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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. Accuracy of Calculated Chemical Shifts in Carbon 1s Ionization Energies from Single-Reference ab Initio Methods and Density Functional Theory.

    PubMed

    Holme, Alf; Børve, Knut J; Sæthre, Leif J; Thomas, T Darrah

    2011-12-13

    A database of 77 adiabatic carbon 1s ionization energies has been prepared, covering linear and cyclic alkanes and alkenes, linear alkynes, and methyl- or fluoro-substituted benzenes. Individual entries are believed to carry uncertainties of less than 30 meV in ionization energies and less than 20 meV for shifts in ionization energies. The database provides an unprecedented opportunity for assessing the accuracy of theoretical schemes for computing inner-shell ionization energies and their corresponding chemical shifts. Chemical shifts in carbon 1s ionization energies have been computed for all molecules in the database using Hartree-Fock, Møller-Plesset (MP) many-body perturbation theory of order 2 and 3 as well as various approximations to full MP4, and the coupled-cluster approximation with single- and double-excitation operators (CCSD) and also including a perturbational estimate of the energy effect of triple-excitation operators (CCSD(T)). Moreover, a wide range of contemporary density functional theory (DFT) methods are also evaluated with respect to computing experimental shifts in C1s ionization energies. Whereas the top ab initio methods reproduce the observed shifts almost to within the experimental uncertainty, even the best-performing DFT approaches meet with twice the root-mean-squared error and thrice the maximum error compared to CCSD(T). However, a number of different density energy functionals still afford sufficient accuracy to become tools in the analysis of complex C1s photoelectron spectra. PMID:26598356

  3. 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. PMID:25615325

  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. N1s and O1s double ionization of the NO and N2O molecules

    NASA Astrophysics Data System (ADS)

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

    2014-01-01

    Single-site N1s and O1s double core ionisation of the NO and N2O 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-2) and 1179.4 eV (O1s-2). The corresponding energies obtained for N2O are 896.9 eV (terminal N1s-2), 906.5 eV (central N1s-2), and 1174.1 eV (O1s-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 N2O, associated with the decay of the terminal and central N1s-2 as well as with the O1s-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 × 10-3 for nitrogen at 1100 eV and as 1.3 × 10-3 for oxygen at 1300 eV.

  6. 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.

  7. N1s and O1s double ionization of the NO and N2O molecules.

    PubMed

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

    2014-01-28

    Single-site N1s and O1s double core ionisation of the NO and N2O 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(-2)) and 1179.4 eV (O1s(-2)). The corresponding energies obtained for N2O are 896.9 eV (terminal N1s(-2)), 906.5 eV (central N1s(-2)), and 1174.1 eV (O1s(-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 N2O, associated with the decay of the terminal and central N1s(-2) as well as with the O1s(-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(-3) for nitrogen at 1100 eV and as 1.3 × 10(-3) for oxygen at 1300 eV. PMID:25669525

  8. 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…

  9. 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.

  10. Two-photon excitation/ionization of the 1s-shell of the argon atom

    NASA Astrophysics Data System (ADS)

    Novikov, S. A.; Hopersky, A. N.

    2002-02-01

    The absolute values and the shape of the two-photon excitation/ionization cross section of the 1s-shell of the argon atom are calculated with inclusion of the many-particle effects, i.e., the relaxation of the atomic residue in the field of the vacancies created, and the decay of the vacancies into the channels of Auger and (or) radiative types. The wavefunctions of the one-particle states are calculated in non-relativistic approximation. The calculations are performed for both linear and circular polarization of the laser beam.

  11. Experimental and theoretical study of three-photon ionization of He(1s2p3Po)

    NASA Astrophysics Data System (ADS)

    Génévriez, Matthieu; Urbain, Xavier; Brouri, Mohand; O'Connor, Aodh P.; Dunseath, Kevin M.; Terao-Dunseath, Mariko

    2014-05-01

    A joint experimental and theoretical study of three-photon ionization of the 1s2p3Po(ML=0,±1) states of helium is presented. The ion yield is recorded in the 690-730 nm wavelength range for different laser pulse energies, using an excited helium beam produced by photodetachment of helium negative ions. Two series of asymmetric peaks due to two-photon resonances with 1snp and 1snf Rydberg states are observed. In one series, the peaks have tails towards higher frequencies, while in the other series the tails change direction for higher Rydberg states. An effective Hamiltonian is built in the dressed state picture, and a numerical model simulating the traversal of the helium atom across the laser pulse is developed. The simulated and observed ion yields are in good qualitative agreement. The observed behavior is shown to result from the contributions of two different resonantly enhanced multiphoton ionization processes, depending on the magnetic quantum number ML of the initial state. The asymmetry reversal is explained by the strong 1s2p-1s3s dynamic Stark mixing for ML=0.

