbenev, Yaroslav

    2015-08-23

    Proposed next-generation muon colliders will require major technical advances to achieve rapid muon beam cooling requirements. Parametric-resonance Ionization Cooling (PIC) is proposed as the final 6D cooling stage of a high-luminosity muon collider. In PIC, a half-integer parametric resonance causes strong focusing of a muon beam at appropriately placed energy absorbers while ionization cooling limits the beam’s angular spread. Combining muon ionization cooling with parametric resonant dynamics in this way should then allow much smaller final transverse muon beam sizes than conventional ionization cooling alone. One of the PIC challenges is compensation of beam aberrations over a sufficiently wide parameter range while maintaining the dynamical stability with correlated behavior of the horizontal and vertical betatron motion and dispersion. We explore use of a coupling resonance to reduce the dimensionality of the problem and to shift the dynamics away from non-linear resonances. PIC simulations are presented.

  4. Density, Velocity and Ionization Structure in Accretion-Disc Winds

    NASA Technical Reports Server (NTRS)

    Sonneborn, George (Technical Monitor); Long, Knox

    2004-01-01

    This was a project to exploit the unique capabilities of FUSE to monitor variations in the wind- formed spectral lines of the luminous, low-inclination, cataclysmic variables(CV) -- RW Sex. (The original proposal contained two additional objects but these were not approved.) These observations were intended to allow us to determine the relative roles of density and ionization state changes in the outflow and to search for spectroscopic signatures of stochastic small-scale structure and shocked gas. By monitoring the temporal behavior of blue-ward extended absorption lines with a wide range of ionization potentials and excitation energies, we proposed to track the changing physical conditions in the outflow. We planned to use a new Monte Carlo code to calculate the ionization structure of and radiative transfer through the CV wind. The analysis therefore was intended to establish the wind geometry, kinematics and ionization state, both in a time-averaged sense and as a function of time.

  5. CHEMI-IONIZATION IN SOLAR PHOTOSPHERE: INFLUENCE ON THE HYDROGEN ATOM EXCITED STATES POPULATION

    SciTech Connect

    Mihajlov, Anatolij A.; Ignjatovic, Ljubinko M.; Sreckovic, Vladimir A.; Dimitrijevic, Milan S. E-mail: mihajlov@ipb.ac.rs

    2011-03-15

    In this paper, the influence of chemi-ionization processes in H*(n {>=} 2) + H(1s) collisions, as well as the influence of inverse chemi-recombination processes on hydrogen atom excited-state populations in solar photosphere, are compared with the influence of concurrent electron-atom and electron-ion ionization and recombination processes. It has been found that the considered chemi-ionization/recombination processes dominate over the relevant concurrent processes in almost the whole solar photosphere. Thus, it is shown that these processes and their importance for the non-local thermodynamic equilibrium modeling of the solar atmosphere should be investigated further.

  6. Ionization Processes in the Atmosphere of Titan (Research Note). III. Ionization by High-Z Nuclei Cosmic Rays

    NASA Technical Reports Server (NTRS)

    Gronoff, G.; Mertens, C.; Lilensten, J.; Desorgher, L.; Fluckiger, E.; Velinov, P.

    2011-01-01

    Context. The Cassini-Huygens mission has revealed the importance of particle precipitation in the atmosphere of Titan thanks to in-situ measurements. These ionizing particles (electrons, protons, and cosmic rays) have a strong impact on the chemistry, hence must be modeled. Aims. We revisit our computation of ionization in the atmosphere of Titan by cosmic rays. The high-energy high-mass ions are taken into account to improve the precision of the calculation of the ion production profile. Methods. The Badhwahr and O Neill model for cosmic ray spectrum was adapted for the Titan model. We used the TransTitan model coupled with the Planetocosmics model to compute the ion production by cosmic rays. We compared the results with the NAIRAS/HZETRN ionization model used for the first time for a body that differs from the Earth. Results. The cosmic ray ionization is computed for five groups of cosmic rays, depending on their charge and mass: protons, alpha, Z = 8 (oxygen), Z = 14 (silicon), and Z = 26 (iron) nucleus. Protons and alpha particles ionize mainly at 65 km altitude, while the higher mass nucleons ionize at higher altitudes. Nevertheless, the ionization at higher altitude is insufficient to obscure the impact of Saturn s magnetosphere protons at a 500 km altitude. The ionization rate at the peak (altitude: 65 km, for all the different conditions) lies between 30 and 40/cu cm/s. Conclusions. These new computations show for the first time the importance of high Z cosmic rays on the ionization of the Titan atmosphere. The updated full ionization profile shape does not differ significantly from that found in our previous calculations (Paper I: Gronoff et al. 2009, 506, 955) but undergoes a strong increase in intensity below an altitude of 400 km, especially between 200 and 400 km altitude where alpha and heavier particles (in the cosmic ray spectrum) are responsible for 40% of the ionization. The comparison of several models of ionization and cosmic ray spectra (in

  7. Carbon K-shell electron energy loss spectra of 1- and 2-butenes, trans-1,3-butadiene, and perfluoro-2-butene. Carbon-carbon bond lengths from continuum shape resonances

    NASA Astrophysics Data System (ADS)

    Hitchcock, A. P.; Beaulieu, S.; Steel, T.; Stöhr, J.; Sette, F.

    1984-05-01

    Electron energy loss spectra of 1-butene, cis-2-butene, trans-2-butene, trans-1,3-butadiene, and perfluoro-2-butene in the region of carbon K-shell (C 1s) excitation and ionization have been recorded under dipole-dominated inelastic electron scattering conditions. The features observed below the C 1s I.P. in the spectra of the butenes and butadiene are assigned to promotions of C 1s electrons to unoccupied valence (π*) and Rydberg orbitals while broad features observed above the edge are assigned to σ(C-C) and σ(C-C) shape resonances. These spectra, along with carbon K-shell spectra of other hydrocarbons, are used to demonstrate that there is a quantitative relationship between carbon-carbon bond lengths and the location of σ shape resonances relative to the C 1s ionization threshold (I.P.). The C 1s spectrum of perfluoro-2-butene demonstrates dramatic potential barrier effects, namely suppression of Rydberg transitions and strong enhancement of σ(C-C) and σ(C-F) shape resonances in the region of the C 1s ionization threshold.

  8. High pressure xenon ionization detector

    DOEpatents

    Markey, J.K.

    1989-11-14

    A method is provided for detecting ionization comprising allowing particles that cause ionization to contact high pressure xenon maintained at or near its critical point and measuring the amount of ionization. An apparatus is provided for detecting ionization, the apparatus comprising a vessel containing a ionizable medium, the vessel having an inlet to allow high pressure ionizable medium to enter the vessel, a means to permit particles that cause ionization of the medium to enter the vessel, an anode, a cathode, a grid and a plurality of annular field shaping rings, the field shaping rings being electrically isolated from one another, the anode, cathode, grid and field shaping rings being electrically isolated from one another in order to form an electric field between the cathode and the anode, the electric field originating at the anode and terminating at the cathode, the grid being disposed between the cathode and the anode, the field shaping rings being disposed between the cathode and the grid, the improvement comprising the medium being xenon and the vessel being maintained at a pressure of 50 to 70 atmospheres and a temperature of 0 to 30 C. 2 figs.

  9. High pressure xenon ionization detector

    DOEpatents

    Markey, John K.

    1989-01-01

    A method is provided for detecting ionization comprising allowing particles that cause ionization to contact high pressure xenon maintained at or near its critical point and measuring the amount of ionization. An apparatus is provided for detecting ionization, the apparatus comprising a vessel containing a ionizable medium, the vessel having an inlet to allow high pressure ionizable medium to enter the vessel, a means to permit particles that cause ionization of the medium to enter the vessel, an anode, a cathode, a grid and a plurality of annular field shaping rings, the field shaping rings being electrically isolated from one another, the anode, cathode, grid and field shaping rings being electrically isolated from one another in order to form an electric field between the cathode and the anode, the electric field originating at the anode and terminating at the cathode, the grid being disposed between the cathode and the anode, the field shaping rings being disposed between the cathode and the grid, the improvement comprising the medium being xenon and the vessel being maintained at a pressure of 50 to 70 atmospheres and a temperature of 0.degree. to 30.degree. C.