  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. Time-dependent multiphoton ionization from the He 1s2s ? metastable state

    NASA Astrophysics Data System (ADS)

    Nicolaides, Cleanthes A.; Dionissopoulou, Stavroula; Mercouris, Theodoros

    1996-01-01

    Using the state-specific expansion approach to the solution of the time-dependent Schrödinger equation, we calculated a number of observables from the response of the He 0953-4075/29/2/012/img2 metastable state to strong as well as to weak laser pulses. The photon energies (0953-4075/29/2/012/img3) were 1 eV, 2 eV, 2.47 eV and 3 eV, and the intensities (I) covered the range from 0953-4075/29/2/012/img4 to 0953-4075/29/2/012/img5. For the weak intensities, the results are in full accord with the experimental findings of Haberland and co-workers. For the strong intensities, our predictions are of quantitative as well as of qualitative value. They permit conclusions about the fingerprints left on observable spectra by electron correlation, by Rydberg levels and by doubly excited states and about the extent to which high harmonics of short wavelength can be produced as a function of I and 0953-4075/29/2/012/img6 when the initial state lies above the ground state. Finally, we argue that calculations of harmonic spectra based on the use of the acceleration form of the dipole operator will produce, in general, unreliable results even when some correlations are accounted for.

  14. The ionization energy of C2.

    PubMed

    Krechkivska, O; Bacskay, G B; Welsh, B A; Nauta, K; Kable, S H; Stanton, J F; Schmidt, T W

    2016-04-14

    Resonant two-photon threshold ionization spectroscopy is employed to determine the ionization energy of C2 to 5 meV precision, about two orders of magnitude more precise than the previously accepted value. Through exploration of the ionization threshold after pumping the 0-3 band of the newly discovered 4(3)Πg←a(3)Πu band system of C2, the ionization energy of the lowest rovibronic level of the a(3)Πu state was determined to be 11.791(5) eV. Accounting for spin-orbit and rotational effects, we calculate that the ionization energy of the forbidden origin of the a(3)Πu state is 11.790(5) eV, in excellent agreement with quantum thermochemical calculations which give 11.788(10) eV. The experimentally derived ionization energy of X(1)Σg (+) state C2 is 11.866(5) eV. PMID:27083719

  15. The ionization energy of C2

    NASA Astrophysics Data System (ADS)

    Krechkivska, O.; Bacskay, G. B.; Welsh, B. A.; Nauta, K.; Kable, S. H.; Stanton, J. F.; Schmidt, T. W.

    2016-04-01

    Resonant two-photon threshold ionization spectroscopy is employed to determine the ionization energy of C2 to 5 meV precision, about two orders of magnitude more precise than the previously accepted value. Through exploration of the ionization threshold after pumping the 0-3 band of the newly discovered 43Πg←a3Πu band system of C2, the ionization energy of the lowest rovibronic level of the a3Πu state was determined to be 11.791(5) eV. Accounting for spin-orbit and rotational effects, we calculate that the ionization energy of the forbidden origin of the a3Πu state is 11.790(5) eV, in excellent agreement with quantum thermochemical calculations which give 11.788(10) eV. The experimentally derived ionization energy of X1Σg+ state C2 is 11.866(5) eV.

  16. 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…

  17. 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.

  18. Anomalous elastic scattering of linearly polarized X-ray radiation by multicharged atomic ions in the range of the ionization threshold of the 1 s-shell

    NASA Astrophysics Data System (ADS)

    Hopersky, A. N.; Novikov, S. A.; Chuvenkov, V. V.

    2002-04-01

    The absolute values and shape of differential cross-section of the process of the anomalous elastic scattering for non-zero angle are investigated within non-relativistic approximation for linearly polarized X-ray radiation scattered by multicharged atomic ions Ne 6+ in the range of the ionization threshold of 1 s-shell. The many-particle effects of radial rearrangement of electron shells in the field of an inner 1 s-vacancy and the effect of vacancy stabilization are taken into account. The results of the work are predictions.

  19. Isotope shifts of the 1s{sup 2}2s{sup 2}({sup 1}S{sub 0}) {yields} 1s{sup 2}2p{sup 2}({sup 1}S{sub 0}) transition in the doubly ionized carbon ion C{sup 2+}

    SciTech Connect

    Bubin, Sergiy; Komasa, Jacek; Stanke, Monika; Adamowicz, Ludwik

    2010-05-15

    Highly accurate quantum mechanical calculations are performed for the 1s{sup 2}2s{sup 2} ({sup 1}S{sub 0}) {yields} 1s{sup 2}2p{sup 2} ({sup 1}S{sub 0}) transition energy in the isotopomers of C{sup 2+} ion to determine the isotope shifts. Explicitly correlated Gaussian functions and a variational approach that explicitly includes the nuclear motion are employed in the calculations. The leading relativistic and quantum electrodynamics corrections to the transition energy are also calculated using the perturbation theory with the nonrelativistic wave function as the zero-order approximation. It is determined that the {sup 12}C{sup 2+} transitions energy, which is obtained from the calculations to be 182 519.031 cm{sup -1} (vs the experimental value of 182 519.88 cm{sup -1}, an excellent sub-wave-number agreement) up-shifts by 1.755 cm{sup -1} for {sup 13}C{sup 2+} and by additional 1.498 cm{sup -1} for {sup 14}C{sup 2+}. Those shifts are sufficiently large to be measured experimentally.

  20. Accurate variational calculations of the ground 2Po(1s22s22p) and excited 2S(1s22s2p2) and 2Po(1s22s23p) states of singly ionized carbon atom.

    PubMed

    Bubin, Sergiy; Adamowicz, Ludwik

    2011-12-01

    In this article we report accurate nonrelativistic variational calculations of the ground and two excited states of C(+) ion. We employ extended and well optimized basis sets of all-electron explicitly correlated Gaussians to represent the wave functions of the states. The optimization of the basis functions is performed with a procedure employing the analytic gradient of the energy with respect to the nonlinear parameters of the Gaussians. The calculations explicitly include the effects due to the finite nuclear mass. The calculated transition energies between the three states are compared to the experimentally derived values. Finally, we present expectation values of some small positive and negative powers of the interparticle distances and contact densities. PMID:22149776

  1. Isoelectronic sequence fits to configuration-averaged photoionization cross sections and ionization energies

    SciTech Connect

    Clark, R.E.H.; Cowan, R.D.; Bobrowicz, F.W.

    1986-05-01

    Hartree--Fock wave functions have been used to calculate configuration -averaged photoionization cross sections and ionization energies for orbitals 1s< or =nl< or =5g in He-like through Al-like isoelectroni csequences. The photoionization cross sections have been fitted as a function of the nuclear charge, Z, and photon energy, X, in threshold units, with average error of less than 10%. The ionization energies have been fitted as a function of Z with errors of less than 0.5%

  2. Atomic ionization by neutrinos at low energies

    NASA Astrophysics Data System (ADS)

    Liu, Cheng-Pang

    2016-05-01

    It is well-known that neutrino-electron scattering at low recoil energies provides sensitivity gain in constraining neutrinos’ magnetic moments and their possible milli-charges. However, in detectors with sub-keV thresholds, the binding effects of electrons become significant. In this talk, we present our recent works of applying ab initio calculations to germanium ionization by neutrinos at low energies. Compared with the conventional differential cross section formulae that were used to derive current experimental bounds, our results with less theoretical uncertainties set a more reliable bound on the neutrino magnetic moment and a more stringent bound on the neutrino milli-charge with current reactor antineutrino data taken from germanium detectors.

  3. Ionization and Fragmentation of DCOOD Induced by Synchrotron Radiation at the Oxygen 1s Edge: The Role of Dimer Formation.

    PubMed

    Arruda, Manuela S; Medina, Aline; Sousa, Josenilton N; Mendes, Luiz A V; Marinho, Ricardo R T; Prudente, Frederico V

    2016-07-14

    The ionization and photofragmentation of molecules in the core region has been widely investigated for monomers and dimers of organic molecules in the gas phase. In this study, we used synchrotron radiation to excite electrons of the oxygen K-edge in an effusive molecular beam of doubly deuterated formic acid. We used time-of-flight mass spectrometry and employed the spectroscopic techniques photoelectron-photoion coincidence and photoelectron photoion-photoion coincidence to obtain spectra of single and double coincidences at different pressures. Our results indicate the presence of ions and ion pairs that have charge-to-mass ratio higher than the monomer DCOOD, as the (DCOOD)·D(+), and pairs (DCO(+), DCO(+)) and (CO(+), DCO(+)). Comparing the spectra obtained for different pressures we can ascertain that these ions are formed by the fragmentation of DCOOD dimers. PMID:27116397

  4. Atomic polarizability, volume and ionization energy

    NASA Astrophysics Data System (ADS)

    Politzer, Peter; Jin, Ping; Murray, Jane S.

    2002-11-01

    Our primary focus in this work has been upon the relationship between atomic polarizability and volume, although we also looked at the role of ionization energy. For approximating volumes in this context, we tried ten different measures of atomic radii, based upon both empirical and theoretical criteria. Our results confirm that the polarizability can be expressed, to good accuracy, as directly proportional to the volume alone, provided that an appropriate set of radii is used. Most effective for the present purpose are (a) the distances to the outermost maxima of the orbital radial densities and (b) outermost orbital values. Our data also support an earlier prediction that the correlation would be enhanced by the inclusion of a slowly varying periodic function of the nuclear charge.

  5. 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.

  6. Paths and ionization losses of proton energy in different substances

    SciTech Connect

    Vasilovskiy, I.M.; Karpov, I.I.; Petrukhin, V.I.; Prokoshkin, Yu.D.

    1986-02-14

    Ionization energy losses of charged particles in a substance are described by the well-known Bethe-Bloch formula. However, the magnitudes of the ionization potentials in region of low proton energies (E < 100 MeV) for heavy elements prove to be considerably larger than those at high energies. Thus, studies of ionization losses in the region of high energies are the main source of the experimental information necessary for the correction of the Bethe-Bloch formula and determination of magnitudes of ionization potentials I. The purpose of this work was to measure the magnitudes of ionization losses dE/ds, paths R and ionization potentials I at a proton energy of E 670 MeV. The measurements were taken by the relative method for different substances of x, and the magnitudes of q sub x=(dE/ds) sub x/(dE/ds) sub Al and px=R sub x/R sub Al were found. Quantities qx and px weakly depend on the energy E where at E=200-600 MeV, a=(2-4).10-2 for different substances. The proton energy was determined with an accuracy of 2 MeV.