  10. Electron Impact Ionization of the Rare Gases

    NASA Astrophysics Data System (ADS)

    Lohmann, Birgit

    2008-10-01

    Detailed information about the electron impact ionization process can be obtained from fully differential cross section measurements, in which the ionized electron is detected in coincidence with the outgoing scattered projectile electron. Incident and outgoing electron momenta are completely determined in these measurements. A considerable body of experimental and theoretical data exists for H and He targets, and the level of agreement between theory and experiment for these simple atoms is exceptional. However, there are still significant discrepancies between theory and experiment in the case of ionization of more complex atomic targets such as the heavier rare gas atoms. In this talk I will present recent measurements and theoretical predictions of fully differential cross sections for ionization of a range of rare gas targets: He, Ne, Ar and Xe. The talk will concentrate primarily on experiments which have been performed by two experimental groups, our group in Australia [1-3] and that of Lahmam-Bennani [3-5] in France. The experimental conditions span two different kinematic regimes, one with intermediate incident electron energy and low ejected electron energy, and the other with higher incident electron energy, and ejected electron energies which correspond to large energy transfer in the collision process. All experiments have been performed in a coplanar asymmetric configuration in which the scattered electron is detected at a small forward scattering angle. The experimental apparatus used in Australia is of quite different design to that in France, and I will present the results of an experiment in which the two groups have collaborated to produce data under identical kinematic conditions and for the same targets, using these two very different experimental approaches. This comprehensive set of experimental data has provided an interesting challenge to theory, and I will discuss the state of play with regard to the alignment between curent state

  11. Bond breaking, electron pushing, and proton pulling: active and passive roles in the interaction between aqueous ions and water as manifested in the O 1s Auger decay.

    PubMed

    Pokapanich, W; Ottosson, N; Svensson, S; Ohrwall, G; Winter, B; Björneholm, O

    2012-01-12

    A core-ionized H(2)O molecule in liquid water primarily relaxes through normal Auger decay, leading to a two-hole final state in which both valence holes are localized on the same water molecule. Electronic coupling to the environment, however, allows for alternative decays resembling Intermolecular Coulombic Decay (ICD), producing final states with one of the holes delocalized on a neighboring water molecule. Here we present an experimental study of such minority processes, which adds to our understanding of dynamic interactions of electronically excited H(2)O molecules with their local surrounding in liquid water and aqueous solution. We show that the solvation of metal-halide salts considerably influences these minority decay channels from the water O 1s(-1) state. By breaking water-water bonds, both the metal cations and halide anions are found to reduce the decay into water-water delocalized states, thus having a ″passive″ effect on the Auger spectrum. The halide anions also play an ″active″ role by opening a new ICD-like decay pathway into water-halide delocalized states. The importance of this contribution increases from F(-) to I(-), which we suggest to be caused by a directional polarization of the halide anion toward the core-ionized H(2)O(+) cation in the intermediate state of the Auger process. This increases the electronic overlap between the two centers and makes delocalized decays more probable. We furthermore show that F(-), the smallest and most strongly hydrated of the halides, plays an additional role as proton puller during the core-hole lifetime, resulting in proton dynamics on the low femtosecond time scale. Our results represent a step forward toward a better understanding of how aqueous solutions, when exposed to soft X-rays, channel excess energy. This has implications for several aspects of physical and radiation chemistry, as well as biology.

  12. Iron ionization and recombination rates and ionization equilibrium

    NASA Technical Reports Server (NTRS)

    Arnaud, M.; Raymond, J.

    1992-01-01

    In the past few years important progress has been made on the knowledge of ionization and recombination rates of iron, an astrophysically abundant heavy element and a major impurity in laboratory fusion devices. We make a critical review of the existing data on ionization and dielectronic recombination and present new computations of radiative recombination rate coefficients of Fe(+14) through Fe(+25) using the photoionization cross sections of Clark et al. (1986). We provide analytical fits to the recommended data (direct ionization and excitation-autoionization cross sections; radiative and dielectronic recombination rate coefficients). Finally we determine the iron ionic fractions at ionization equilibrium and compare them with previous computations as well as with observational data.

  13. The ionization mechanisms in direct and dopant-assisted atmospheric pressure photoionization and atmospheric pressure laser ionization.

    PubMed

    Kauppila, Tiina J; Kersten, Hendrik; Benter, Thorsten

    2014-11-01

    A novel, gas-tight API interface for gas chromatography-mass spectrometry was used to study the ionization mechanism in direct and dopant-assisted atmospheric pressure photoionization (APPI) and atmospheric pressure laser ionization (APLI). Eight analytes (ethylbenzene, bromobenzene, naphthalene, anthracene, benzaldehyde, pyridine, quinolone, and acridine) with varying ionization energies (IEs) and proton affinities (PAs), and four common APPI dopants (toluene, acetone, anisole, and chlorobenzene) were chosen. All the studied compounds were ionized by direct APPI, forming mainly molecular ions. Addition of dopants suppressed the signal of the analytes with IEs above the IE of the dopant. For compounds with suitable IEs or Pas, the dopants increased the ionization efficiency as the analytes could be ionized through dopant-mediated gas-phase reactions, such as charge exchange, proton transfer, and other rather unexpected reactions, such as formation of [M + 77](+) in the presence of chlorobenzene. Experiments with deuterated toluene as the dopant verified that in case of proton transfer, the proton originated from the dopant instead of proton-bound solvent clusters, as in conventional open or non-tight APPI sources. In direct APLI using a 266 nm laser, a narrower range of compounds was ionized than in direct APPI, because of exceedingly high IEs or unfavorable two-photon absorption cross-sections. Introduction of dopants in the APLI system changed the ionization mechanism to similar dopant-mediated gas-phase reactions with the dopant as in APPI, which produced mainly ions of the same form as in APPI, and ionized a wider range of analytes than direct APLI.

  14. High-level ab initio predictions for the ionization energy, electron affinity, and heats of formation of cyclopentadienyl radical, cation, and anion, C5H5/C5H5+/C5H5-.

    PubMed

    Lo, Po-Kam; Lau, Kai-Chung

    2014-04-03

    The ionization energy (IE), electron affinity (EA), and heats of formation (ΔH°f0/ΔH°f298) for cyclopentadienyl radical, cation, and anion, C5H5/C5H5(+)/C5H5(-), have been calculated by wave function-based ab initio CCSDT/CBS approach, which involves approximation to complete basis set (CBS) limit at coupled-cluster level with up to full triple excitations (CCSDT). The zero-point vibrational energy correction, core-valence electronic correction, scalar relativistic effect, and higher-order corrections beyond the CCSD(T) wave function are included in these calculations. The allylic [C5H5((2)A2)] and dienylic [C5H5((2)B1)] forms of cyclopentadienyl radical are considered: the ground state structure exists in the dienyl form and it is about 30 meV more stable than the allylic structure. Both structures are lying closely and are interconvertible along the normal mode of b2 in-plane vibration. The CCSDT/CBS predictions (in eV) for IE[C5H5(+)((3)A1')←C5H5((2)B1)] = 8.443, IE[C5H5(+)((1)A1)←C5H5((2)B1)] = 8.634 and EA[C5H5(-)((1)A1')←C5H5((2)B1)] = 1.785 are consistent with the respective experimental values of 8.4268 ± 0.0005, 8.6170 ± 0.0005, and 1.808 ± 0.006, obtained from photoelectron spectroscopic measurements. The ΔH°f0/ΔH°f298's (in kJ/mol) for C5H5/C5H5(+)/C5H5(-) have also been predicted by the CCSDT/CBS method: ΔH°f0/ΔH°f298[C5H5((2)B1)] = 283.6/272.0, ΔH°f0/ΔH°f298[C5H5(+)((3)A1')] = 1098.2/1086.9, ΔH°f0/ΔH°f298[C5H5(+)((1)A1)] = 1116.6/1106.0, and ΔH°f0/ΔH°f298[C5H5(-)((1)A1')] = 111.4/100.0. The comparisons between the CCSDT/CBS predictions and the experimental values suggest that the CCSDT/CBS procedure is capable of predicting reliable IE(C5H5)'s and EA(C5H5) with uncertainties of ± 17 and ± 23 meV, respectively.