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

    SciTech Connect

    Niskanen, J.; Norman, P.; Aksela, H.; Aagren, 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 {approx}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.

  8. 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)

  9. 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

  10. 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…

  11. 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.

  12. Calculations of hydrogen atom multiphoton energy level shifts, transition amplitudes and ionization probabilities

    NASA Astrophysics Data System (ADS)

    Whitney, K. G.; Chang, C. S.

    2008-07-01

    Analyses of the resonant multiphoton ionization of atoms require knowledge of ac Stark energy shifts and of multiphoton, bound-to-bound state, transition amplitudes. In this paper, we consider the three-photon photoionization of hydrogen atoms at frequencies that are at and surrounding the two-photon 1s to 2s resonance. AC energy shift sums of both the 1s and 2s states are calculated as a function of the laser frequency along with two-photon 1s → 2s resonant transition amplitude sums. These quantities are calculated using an extended version of a method, which has often been employed in a variety of ways, of calculating these sums by expressing them in terms of solutions to a variety of differential equations that are derived from the different sums being evaluated. We demonstrate how exact solutions are obtained to these differential equations, which lead to exact evaluations of the corresponding sums. A variety of different cases are analysed, some involving analytic continuation, some involving real number analysis and some involving complex number analysis. A dc Stark sum calculation of the 2s state is carried out to illustrate the case where analytic continuation, pole isolation and pole subtraction are required and where the calculation can be carried out analytically; the 2s state, ac Stark shift sum calculations involve a case where no analytic continuation is required, but where the solution to the differential equation produces complex numbers owing to the finite photoionization lifetime of the 2s state. Results from these calculations are then used to calculate three-photon ionization probabilities of relevance to an analysis of the multiphoton ionization data published by Kyrala and Nichols (1991 Phys. Rev. A 44, R1450).

  13. Low-energy electron-impact ionization of helium

    SciTech Connect

    Schow, E.; Hazlett, K.; Childers, J. G.; Medina, C.; Vitug, G.; Khakoo, M. A.; Bray, I.; Fursa, D. V.

    2005-12-15

    Normalized doubly differential cross sections for the electron-impact ionization of helium at low energies are presented. The data are taken at the incident electron energies of 26.3, 28.3, 30.3, 32.5, 34.3, 36.5, and 40.7 eV and for scattering angles of 10 deg. -130 deg. The measurements involve the use of the moveable target method developed at California State University Fullerton to accurately determine the continuum background in the energy-loss spectra. Normalization of experimental data is made on a relative scale to well-established experimental differential cross sections for excitation of the n=2 manifold of helium and then on an absolute scale to the well-established total ionization cross sections of Shah et al. [J. Phys. B 21, 2751 (1988)]. Comparisons are made with available experimental data and the results of the convergent close-coupling theory.

  14. Hylleraas-configuration-interaction nonrelativistic energies for the 1S ground states of the beryllium isoelectronic sequence

    NASA Astrophysics Data System (ADS)

    Sims, James S.; Hagstrom, Stanley A.

    2014-06-01

    In a previous work, Sims and Hagstrom ["Hylleraas-configuration-interaction study of the 1 1S ground state of neutral beryllium," Phys. Rev. A 83, 032518 (2011)] reported Hylleraas-configuration-interaction (Hy-CI) method variational calculations for the 1S 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 1S isoelectronic sequence. The best nonrelativistic energies for Be, B+, and C++ 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.

  15. 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.

  16. 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...

  17. Precision measurement of the ionization energy of Cs i

    NASA Astrophysics Data System (ADS)

    Deiglmayr, Johannes; Herburger, Holger; Saßmannshausen, Heiner; Jansen, Paul; Schmutz, Hansjürg; Merkt, Frédéric

    2016-01-01

    We present absolute-frequency measurements for the transitions from the 6 s1 /2 ground state of 133Cs to n p1 /2 and n p3 /2 Rydberg states. The transition frequencies are determined by one-photon UV spectroscopy in ultracold samples of Cs atoms using a narrow-band laser system referenced to a frequency comb. From a global fit of the ionization energy EI and the quantum defects of the two series we determine an improved value of EI/h c =31 406.467 732 5 (14 ) cm-1 for the ionization energy of Cs with a relative uncertainty of 5 ×10-11 . We also report improved values for the quantum defects of the n p1 /2 , n p3 /2 , n s1 /2 , and n d5 /2 series.

  18. 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.

  19. Composite electron propagator methods for calculating ionization energies

    NASA Astrophysics Data System (ADS)

    Díaz-Tinoco, Manuel; Dolgounitcheva, O.; Zakrzewski, V. G.; Ortiz, J. V.