  15. Optical ionization detector

    DOEpatents

    Wuest, Craig R.; Lowry, Mark E.

    1994-01-01

    An optical ionization detector wherein a beam of light is split so that one arm passes through a fiber optics and the other arm passes through a gas-filled region, and uses interferometry to detect density changes in a gas when charged particles pass through it. The gas-filled region of the detector is subjected to a high electric field and as a charged particle traverses this gas region electrons are freed from the cathode and accelerated so as to generate an electron avalanche which is collected on the anode. The gas density is effected by the electron avalanche formation and if the index or refraction is proportional to the gas density the index will change accordingly. The detector uses this index change by modulating the one arm of the split light beam passing through the gas, with respect to the other arm that is passed through the fiber optic. Upon recombining of the beams, interference fringe changes as a function of the index change indicates the passage of charged particles through the gaseous medium.

  16. Optical ionization detector

    DOEpatents

    Wuest, C.R.; Lowry, M.E.

    1994-03-29

    An optical ionization detector wherein a beam of light is split so that one arm passes through a fiber optics and the other arm passes through a gas-filled region, and uses interferometry to detect density changes in a gas when charged particles pass through it. The gas-filled region of the detector is subjected to a high electric field and as a charged particle traverses this gas region electrons are freed from the cathode and accelerated so as to generate an electron avalanche which is collected on the anode. The gas density is effected by the electron avalanche formation and if the index or refraction is proportional to the gas density the index will change accordingly. The detector uses this index change by modulating the one arm of the split light beam passing through the gas, with respect to the other arm that is passed through the fiber optic. Upon recombining of the beams, interference fringe changes as a function of the index change indicates the passage of charged particles through the gaseous medium. 3 figures.

  17. Microwave reflectometer ionization sensor

    NASA Technical Reports Server (NTRS)

    Seals, Joseph; Fordham, Jeffrey A.; Pauley, Robert G.; Simonutti, Mario D.

    1993-01-01

    The development of the Microwave Reflectometer Ionization Sensor (MRIS) Instrument for use on the Aeroassist Flight Experiment (AFE) spacecraft is described. The instrument contract was terminated, due to cancellation of the AFE program, subsequent to testing of an engineering development model. The MRIS, a four-frequency reflectometer, was designed for the detection and location of critical electron density levels in spacecraft reentry plasmas. The instrument would sample the relative magnitude and phase of reflected signals at discrete frequency steps across 4 GHz bandwidths centered at four frequencies: 20, 44, 95, and 140 GHz. The sampled data would be stored for later processing to calculate the distance from the spacecraft surface to the critical electron densities versus time. Four stepped PM CW transmitter receivers were located behind the thermal protection system of the spacecraft with horn antennas radiating and receiving through an insulating tile. Techniques were developed to deal with interference, including multiple reflections and resonance effects, resulting from the antenna configuration and operating environment.

  18. A comparison of methods for calculating O(1S) lifetimes

    NASA Astrophysics Data System (ADS)

    Burns, G. B.; Reid, J. S.

    It is shown theoretically and with simulated data that O(1S) lifetimes determined by the cross-spectral method (Paulson and Shepherd, 1965) are significant overestimates. A comparison is made of the cross-spectral and impulse function analysis (Burns and Reid, 1984) methods using photometric data collected at Macquarie Island (54.5 deg S, 159.0 deg E geographic). The results support the view that the O(1S) state is excited predominantly by an indirect process.

  19. Ionizing radiation promotes protozoan reproduction

    SciTech Connect

    Luckey, T.D.

    1986-11-01

    This experiment was performed to determine whether ionizing radiation is essential for maximum growth rate in a ciliated protozoan. When extraneous ionizing radiation was reduced to 0.15 mrad/day, the reproduction rate of Tetrahymena pyriformis was significantly less (P less than 0.01) than it was at near ambient levels, 0.5 or 1.8 mrad/day. Significantly higher growth rates (P less than 0.01) were obtained when chronic radiation was increased. The data suggest that ionizing radiation is essential for optimum reproduction rate in this organism.

  20. Pulsed helium ionization detection system

    DOEpatents

    Ramsey, R.S.; Todd, R.A.

    1985-04-09

    A helium ionization detection system is provided which produces stable operation of a conventional helium ionization detector while providing improved sensitivity and linearity. Stability is improved by applying pulsed dc supply voltage across the ionization detector, thereby modifying the sampling of the detectors output current. A unique pulse generator is used to supply pulsed dc to the detector which has variable width and interval adjust features that allows up to 500 V to be applied in pulse widths ranging from about 150 nsec to about dc conditions.

  1. Pulsed helium ionization detection system

    DOEpatents

    Ramsey, Roswitha S.; Todd, Richard A.

    1987-01-01

    A helium ionization detection system is provided which produces stable operation of a conventional helium ionization detector while providing improved sensitivity and linearity. Stability is improved by applying pulsed dc supply voltage across the ionization detector, thereby modifying the sampling of the detectors output current. A unique pulse generator is used to supply pulsed dc to the detector which has variable width and interval adjust features that allows up to 500 V to be applied in pulse widths ranging from about 150 nsec to about dc conditions.

  2. Higher-Sensitivity Ionization Trace-Species Detector

    NASA Technical Reports Server (NTRS)

    Boumsellek, Said; Chutjian, Ara

    1995-01-01

    Electron source and electron optics of reversal electron-attachment detector modified to increase sensitivity. Original version described in "High-Sensitivity Ionization Trace-Species Detector" (NPO-17596). Used to detect molecules of particular chemical species of interest (e.g., narcotics, explosives, or organic wastes) present in air at low concentrations, and known to attach extremely low-energy electrons. Apparatus does this by ionizing molecules from sampled atmosphere, then detecting ions of species of interest. Detector features indirectly heated spherical cathode and redesigned electron optics, together, deliver more electrons at low kinetic energy to reversal plane, R. Greater electron current generates more ions for detection.

  3. The role of ionizing radiation in primordial organic synthesis.

    NASA Technical Reports Server (NTRS)

    Ponnamperuma, C.; Sweeney, M.

    1971-01-01

    Attempt to reveal how ionizing radiation may have been effective in producing the molecules necessary for life. In examining the sequence of events leading to the appearance of the first organisms the problem is considered in two parts: the formation of the small molecules such as amino acids, purines, pyrimidines, and carbohydrates; and the condensation of these molecules to give rise to polypeptides and polynucleotides. It is concluded that in the accumulation of organic compounds on the early earth ionizing radiation was not only a substantial part of the available energy, but was also an effective form of energy.

  4. Coherent Dynamics Following Strong Field Ionization of Polyatomic Molecules

    NASA Astrophysics Data System (ADS)

    Konar, Arkaprabha; Shu, Yinan; Lozovoy, Vadim; Jackson, James; Levine, Benjamin; Dantus, Marcos

    2015-03-01

    Molecules, as opposed to atoms, present confounding possibilities of nuclear and electronic motion upon strong field ionization. The dynamics and fragmentation patterns in response to the laser field are structure sensitive; therefore, a molecule cannot simply be treated as a ``bag of atoms'' during field induced ionization. We consider here to what extent molecules retain their molecular identity and properties under strong laser fields. Using time-of-flight mass spectrometry in conjunction with pump-probe techniques we study the dynamical behavior of these molecules, monitoring ion yield modulation caused by intramolecular motions post ionization. The delay scans show that among positional isomers the variations in relative energies, amounting to only a few hundred meVs, influence the dynamical behavior of the molecules despite their having experienced such high fields (V/Å). Ab initio calculations were performed to predict dynamics along with single and multiphoton resonances in the neutral and ionic states. We propose that single electron ionization occurs within an optical cycle with the electron carrying away essentially all of the energy, leaving behind little internal energy in the cation. Evidence for this observation comes from coherent vibrational motion governed by the potential energy surface of the ground state of the cation. Subsequent fragmentation of the cation takes place as a result of further photon absorption modulated by one- and two-photon resonances, which provide sufficient energy to overcome the dissociation energy.

  5. Droplet dynamics and ionization mechanisms in desorption electrospray ionization mass spectrometry.

    PubMed

    Venter, Andre; Sojka, Paul E; Cooks, R Graham

    2006-12-15

    A droplet pickup and other mechanisms have been suggested for the ionization of biomolecules like peptides and proteins by desorption electrospray ionization. To verify this hypothesis phase Doppler particle analysis was used to study the sizes and velocities of droplets involved in DESI. It was found that impacting droplets typically have velocities of 120 m/s and average diameters of 2-4 microm. Small differences in sprayer construction influence the operating conditions at which droplets of these dimensions are produced. Under these conditions, the kinetic energy per impacting water molecule is less than 0.6 meV and sputtering through momentum transfer during collisions or ionization by other electronic processes is unlikely. Droplets arrive at the surface with velocities well below the speed of sound in common materials, thereby excluding the possibility of ionization by shockwave formation. Some droplets appear to roll along the surface, increasing contact time and presumably the amount of material that is taken up into droplets during conditions typical of the DESI experiment.

  6. Development of a Portable Single Photon Ionization-Photoelectron Ionization Time-of-Flight Mass Spectrometer

    PubMed Central

    Huang, Yunguang; Li, Jinxu; Tang, Bin; Zhu, Liping; Hou, Keyong; Li, Haiyang

    2015-01-01

    A vacuum ultraviolet lamp based single photon ionization- (SPI-) photoelectron ionization (PEI) portable reflecting time-of-flight mass spectrometer (TOFMS) was designed for online monitoring gas samples. It has a dual mode ionization source: SPI for analyte with ionization energy (IE) below 10.6 eV and PEI for IE higher than 10.6 eV. Two kinds of sampling inlets, a capillary inlet and a membrane inlet, are utilized for high concentration and trace volatile organic compounds, respectively. A mass resolution of 1100 at m/z 64 has been obtained with a total size of 40 × 31 × 29 cm, the weight is 27 kg, and the power consumption is only 70 W. A mixture of benzene, toluene, and xylene (BTX), SO2, and discharging products of SF6 were used to test its performance, and the result showed that the limit of quantitation for BTX is as low as 5 ppbv (S/N = 10 : 1) with linear dynamic ranges greater than four orders of magnitude. The portable TOFMS was also evaluated by analyzing volatile organic compounds from wine and decomposition products of SF6 inside of a gas-insulated switchgear. PMID:26587023

  7. Nonadiabatic dynamics of floppy hydrogen bonded complexes: the case of the ionized ammonia dimer.

    PubMed

    Chalabala, Jan; Slavíček, Petr

    2016-07-27

    In the case of the ammonia dimer, we address the following questions: how ultrafast ionization dynamics is controlled by hydrogen bonding and whether we can control the products via selective ionization of a specific electron. We use quantum chemical calculations and ab initio non-adiabatic molecular dynamics simulations to model the femtosecond dynamics of the ammonia dimer upon ionization. The role of nuclear quantum effects and thermal fluctuations in predicting the structure of the dimer is emphasized; it is shown that the minimum energy and vibrationally averaged structures are rather different. The ground state structure subsequently controls the ionization dynamics. We describe reaction pathways, electronic population transfers and reaction yields with respect to ionization from different molecular orbitals. The simulations showed that the ionized ammonia dimer is highly unstable and its decay rate is primarily driven by the position of the electron hole. In the case of ground state ionization (i.e. the HOMO electron is ionized), the decay is likely to be preceded by a proton transfer (PT) channel yielding NH4(+) and NH2˙ fragments. The PT is less intense and slower compared with the ionized water dimer. After ionizing deeper lying electrons, mainly NH3(+)˙ and NH3 fragments are formed. Overall, our results show that the ionization dynamics of the ammonia and water dimers differ due to the nature of the hydrogen bond in these systems.

  8. Ionization-based detectors for gas chromatography.

    PubMed

    Poole, Colin F

    2015-11-20

    The gas phase ionization detectors are the most widely used detectors for gas chromatography. The column and makeup gases commonly used in gas chromatography are near perfect insulators. This facilitates the detection of a minute number of charge carriers facilitating the use of ionization mechanisms of low efficiency while providing high sensitivity. The main ionization mechanism discussed in this report are combustion in a hydrogen diffusion flame (flame ionization detector), surface ionization in a plasma (thermionic ionization detector), photon ionization (photoionization detector and pulsed discharge helium ionization detector), attachment of thermal electrons (electron-capture detector), and ionization by collision with metastable helium species (helium ionization detector). The design, response characteristics, response mechanism, and suitability for fast gas chromatography are the main features summarized in this report. Mass spectrometric detection and atomic emission detection, which could be considered as ionization detectors of a more sophisticated and complex design, are not discussed in this report.

  9. Weak decays of J/\\psi and {\\rm{\\Upsilon }}(1S)

    NASA Astrophysics Data System (ADS)

    Wang, Tianhong; Jiang, Yue; Yuan, Han; Chai, Kan; Wang, Guo-Li

    2017-04-01

    In this paper we study the weak decays of J/\\psi and {{\\Upsilon }}(1S). The cases when the final mesons are pseudo-scalars or vectors are considered. Using the Bethe–Salpeter method, we calculate the hadronic transition amplitude and give the form factors. The energy spectra of leptons for the semi-leptonic channels are also presented for convenience. In the calculation of non-leptonic decays, the naive factorization is applied. And all types of such channels, namely, flavor-favored or suppressed and color-favored or suppressed, are calculated. Our results show that, for the semi-leptonic decay modes, the largest branching ratios are of the order of 10‑10 both for J/\\psi and {{\\Upsilon }}(1S) decays, and the largest branching ratios of non-leptonic decays are of the order of 10‑9 for J/\\psi and 10‑10 for {{\\Upsilon }}(1S).

  10. Electron-impact dissociation and ionization of NO+ ions

    NASA Astrophysics Data System (ADS)

    Belic, D. S.; Urbain, X.; Cherkani-Hassani, H.; Defrance, P.

    2016-07-01

    Absolute cross sections for electron-impact ionization and dissociation of NO+ ions are reported. Simple ionization to NO2+ ion and production of singly charged N+ and O+ and doubly charged N2+ and O2+ fragments have been investigated. The animated electron-ion crossed-beam method is applied in the energy range from the respective thresholds up to 2.5 keV. The maximum of the simple ionization cross section is found to be (3.49 ± 0.07) × 10-17 cm2 at 135 eV. The total cross sections for N+ and O+ fragments at the maximum are found to be (13.9 ± 1.0) × 10-17 cm2 and (14.0 ± 1.4) × 10-17 cm2, respectively, both at an energy of 85 eV. By performing careful magnetic field scans of the detected signal, contributions of dissociative excitation and dissociative ionization to N+ and O+ production are determined separately. The cross sections for asymmetric dissociative ionization to N2+ and O2+ are found to be over one order of magnitude smaller. Distributions of the kinetic energy release to the fragments are determined for all dissociation processes.

  11. The Kinematics of the Ionized Gas in IC 10

    NASA Astrophysics Data System (ADS)

    Thurow, Joshua C.; Wilcots, Eric M.