    2016-06-01

    Accurate ionization energies of molecules may be determined efficiently with composite electron-propagator (CEP) techniques. These methods estimate the results of a calculation with an advanced correlation method and a large basis set by performing a series of more tractable calculations in which large basis sets are used with simpler approximations and small basis sets are paired with more demanding correlation techniques. The performance of several CEP methods, in which diagonal, second-order electron propagator results with large basis sets are combined with higher-order results obtained with smaller basis sets, has been tested for the ionization energies of closed-shell molecules from the G2 set. Useful compromises of accuracy and computational efficiency employ complete-basis-set extrapolation for second-order results and small basis sets in third-order, partial third-order, renormalized partial-third order, or outer valence Green's function calculations. Analysis of results for vertical as well as adiabatic ionization energies leads to specific recommendations on the best use of regular and composite methods. Results for 22 organic molecules of interest in the design of photovoltaic devices, benzo[a]pyrene, Mg-octaethylporphyrin, and C60 illustrate the capabilities of CEP methods for calculations on large molecules.

  20. Composite electron propagator methods for calculating ionization energies.

    PubMed

    Díaz-Tinoco, Manuel; Dolgounitcheva, O; Zakrzewski, V G; Ortiz, J V

    2016-06-14

    Accurate ionization energies of molecules may be determined efficiently with composite electron-propagator (CEP) techniques. These methods estimate the results of a calculation with an advanced correlation method and a large basis set by performing a series of more tractable calculations in which large basis sets are used with simpler approximations and small basis sets are paired with more demanding correlation techniques. The performance of several CEP methods, in which diagonal, second-order electron propagator results with large basis sets are combined with higher-order results obtained with smaller basis sets, has been tested for the ionization energies of closed-shell molecules from the G2 set. Useful compromises of accuracy and computational efficiency employ complete-basis-set extrapolation for second-order results and small basis sets in third-order, partial third-order, renormalized partial-third order, or outer valence Green's function calculations. Analysis of results for vertical as well as adiabatic ionization energies leads to specific recommendations on the best use of regular and composite methods. Results for 22 organic molecules of interest in the design of photovoltaic devices, benzo[a]pyrene, Mg-octaethylporphyrin, and C60 illustrate the capabilities of CEP methods for calculations on large molecules. PMID:27305999

  1. 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.

  2. 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

    2014-12-01

    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. PMID:25390766

  3. 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.

  4. IONS (ANURADHA): Ionization states of low energy cosmic rays

    NASA Technical Reports Server (NTRS)

    Biswas, S.; Chakraborti, R.; Cowsik, R.; Durgaprasad, N.; Kajarekar, P. J.; Singh, R. K.; Vahia, M. N.; Yadav, J. S.; Dutt, N.; Goswami, J. N.

    1987-01-01

    IONS (ANURADHA), the experimental payload designed specifically to determine the ionization states, flux, composition, energy spectra and arrival directions of low energy (10 to 100 MeV/amu) anomalous cosmic ray ions of helium to iron in near-Earth space, had a highly successful flight and operation Spacelab-3 mission. The experiment combines the accuracy of a highly sensitive CR-39 nuclear track detector with active components included in the payload to achieve the experimental objectives. Post-flight analysis of detector calibration pieces placed within the payload indicated no measurable changes in detector response due to its exposure in spacelab environment. Nuclear tracks produced by alpha-particles, oxygen group and Fe ions in low energy anomalous cosmic rays were identified. It is calculated that the main detector has recorded high quality events of about 10,000 alpha-particles and similar number of oxygen group and heavier ions of low energy cosmic rays.

  5. 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.

  6. 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.

  7. Electron impact ionization of 5- and 6-chlorouracil: appearance energies

    NASA Astrophysics Data System (ADS)

    Denifl, S.; Ptasinska, S.; Gstir, B.; Scheier, P.; Märk, T. D.

    2004-03-01

    Electron impact ionization of the gas phase modified DNA/RNA bases 5- and 6-ClU was studied using a crossed electron/neutral beams technique in combination with a quadrupole mass spectrometer. 5- and 6-ClU belong to the class of halouracils which are used in radiation therapy to increase the effect of ionizing radiation to tumours, when they are incorporated into cancer tissue. Besides determining the mass spectra for both molecules at the electron energy of 70 eV, the ionization efficiency curves for each parent ion and the most abundant fragment ions were measured near the threshold and the corresponding appearance energies (AEs) were derived using an iterative, non-linear least square fitting procedure using the Marquart-Levenberg algorithm based on the Wannier threshold law. The most abundant cations observed in mass spectra have a threshold value of AE ((C3H2ClNO)+/5-ClU)=11.12+/-0.03 eV and AE ((C3H2NO)+/6-ClU)=12.06+/-0.03 eV. The present AE value for the parent ion of 5-ClU AE((5-ClU)+/5-ClU)=9.38+/-0.05 eV is in fair agreement with previous calculations at the B3LYP level of theory. The AE((6-ClU)+/6-ClU)=9.71+/-0.05 eV is 0.33 eV higher than that for 5-ClU.