    2005-02-01

    We present the results of a WIYN integral field unit study of the kinematics of the ionized gas in IC 10, a dwarf irregular starburst galaxy in the Local Group. Though the velocity field of the ionized gas closely matches that of the H I, there are several kinematically interesting features in the galaxy. The diffuse ionized gas in the galaxy exhibits larger Hα line widths than the bright complexes. In one case this is due to an infusion of energy into the gas associated with the radio superbubble discovered by Yang & Skillman. We find that the amount of energy in this region is consistent with their hypothesis that the region contains 10 supernova remnants. We also detect a high-velocity (70 km s-1) expanding shell in the ionized gas, which is likely driven by three confirmed Wolf-Rayet stars that are located within the shell. Extrapolating from Hunter's initial mass function, we find that the central starburst region contains approximately equal energy contributions from stellar winds and supernovae (SNe), suggesting that SNe are just beginning to play a significant role in shaping the kinematics of the ionized gas. However, all of this energy cannot be easily accounted for in the kinematics of the gas. We detect an energetic flow of gas (3×1052 ergs), which we believe originates from the starburst region. We also detect a high-velocity (70 km s-1) feature not coincident with any structure in our Hα image. This feature, along with the flow and shell, can account for the energy produced by stellar wind and SNe. The flow resembles one discovered by Wilcots & Thurow in NGC 4214; together they suggest that the porosity of the interstellar medium contributes significantly to the high velocity of some portion of the ionized gas in irregular galaxies.

  12. Off-resonance photoemission dynamics studied by recoil frame F1s and C1s photoelectron angular distributions of CH{sub 3}F

    SciTech Connect

    Stener, M. Decleva, P.; Mizuno, T.; Yagishita, A.; Yoshida, H.

    2014-01-28

    F1s and C1s photoelectron angular distributions are considered for CH{sub 3}F, a molecule which does not support any shape resonance. In spite of the absence of features in the photoionization cross section profile, the recoil frame photoelectron angular distributions (RFPADs) exhibits dramatic changes depending on both the photoelectron energy and polarization geometry. Time-dependent density functional theory calculations are also given to rationalize the photoionization dynamics. The RFPADs have been compared with the theoretical calculations, in order to assess the accuracy of the theoretical method and rationalize the experimental findings. The effect of finite acceptance angles for both ionic fragments and photoelectrons has been included in the calculations, as well as the effect of rotational averaging around the fragmentation axis. Excellent agreement between theory and experiment is obtained, confirming the good quality of the calculated dynamical quantities (dipole moments and phase shifts)

  13. Dissociative Ionization of Aromatic and Heterocyclic Molecules

    NASA Technical Reports Server (NTRS)

    Huo, Winifred M.

    2003-01-01

    Space radiation poses a major health hazard to humans in space flight. The high-energy charged particles in space radiation ranging from protons to high atomic number, high-energy (HZE) particles, and the secondary species they produce, attack DNA, cells, and tissues. Of the potential hazards, long-term health effects such as carcinogenesis are likely linked to the DNA lesions caused by secondary electrons in the 1 - 30 eV range. Dissociative ionization (DI) is one of the electron collision processes that can damage the DNA, either directly by causing a DNA lesion, or indirectly by producing radicals and cations that attack the DNA. To understand this process, we have developed a theoretical model for DI. Our model makes use of the fact that electron motion is much faster than nuclear motion and assumes DI proceeds through a two-step process. The first step is electron-impact ionization resulting in a particular state of the molecular ion in the geometry of the neutral molecule. In the second step the ion undergoes unimolecular dissociation. Thus the DI cross section sigma(sup DI)(sub a) for channel a is given by sigma(sup DI)(sub a) = sigma(sup I)(sub a) P(sub D) with sigma(sup I)(sub a) the ionization cross section of channel a and P(sub D) the dissociation probability. This model has been applied to study the DI of H2O, NH3, and CH4, with results in good agreement with experiment. The ionization cross section sigma(sup I)(sub a) was calculated using the improved binary encounter-dipole model and the unimolecular dissociation probability P(sub D) obtained by following the minimum energy path determined by the gradients and Hessians of the electronic energy with respect to the nuclear coordinates of the ion. This model is used to study the DI from the low-lying channels of benzene and pyridine to understand the different product formation in aromatic and heterocyclic molecules. DI study of the DNA base thymine is underway. Solvent effects will also be discussed.

  14. Momentum correlation of electron-hydrogen ionization

    NASA Astrophysics Data System (ADS)

    Sui-meng, Zhang; Zhang-jin, Chen

    1999-07-01

    Following the work of Berakdar, the momentum correlation in the three-body Coulomb continuum problem is considered by the introduction of effective Sommerfeld parameters for both symmetric and asymmetric geometry. The triple differential cross sections for electron impact ionization of atomic hydrogen at incident energies of 54.4 and 150eV in asymmetric geometry are calculated. Results are compared with the related measurements and the only existing theoretical results of the convergent close-coupling method. They are in good agreement with experiment, though some small quantitative discrepancies remain.

  15. Structure and bonding in ionized water clusters.

    PubMed

    Do, Hainam; Besley, Nicholas A

    2013-06-27

    The structure and bonding in ionized water clusters, (H2O)(n)(+) (n = 3–9), has been studied using the basin hopping search algorithm in combination with quantum chemical calculations. Initially candidate low energy isomers were generated using basin hopping in conjunction with density functional theory. Subsequently, the structures and energies were refined using second order Møller–Plesset perturbation theory and coupled cluster theory, respectively. The lowest energy isomers are found to involve proton transfer to give H(3)O(+) and a OH radical, which are more stable than isomers containing the hemibonded hydrazine-like fragment (H(2)O–OH(2)), with the calculated infrared spectra consistent with experimental data. For (H(2)O)(9)(+) the observation of a new structural motif comprising proton transfer to form H(3)O(+) and OH, but with the OH radical involved in hemibonding to another water molecule is discussed.

  16. Ionization oscillations in Hall accelerators

    NASA Astrophysics Data System (ADS)

    Barral, S.; Peradzyński, Z.

    2010-01-01

    The underlying mechanism of low-frequency oscillations in Hall accelerators is investigated theoretically. It is shown that relaxation oscillations arise from a competition between avalanche ionization and the advective transport of the working gas. The model derived recovers the slow progression and fast recession of the ionization front. Analytical approximations of the shape of current pulses and of the oscillation frequency are provided for the case of large amplitude oscillations.

  17. Electron Impact Ionization Cross Sections and Rate Coefficients for Single Carbon Freon Molecules

    NASA Astrophysics Data System (ADS)

    Pal, Satyendra; Kumar, Neeraj

    2015-09-01

    Single carbon Freon molecules or chlorofluorocarbons (CFCs) are important industrial material with wide-ranging applications as refrigerant, aerosol propellant and semiconductor etchant, etc. The large-scale industrial consumption is of particular environmental concern because of its potential for ozone destruction in the stratosphere. In the present work, we have extended and generalized the modified Jain-Khare (JK) semi-empirical formalism for the evaluation of the total ionization cross sections corresponding to the formation of the cations in the electron impact ionization of molecules to the electron impact ionization of single carbon freon molecules, viz. CFCl3, CF2Cl2 and CF3Cl. The integral partial and the total ionization cross sections as function of incident electron energy are evaluated in the energy range varying from ionization threshold to 1000 eV. In absence of available differential cross sections, the corresponding derived partial and total ionization cross sections revealed a reasonably good agreement with the experimental and theoretical data, wherever available. In addition to the differential and integral ionization cross sections, we have also calculated the ionization rate coefficients using the evaluated partial ionization cross sections and the Maxwell-Boltzmann distribution as a function of electron temperature/energy. The work is supported by DST, New Delhi, India.

  18. Ionization and dissociation dynamics of molecules in strong laser fields

    NASA Astrophysics Data System (ADS)

    Lai, Wei

    The fast advancement of ultrashort-pulsed high-intensity laser technology allows for generating an electric field equivalent to the Coulomb field inside an atom or a molecule (e.g., EC=5.14x109 V/cm at the 1s orbit radius a0=0.0529 nm of the hydrogen atom, which corresponds to an intensity of 3.54x1016 W/cm2). Atoms and molecules exposed in such a field will easily be ionized, as the external field is strong enough to remove the electrons from the core. This is usually referred to "strong field". Strong fields provide a new tool for studying the interaction of atoms and molecules with light in the nonlinear nonperturbative regime. During the past three decades, significant progress has been made in the strong field science. Today, most phenomena involving atoms in strong fields have been relatively well understood by the single-active-electron (SAE) approximation. However, the interpretation of these responses in molecules has encountered great difficulties. Not like atoms that only undergo excitation and ionization, various dissociation channels accompanying excitation and ionization can occur in molecules during the laser pulse interaction, which imparts further complexity to the study of molecules in strong fields. Previous studies have shown that molecules can behave significantly different from rare gas atoms in phenomena as simple as single and double ionization. Molecular dissociation following ionization also presents challenges in strong fields compared to what we have learned in the weak-field regime. This dissertation focuses on experimental studies on ionization and dissociation of some commonly-seen small molecules in strong laser fields. Previous work of molecules in strong fields will be briefly reviewed, particularly on some open questions about multiple dissociation channels, nonsequential double ionization, enhanced ionization and molecular alignment. The identification of various molecular dissociation channels by recent experimental technical

  19. ALFVEN WAVES IN A PARTIALLY IONIZED TWO-FLUID PLASMA

    SciTech Connect

    Soler, R.; Ballester, J. L.; Terradas, J.; Carbonell, M. E-mail: joseluis.ballester@uib.es E-mail: marc.carbonell@uib.es

    2013-04-20

    Alfven waves are a particular class of magnetohydrodynamic waves relevant in many astrophysical and laboratory plasmas. In partially ionized plasmas the dynamics of Alfven waves is affected by the interaction between ionized and neutral species. Here we study Alfven waves in a partially ionized plasma from the theoretical point of view using the two-fluid description. We consider that the plasma is composed of an ion-electron fluid and a neutral fluid, which interact by means of particle collisions. To keep our investigation as general as possible, we take the neutral-ion collision frequency and the ionization degree as free parameters. First, we perform a normal mode analysis. We find the modification due to neutral-ion collisions of the wave frequencies and study the temporal and spatial attenuation of the waves. In addition, we discuss the presence of cutoff values of the wavelength that constrain the existence of oscillatory standing waves in weakly ionized plasmas. Later, we go beyond the normal mode approach and solve the initial-value problem in order to study the time-dependent evolution of the wave perturbations in the two fluids. An application to Alfven waves in the low solar atmospheric plasma is performed and the implication of partial ionization for the energy flux is discussed.

  20. Dynamics and structural changes of small water clusters on ionization.

    PubMed

    Lee, Han Myoung; Kim, Kwang S

    2013-07-05

    Despite utmost importance in understanding water ionization process, reliable theoretical results of structural changes and molecular dynamics (MD) of water clusters on ionization have hardly been reported yet. Here, we investigate the water cations [(H2O)(n = 2-6)(+)] with density functional theory (DFT), Möller-Plesset second-order perturbation theory (MP2), and coupled cluster theory with single, double, and perturbative triple excitations [CCSD(T)]. The complete basis set limits of interaction energies at the CCSD(T) level are reported, and the geometrical structures, electronic properties, and infrared spectra are investigated. The characteristics of structures and spectra of the water cluster cations reflect the formation of the hydronium cation moiety (H3O(+)) and the hydroxyl radical. Although most density functionals fail to predict reasonable energetics of the water cations, some functionals are found to be reliable, in reasonable agreement with high-level ab initio results. To understand the ionization process of water clusters, DFT- and MP2-based Born-Oppenheimer MD (BOMD) simulations are performed on ionization. On ionization, the water clusters tend to have an Eigen-like form with the hydronium cation instead of a Zundel-like form, based on reliable BOMD simulations. For the vertically ionized water hexamer, the relatively stable (H2O)5(+) (5sL4A) cluster tends to form with a detached water molecule (H2O).

  1. (e,2e) ionization studies of diatomic & triatomic molecules

    NASA Astrophysics Data System (ADS)

    Nixon, Kate; Murray, Andrew; Kaiser, Christian; Al-Hagan, Ola; Colgan, James; Madison, Don

    2009-10-01

    (e,2e) studies yield the most detailed experimental data on electron impact ionization of atomic & molecular targets for comparison to quantum collision theories. Coincidence techniques are here used to measure the probability of ionization as a function of the incident electron scattering angle and angle of the electron ejected from the target. In Manchester we study this process at low energies, where the ionization probability is greatest & the interaction most complex. We recently considered ionization of simple molecules (eg H2 & H2O) from a coplanar geometry to the perpendicular plane[1-4], and have discovered the interaction is far more complex than for ionization of atoms [5]. We here present comparisons between theory & experiment, and discuss new methods we intend to implement to study ionization from laser-aligned atoms & molecules. References. [1] J Colgan et al Phys Rev Lett 101 233201 (2008) [2] O Al-Hagan et al Nature Physics 5 59 (2009) [3] J Colgan et al Phys Rev A 79 052704 (2009) [4] C Kaiser et al J Phys B 40 2563 (2007) [5] A J Murray et al J Phys B 36 4875 (2003) & references therein

  2. Measuring Ionization in Highly Compressed, Near-Degenerate Plasmas

    NASA Astrophysics Data System (ADS)

    Doeppner, Tilo; Kraus, D.; Neumayer, P.; Bachmann, B.; Collins, G. W.; Divol, L.; Kritcher, A.; Landen, O. L.; Pak, A.; Weber, C.; Fletcher, L.; Glenzer, S. H.; Falcone, R. W.; Saunders, A.; Chapman, D.; Baggott, R.; Gericke, D. O.; Yi, A.

    2016-10-01

    A precise knowledge of ionization at given temperature and density is required to accurately model compressibility and heat capacity of materials at extreme conditions. We use x-ray Thomson scattering to characterize the plasma conditions in plastic and beryllium capsules near stagnation in implosion experiments at the National Ignition Facility. We expect the capsules to be compressed to more than 20x and electron densities approaching 1025 cm-3, corresponding to a Fermi energy of 170 eV. Zinc Heα x-rays (9 keV) scattering at 120° off the plasma yields high sensitivity to K-shell ionization, while at the same time constraining density and temperature. We will discuss recent results in the context of ionization potential depression at these extreme conditions. This work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

  3. Mass-Analyzed Threshold Ionization of LaO2

    NASA Astrophysics Data System (ADS)

    Wu, Lu; Zhang, Changhua; Krasnokutski, Sergiy; Yang, Dong-Sheng

    2010-06-01

    Lanthanum oxide, LaO2, is produced in a pulsed laser-vaporization metal-cluster source and studied by mass-analyzed threshold ionization (MATI) spectroscopy. From the MATI spectrum, the adiabatic ionization energy of LaO2 is determined to be 40134 (5) Cm-1 or 4.976 (6) eV, and La+-O stretching and O-La+-O bending frequencies are measured as 656 and 120 Cm-1. The measured ionization energy is about 3.0 eV lower than the value predicted by recent high-level ab initio calculations. In this talk, we will discuss the discrepancy between the experiment and theory and the electronic transition observed in our experiment. T. K. Todorova, I. Infante, L. Gagliardi, and J. M. Dyke, J. Phys. Chem. A 112, 7825 (2008).

  4. Global model including multistep ionizations in helium plasmas

    NASA Astrophysics Data System (ADS)

    Oh, Seung-Ju; Lee, Hyo-Chang; Chung, Chin-Wook

    2016-12-01

    Particle and power balance equations including stepwise ionizations are derived and solved in helium plasmas. In the balance equations, two metastable states (21S1 in singlet and 23S1 triplet) are considered and the followings are obtained. The plasma density linearly increases and the electron temperature is relatively in a constant value against the absorbed power. It is also found that the contribution to multi-step ionization with respect to the single-step ionization is in the range of 8%-23%, as the gas pressure increases from 10 mTorr to 100 mTorr. Compared to the results in the argon plasma, there is little variation in the collisional energy loss per electron-ion pair created (ɛc) with absorbed power and gas pressure due to the small collision cross section and higher inelastic collision threshold energy.

  5. Equation of state of partially ionized argon plasma

    SciTech Connect

    Chen, Q. F.; Zheng, J.; Gu, Y. J.; Chen, Y. L.; Cai, L. C.