  8. BRCA1-BARD1 complexes are required for p53Ser-15 phosphorylation and a G1/S arrest following ionizing radiation-induced DNA damage.

    PubMed

    Fabbro, Megan; Savage, Kienan; Hobson, Karen; Deans, Andrew J; Powell, Simon N; McArthur, Grant A; Khanna, Kum Kum

    2004-07-23

    BRCA1 is a major player in the DNA damage response. This is evident from its loss, which causes cells to become sensitive to a wide variety of DNA damaging agents. The major BRCA1 binding partner, BARD1, is also implicated in the DNA damage response, and recent reports indicate that BRCA1 and BARD1 co-operate in this pathway. In this report, we utilized small interfering RNA to deplete BRCA1 and BARD1 to demonstrate that the BRCA1-BARD1 complex is required for ATM/ATR (ataxia-telangiectasia-mutated/ATM and Rad3-related)-mediated phosphorylation of p53(Ser-15) following IR- and UV radiation-induced DNA damage. In contrast, phosphorylation of a number of other ATM/ATR targets including H2AX, Chk2, Chk1, and c-jun does not depend on the presence of BRCA1-BARD1 complexes. Moreover, prior ATM/ATR-dependent phosphorylation of BRCA1 at Ser-1423 or Ser-1524 regulates the ability of ATM/ATR to phosphorylate p53(Ser-15) efficiently. Phosphorylation of p53(Ser-15) is necessary for an IR-induced G(1)/S arrest via transcriptional induction of the cyclin-dependent kinase inhibitor p21. Consistent with these data, repressing p53(Ser-15) phosphorylation by BRCA1-BARD1 depletion compromises p21 induction and the G(1)/S checkpoint arrest in response to IR but not UV radia-tion. These findings suggest that BRCA1-BARD1 complexes act as an adaptor to mediate ATM/ATR-directed phosphorylation of p53, influencing G(1)/S cell cycle progression after DNA damage. PMID:15159397

  9. 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.

  10. Energy differential cross sections for F9+-impact single and double ionization of He

    NASA Astrophysics Data System (ADS)

    Pindzola, M. S.; Lee, T. G.; Colgan, J.

    2015-07-01

    Time-dependent close-coupling methods are used to calculate energy differential cross sections for the single and double ionization of He by impact with F9+ ions at 4.0 MeV amu-1. Single ionization energy differential cross sections using both a one active electron method and a two active electron method are compared with recent experimental results. Double ionization energy differential cross sections using a two active electron method are presented to guide future experiments.

  11. 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.

  12. 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

  13. Energy resolution of gas ionization chamber for high-energy heavy ions

    NASA Astrophysics Data System (ADS)

    Sato, Yuki; Taketani, Atsushi; Fukuda, Naoki; Takeda, Hiroyuki; Kameda, Daisuke; Suzuki, Hiroshi; Shimizu, Yohei; Nishimura, Daiki; Fukuda, Mitsunori; Inabe, Naohito; Murakami, Hiroyuki; Yoshida, Koichi; Kubo, Toshiyuki

    2014-01-01

    The energy resolution is reported for high-energy heavy ions with energies of nearly 340 MeV/nucleon and was measured using a gas ionization chamber filled with a 90%Ar/10%CH4 gas mixture. We observed that the energy resolution is proportional to the inverse of the atomic number of incident ions and to the inverse-square-root of the gas thickness. These results are consistent with the Bethe-Bloch formula for the energy loss of charged particles and the Bohr expression for heavy ion energy straggling. In addition, the influence of high-energy δ-rays generated in the detector on the energy deposition is discussed.

  14. On ionization energy losses of ultra-relativistic half-bare electron

    NASA Astrophysics Data System (ADS)

    Shul'ga, N. F.; Trofymenko, S. V.

    2012-11-01

    The problem of ionization energy losses of relativistic electron after its emission from substance into vacuum and subsequent traversal of thin dielectric plate is considered. It is shown that with the increase of distance between the plate and the substance the gradual increase of electron ionization energy losses in the plate from the value defined by Fermi formula to the value defined by Bethe-Bloch formula complemented by radiation contribution to ionization occurs. It is highlighted that such change of energy losses is defined by reconstruction of the field around the electron and may occur on macroscopic distances along its trajectory.

  15. Modeling the radiation ionization energy and energy resolution of trigonal and amorphous selenium from first principles.

    PubMed

    Darbandi, A; Devoie, É; Di Matteo, O; Rubel, O

    2012-11-14

    Advances in the development of amorphous selenium-based direct conversion photoconductors for high-energy radiation critically depend on the improvement of its sensitivity to ionizing radiation, which is directly related to the pair production energy. Traditionally, theories for the pair production energy have been based on the parabolic band approximation and do not provide a satisfactory agreement with experimental results for amorphous selenium. Here we present a calculation of the pair creation energy in trigonal and amorphous selenium based on its electronic structure. In indirect semiconductors, such as trigonal selenium, the ionization threshold energy can be as low as the energy gap, resulting in a lower pair creation energy, which is a favorable factor for sensitivity. Also, the statistics of photogenerated charge carriers is studied in order to evaluate the theoretical value of the Fano factor and its dependence on recombination processes. We show that recombination can significantly compromise the detector's energy resolution as a result of an increase in the Fano factor. PMID:23085846

  16. 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.