    2011-11-15

    The ionization degree, Hugoniots, and equation of state of partially ionized argon plasma were calculated by using self-consistent fluid variational theory for temperature of 6-50 kK and density of 0.05-4.0 g/cm{sup 3}. The corrections of lowering of ionization energy of fluid argon caused by the interactions among all particles of Ar, Ar{sup +}, Ar{sup 2+}, and e have been taken into consideration in terms of the correlation contributions to the chemical potential which is determined self-consistently by the free energy function. The initial density effects of gas argon under shock compression have been discussed. Comparison is performed with available shock-wave experiments and other theoretical calculations.

  6. Energy

    DTIC Science & Technology

    2003-01-01

    Canada, Britain, and Spain. We found that the energy industry is not in crisis ; however, U.S. government policies, laws, dollars, and even public...CEIMAT (Centro de Investagaciones Energeticas , Medioambeintales y Tecnologicas) Research and development Page 3 of 28ENERGY 8/10/04http://www.ndu.edu...procurement or storage of standard, common use fuels. NATURAL GAS Natural gas, abundant globally and domestically, offers energy versatility among

  7. The role of partial ionization effects in the chromosphere

    PubMed Central

    Martínez-Sykora, Juan; De Pontieu, Bart; Hansteen, Viggo; Carlsson, Mats

    2015-01-01

    The energy for the coronal heating must be provided from the convection zone. However, the amount and the method by which this energy is transferred into the corona depend on the properties of the lower atmosphere and the corona itself. We review: (i) how the energy could be built in the lower solar atmosphere, (ii) how this energy is transferred through the solar atmosphere, and (iii) how the energy is finally dissipated in the chromosphere and/or corona. Any mechanism of energy transport has to deal with the various physical processes in the lower atmosphere. We will focus on a physical process that seems to be highly important in the chromosphere and not deeply studied until recently: the ion–neutral interaction effects in the chromosphere. We review the relevance and the role of the partial ionization in the chromosphere and show that this process actually impacts considerably the outer solar atmosphere. We include analysis of our 2.5D radiative magnetohydrodynamic simulations with the Bifrost code (Gudiksen et al. 2011 Astron. Astrophys. 531, A154 (doi:10.1051/0004-6361/201116520)) including the partial ionization effects on the chromosphere and corona and thermal conduction along magnetic field lines. The photosphere, chromosphere and transition region are partially ionized and the interaction between ionized particles and neutral particles has important consequences on the magneto-thermodynamics of these layers. The partial ionization effects are treated using generalized Ohm's law, i.e. we consider the Hall term and the ambipolar diffusion (Pedersen dissipation) in the induction equation. The interaction between the different species affects the modelled atmosphere as follows: (i) the ambipolar diffusion dissipates magnetic energy and increases the minimum temperature in the chromosphere and (ii) the upper chromosphere may get heated and expanded over a greater range of heights. These processes reveal appreciable differences between the modelled

  8. The role of partial ionization effects in the chromosphere.

    PubMed

    Martínez-Sykora, Juan; De Pontieu, Bart; Hansteen, Viggo; Carlsson, Mats

    2015-05-28

    The energy for the coronal heating must be provided from the convection zone. However, the amount and the method by which this energy is transferred into the corona depend on the properties of the lower atmosphere and the corona itself. We review: (i) how the energy could be built in the lower solar atmosphere, (ii) how this energy is transferred through the solar atmosphere, and (iii) how the energy is finally dissipated in the chromosphere and/or corona. Any mechanism of energy transport has to deal with the various physical processes in the lower atmosphere. We will focus on a physical process that seems to be highly important in the chromosphere and not deeply studied until recently: the ion-neutral interaction effects in the chromosphere. We review the relevance and the role of the partial ionization in the chromosphere and show that this process actually impacts considerably the outer solar atmosphere. We include analysis of our 2.5D radiative magnetohydrodynamic simulations with the Bifrost code (Gudiksen et al. 2011 Astron. Astrophys. 531, A154 (doi:10.1051/0004-6361/201116520)) including the partial ionization effects on the chromosphere and corona and thermal conduction along magnetic field lines. The photosphere, chromosphere and transition region are partially ionized and the interaction between ionized particles and neutral particles has important consequences on the magneto-thermodynamics of these layers. The partial ionization effects are treated using generalized Ohm's law, i.e. we consider the Hall term and the ambipolar diffusion (Pedersen dissipation) in the induction equation. The interaction between the different species affects the modelled atmosphere as follows: (i) the ambipolar diffusion dissipates magnetic energy and increases the minimum temperature in the chromosphere and (ii) the upper chromosphere may get heated and expanded over a greater range of heights. These processes reveal appreciable differences between the modelled atmospheres

  9. An Introduction to Multiphoton Ionization and Study of Ionization Rate of Hydrogen Atom

    SciTech Connect

    Shrestha, N.; Nakarmi, J. J.; Jha, L. N.

    2009-04-19

    From a semiclassical point of view, we discuss the problem of nonlinear interaction between electromagnetic radiation and atoms. The time-dependent Schroedinger equation for single electron systems is solved using perturbative technique to obtain transition probability. We also discuss higher order perturbation used in multiple processes where two or more quanta are emitted instead of a single photon. The approach is based on the assumption that the perturbation is small. From the transition probability ionization rate and absorption, the cross-section of hydrogen atoms is calculated. Variation in photon energy and field strength is analyzed. Variation of cross-section with photon energy is discussed.

  10. Zero-Net-Charge Air Ionizer

    NASA Technical Reports Server (NTRS)

    Woods, W. R., Jr.

    1985-01-01

    Instrument monitors air supplied by air ionizer and regulates ionizer to ensure net charge neutral. High-impedance electrometer and nulling control amplifier regulate output of air ionizer. Primarily intended to furnish ionized air having no net charge, instrument adaptable to generating air with positive or negative net charge is so desired. Useful where integrated circuit chips are manufactured, inspected, tested or assembled.

  11. Few-cycle attosecond pulse chirp effects on asymmetries in ionized electron momentum distributions

    SciTech Connect

    Peng Liangyou; Tan Fang; Gong Qihuang; Pronin, Evgeny A.; Starace, Anthony F.

    2009-07-15

    The momentum distributions of electrons ionized from H atoms by chirped few-cycle attosecond pulses are investigated by numerically solving the time-dependent Schroedinger equation. The central carrier frequency of the pulse is chosen to be 25 eV, which is well above the ionization threshold. The asymmetry (or difference) in the yield of electrons ionized along and opposite to the direction of linear laser polarization is found to be very sensitive to the pulse chirp (for pulses with fixed carrier-envelope phase), both for a fixed electron energy and for the energy-integrated yield. In particular, the larger the pulse chirp, the larger the number of times the asymmetry changes sign as a function of ionized electron energy. For a fixed chirp, the ionized electron asymmetry is found to be sensitive also to the carrier-envelope phase of the few-cycle pulse.

  12. Ionization photophysics and spectroscopy of dicyanoacetylene

    SciTech Connect

    Leach, Sydney E-mail: Martin.Schwell@lisa.u-pec.fr; Champion, Norbert; Schwell, Martin E-mail: Martin.Schwell@lisa.u-pec.fr; Bénilan, Yves; Fray, Nicolas; Gazeau, Marie-Claire; Garcia, Gustavo A.; Gaie-Levrel, François; Guillemin, Jean-Claude

    2013-11-14

    Photoionization of dicyanoacetylene was studied using synchrotron radiation over the excitation range 8–25 eV, with photoelectron-photoion coincidence techniques. The absolute ionization cross-section and detailed spectroscopic aspects of the parent ion were recorded. The adiabatic ionization energy of dicyanoacetylene was measured as 11.80 ± 0.01 eV. A detailed analysis of the cation spectroscopy involves new aspects and new assignments of the vibrational components to excitation of the quasi-degenerate A{sup 2}Π{sub g}, B{sup 2}Σ{sub g}{sup +} states as well as the C{sup 2}Σ{sub u}{sup +} and D{sup 2}Π{sub u} states of the cation. Some of the structured autoionization features observed in the 12.4–15 eV region of the total ion yield spectrum were assigned to vibrational components of valence shell transitions and to two previously unknown Rydberg series converging to the D{sup 2}Π{sub u} state of C{sub 4}N{sub 2}{sup +}. The appearance energies of the fragment ions C{sub 4}N{sup +}, C{sub 3}N{sup +}, C{sub 4}{sup +}, C{sub 2}N{sup +}, and C{sub 2}{sup +} were measured and their heats of formation were determined and compared with existing literature values. Thermochemical calculations of the appearance potentials of these and other weaker ions were used to infer aspects of dissociative ionization pathways.