  17. Direct computation of general chemical energy differences: Application to ionization potentials, excitation, and bond energies

    SciTech Connect

    Beste, Ariana; Harrison, Robert J; Yanai, Takeshi

    2006-01-01

    Chemists are mainly interested in energy differences. In contrast, most quantum chemical methods yield the total energy which is a large number compared to the difference and has therefore to be computed to a higher relative precision than would be necessary for the difference alone. Hence, it is desirable to compute energy differences directly, thereby avoiding the precision problem. Whenever it is possible to find a parameter which transforms smoothly from an initial to a final state, the energy difference can be obtained by integrating the energy derivative with respect to that parameter (c.f., thermodynamic integration or adiabatic connection methods). If the dependence on the parameter is predominantly linear, accurate results can be obtained by single-point integration. In density functional theory (DFT) and Hartree-Fock, we applied the formalism to ionization potentials, excitation energies, and chemical bond breaking. Example calculations for ionization potentials and excitation energies showed that accurate results could be obtained with a linear estimate. For breaking bonds, we introduce a non-geometrical parameter which gradually turns the interaction between two fragments of a molecule on. The interaction changes the potentials used to determine the orbitals as well as constraining the orbitals to be orthogonal.

  18. Direct computation of general chemical energy differences: Application to ionization potentials, excitation, and bond energies

    NASA Astrophysics Data System (ADS)

    Beste, A.; Harrison, R. J.; Yanai, T.

    2006-08-01

    Chemists are mainly interested in energy differences. In contrast, most quantum chemical methods yield the total energy which is a large number compared to the difference and has therefore to be computed to a higher relative precision than would be necessary for the difference alone. Hence, it is desirable to compute energy differences directly, thereby avoiding the precision problem. Whenever it is possible to find a parameter which transforms smoothly from an initial to a final state, the energy difference can be obtained by integrating the energy derivative with respect to that parameter (cf. thermodynamic integration or adiabatic connection methods). If the dependence on the parameter is predominantly linear, accurate results can be obtained by single-point integration. In density functional theory and Hartree-Fock, we applied the formalism to ionization potentials, excitation energies, and chemical bond breaking. Example calculations for ionization potentials and excitation energies showed that accurate results could be obtained with a linear estimate. For breaking bonds, we introduce a nongeometrical parameter which gradually turns the interaction between two fragments of a molecule on. The interaction changes the potentials used to determine the orbitals as well as the constraint on the orbitals to be orthogonal.

  19. 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. PMID:23889391

  20. Ionization states of low-energy cosmic rays - Results from Spacelab 3 cosmic-ray experiment

    NASA Technical Reports Server (NTRS)

    Dutta, A.; Goswami, J. N.; Biswas, S.; Durgaprasad, N.; Mitra, B.; Singh, R. K.

    1993-01-01

    The Indian cosmic ray experiment Anuradha, conducted onboard Spacelab 3 during April 29-May 6, 1985 was designed to obtain information on the ionization states of low-energy cosmic rays, using the geomagnetic field as a rigidity filter to place an upper limit on the ionization state of individual cosmic ray particles. This paper presents data confirming the presence of three distinct groups of energetic particles in the near-earth space: (1) low-energy (15-25 MeV/nucleon) anomalous cosmic rays that are either singly ionized or consistent with their being in singly ionized state, (2) fully ionized galactic cosmic ray ions, and (3) partially ionized iron and sub-iron group ions (which account for about 20 percent of all the iron and sub-iron group ions detected at the Spacelab 3 orbit within the magnetosphere in the energy interval 25-125 MeV/nucleon). It is argued that these partially ionized heavy ions are indeed a part of the low-energy galactic cosmic rays present in the interplanetary space.

  1. Double electron ionization in Compton scattering of high energy photons by helium atoms

    SciTech Connect

    Amusia, M.Y.; Mikhailov, A.I.

    1995-08-01

    The cross section for double-electron ionization of two-electron atoms and ions in Compton scattering of high energy photons is calculated. It is demonstrated that its dependence on the incoming photon frequency is the same as that for single-electron ionization. The ratio of {open_quotes}double-to-single{close_quotes} ionization in Compton scattering was found to be energy independent and almost identical with the corresponding value for photoionization. For the He atom it is 1.68%. This surprising result deserves experimental verification.