  13. Code of Practice for the Use of Ionizing Radiations in Secondary Schools.

    ERIC Educational Resources Information Center

    National Health and Medical Research Council, Canberra (Australia).

    The appreciation of the potential hazard of ionizing radiation led to the setting up of national, and later, international commissions for the defining of standards of protection for the occupationally exposed worker in the use of ionizing radiation. However, in the last twenty years, with the large scale development of nuclear energy, the need…

  14. INDUSTRIAL EFFLUENT TREATMENT USING IONIZING RADIATION COMBINED TO TITANIUM DIOXIDE

    SciTech Connect

    Duarte, C.L.; Oikawa, H.; Mori, M.N.; Sampa, M.H.O.

    2004-10-04

    The Advanced Oxidation Process (AOP) with OH radicals are the most efficient to mineralize organic compounds, and there are various methods to generate OH radicals as the use of ozone, hydrogen peroxide and ultra-violet radiation and ionizing radiation. The irradiation of aqueous solutions with high-energy electrons results in the excitation and ionizing of the molecules and rapid (10{sup -14} - 10{sup -9} s) formation of reactive intermediates. These reactive species will react with organic compounds present in industrial effluent inducing their decomposition. Titanium dioxide (TiO{sub 2}) catalyzed photoreaction is used to remove a wide range of pollutants in air and water media, combined to UV/VIS light, FeO{sub 2}, and H{sub 2}O{sub 2}, but as far as known there is no report on the combination with ionizing radiation. In some recent studies, the removal of organic pollutants in industrial effluent, such as Benzene, Toluene, and Xylene from petroleum production using ionizing radiation was investigated. It has been ob served that none of the methods can be used individually in wastewater treatment applications with good economics and high degree of energy efficiency. In the present work, the efficiency of ionizing radiation in presence of TiO{sub 2} to treat industrial effluent was evaluated. The main aim to combine these technologies is to improve the efficiency for very hard effluents and to reduce the processing cost for future implementation to large-scale design.

  15. Electron impact ionization of highly charged lithiumlike ions

    SciTech Connect

    Wong, K L

    1992-10-01

    Electron impact ionization cross sections can provide valuable information about the charge-state and power balance of highly charged ions in laboratory and astrophysical plasmas. In the present work, a novel technique based on x-ray measurements has been used to infer the ionization cross section of highly charged lithiumlike ions on the Livermore electron beam ion trap. In particular, a correspondence is established between an observed x ray and an ionization event. The measurements are made at one energy corresponding to approximately 2.3 times the threshold energy for ionization of lithiumlike ions. The technique is applied to the transition metals between Z=22 (titanium, Ti[sup 19+]) and Z=26 (iron, Fe[sup 23+]) and to Z=56 (barium, Ba[sup 53+]). The results for the transition metals, which have an estimated 17-33% uncertainty, are in good overall agreement with a relativistic distorted-wave calculation. However, less good agreement is found for barium, which has a larger uncertainty. Methods for properly accounting for the polarization in the x-ray intensities and for inferring the charge-state abundances from x-ray observations, which were developed for the ionization measurements, as well as an x-ray model that assists in the proper interpretation of the data are also presented.

  16. Fractal dynamics in the ionization of helium Rydberg atoms

    NASA Astrophysics Data System (ADS)

    Xu, Xiulan; Zhang, Yanhui; Cai, Xiangji; Zhao, Guopeng; Kang, Lisha

    2016-11-01

    We study the ionization of helium Rydberg atoms in an electric field above the classical ionization threshold within the semiclassical theory. By introducing a fractal approach to describe the chaotic dynamical behavior of the ionization, we identify the fractal self-similarity structure of the escape time versus the distribution of the initial launch angles of electrons, and find that the self-similarity region shifts toward larger initial launch angles with a decrease in the scaled energy. We connect the fractal structure of the escape time plot to the escape dynamics of ionized electrons. Of particular note is that the fractal dimensions are sensitively controlled by the scaled energy and magnetic field, and exhibit excellent agreement with the chaotic extent of the ionization systems for both helium and hydrogen Rydberg atoms. It is shown that, besides the electric and magnetic fields, core scattering is a primary factor in the fractal dynamics. Project supported by the Natural Science Foundation of Shandong Province, China (Grant No. ZR2014AM030).

  17. Interference oscillations in the angular distribution of laser-ionized electrons near ionization threshold.

    PubMed

    Arbó, D G; Yoshida, S; Persson, E; Dimitriou, K I; Burgdörfer, J

    2006-04-14

    We analyze the two-dimensional momentum distribution of electrons ionized by few-cycle laser pulses in the transition regime from multiphoton absorption to tunneling by solving the time-dependent Schrödinger equation and by a classical-trajectory Monte-Carlo simulation with tunneling (CTMC-T). We find a complex two-dimensional interference pattern that resembles above threshold ionization (ATI) rings at higher energies and displays Ramsauer-Townsend-type diffraction oscillations in the angular distribution near threshold. CTMC-T calculations provide a semiclassical explanation for the dominance of selected partial waves. While the present calculation pertains to hydrogen, we find surprising qualitative agreement with recent experimental data for rare gases [A. Rudenko, J. Phys. B 37, L407 (2004)].

  18. Mass-Analyzed Threshold Ionization Spectroscopy of 2-Phenylethanol: Probing of Conformational Changes Caused by Ionization

    NASA Astrophysics Data System (ADS)

    Georgiev, S.; Karaminkov, R.; Chervenkov, S.; Delchev, V.; Neusser, H. J.

    2009-10-01

    The vibrational structure of the ionic ground state of different conformers of the biologically relevant molecule 2-phenylethanol has been investigated by combination of two-photon two-color mass-analyzed threshold ionization spectroscopy (MATI) and quantum chemical calculations at M05, MP2, and coupled cluster (CC) levels of theory with extended basis sets. MATI spectra recorded via gauche vibronic bands are with poor structure and increasing background, whereas the ones measured via vibronic bands of the anti conformers feature well-resolved vibronic structure in the cation. Ab initio computations predict three stable conformers for the 2-phenylethanol cation out of five initial neutral structures. None of the theoretical structures in the cation features a nonclassical OH···π hydrogen bond in conjunction with the analysis of the MATI spectra. This provides clear evidence that the OH···π hydrogen bond stabilizing the lowest-energy gauche conformer in the neutral breaks upon ionization.

  19. Single and double ionization of magnesium by electron impact: A classical study

    NASA Astrophysics Data System (ADS)

    Dubois, J.; Berman, S. A.; Chandre, C.; Uzer, T.

    2017-02-01

    We consider electron impact-driven single and double ionization of magnesium in the energy range of 10 to 100 eV. Our classical Hamiltonian model of these (e ,2 e ) and (e ,3 e ) processes sheds light on their total cross sections and reveals the underlying ionization mechanisms. Two pathways are at play in single ionization: delayed and direct. In contrast, only the direct process is observed in double ionization, ruling out the excitation-autoionization channel. We also provide evidence that the so-called Two-Step 2 mechanism predominates over the Two-Step 1 mechanism, in agreement with experiments.

  20. Influence of ionization on ultrafast gas-based nonlinear fiber optics.

    PubMed

    Chang, W; Nazarkin, A; Travers, J C; Nold, J; Hölzer, P; Joly, N Y; Russell, P St J

    2011-10-10

    We numerically investigate the effect of ionization on ultrashort high-energy pulses propagating in gas-filled kagomé-lattice hollow-core photonic crystal fibers by solving an established uni-directional field equation. We consider the dynamics of two distinct regimes: ionization induced blue-shift and resonant dispersive wave emission in the deep-UV. We illustrate how the system evolves between these regimes and the changing influence of ionization. Finally, we consider the effect of higher ionization stages.