  2. Propensity for distinguishing two free electrons with equal energies in electron-impact ionization of helium

    NASA Astrophysics Data System (ADS)

    Ren, Xueguang; Senftleben, Arne; Pflüger, Thomas; Bartschat, Klaus; Zatsarinny, Oleg; Berakdar, Jamal; Colgan, James; Pindzola, Michael S.; Bray, Igor; Fursa, Dmitry V.; Dorn, Alexander

    2015-11-01

    We report a combined experimental and theoretical study on the electron-impact ionization of helium at E0=70.6 eV and equal energy sharing of the two outgoing electrons (E1=E2=23 eV ), where a double-peak or dip structure in the binary region of the triple differential cross section is observed. The experimental cross sections are compared with results from convergent close-coupling (CCC), B -spline R-matrix-with-pseudostates (BSR), and time-dependent close-coupling (TDCC) calculations, as well as predictions from the dynamic screening three-Coulomb (DS3C) theory. Excellent agreement is obtained between experiment and the nonperturbative CCC, BSR, and TDCC theories, and good agreement is also found for the DS3C model. The data are further analyzed regarding contributions in particular coupling schemes for the spins of either the two outgoing electrons or one of the outgoing electrons and the 1 s electron remaining in the residual ion. While both coupling schemes can be used to explain the observed double-peak structure in the cross section, the second one allows for the isolation of the exchange contribution between the incident projectile and the target. For different observation angles of the two outgoing electrons, we interpret the results as a propensity for distinguishing these two electrons—one being more likely the incident projectile and the other one being more likely ejected from the target.

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

    PubMed

    Halder, Avik; Kresin, Vitaly V

    2015-10-28

    Ionization threshold energies of Al(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. PMID:26520519

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

    NASA Astrophysics Data System (ADS)

    Halder, Avik; Kresin, Vitaly V.

    2015-10-01

    Ionization threshold energies of Aln (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.

  5. 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.

  6. Three-Body Protonium Formation in a Collision Between a Slow Antiproton ({barp}) and Muonic Hydrogen: {H_{μ}}—Low Energy {barp + (p μ^-)_{1s} → (barp p)_{1s} + μ^-} Reaction

    NASA Astrophysics Data System (ADS)

    Sultanov, Renat A.; Guster, D.; Adhikari, S. K.

    2015-12-01

    A bound state of a proton, p, and its counterpart antiproton, {barp}, is a protonium atom {Pn = (barp p)}. The following three-charge-particle reaction: {barp +(p μ^-)_{1s} → (barp {p})_{1s} + μ^-} is considered in this work, where {μ^-} is a muon. At low-energies muonic reaction {Pn} can be formed in the short range state with α = 1 s or in the first excited state: α = 2 s/2 p, where {barp} and p are placed close enough to each other and the effect of the {barp}-p nuclear interaction becomes significantly stronger. The cross sections and rates of the Pn formation reaction are computed in the framework of a few-body approach based on the two-coupled Faddeev-Hahn-type (FH-type) equations. Unlike the original three-body Faddeev method the FH-type equation approach is formulated in terms of only two but relevant components: {{Ψ}_1} and {Ψ_2}, of the system's three-body wave function {Ψ}, where {{Ψ}={Ψ}_1+{Ψ}_2}. In order to solve the FH-type equations {Ψ_1} is expanded in terms of the input channel target eigenfunctions, i.e. in this work in terms of the {({p} μ^-)} eigenfunctions. At the same time {Ψ_2} is expanded in terms of the output channel two-body wave function, that is in terms of the protonium {(bar{{p}} {p})} eigenfunctions. A total angular momentum projection procedure is performed, which leads to an infinite set of one-dimensional coupled integral-differential equations for unknown expansion coefficients.

  7. 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.

  8. K-shell-ionization cross sections for low-Z elements (11<=Z<=22) by protons in the energy range 0.5-2.5 MeV

    NASA Astrophysics Data System (ADS)

    Tribedi, L. C.; Tandon, P. N.

    1992-06-01

    K-shell-ionization cross sections for Na, Mg, Al, Si, Cl, K, Ca, and Ti by protons in the energy range 0.5-2.5 MeV have been measured using thin targets. Measurements have also been performed for thin targets of Fe, Ni, and Cu at a few energies. The energy range of protons for these targets corresponds to the reduced velocity (v1/v2K) range 0.2-1.1, in which the cross sections are very sensitive to the increased binding energy and the Coulomb-deflection effects. The measured ionization cross sections are compared with the predictions of the theory based on the perturbed-stationary-state approach including the Coulomb-deflection, energy-loss, and relativistic corrections. The data have been scaled according to various scaling laws to test the validity of the universal nature of the various Coulomb ionization theories based on the plane-wave Born approximation, the binary-encounter approximation, and the simplified semiclassical approximation model as given by Lægsgaard, Andersen, and Lund [in Proceedings of the Tenth International Conference on the Physics of Electronic and Atomic Collisions, edited by G. Watel (North-Holland, Amsterdam, 1978), p. 353]. The measured data have also been compared with the calculations of Montenegro and Siguad [J. Phys. B 18, 299 (1985)] based on the theory of 1sσ molecular-orbital ionization.

  9. 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. PMID:27563959

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

    NASA Astrophysics Data System (ADS)

    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.

    2016-08-01

    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.

  11. In-source resonance ionization spectroscopy of high lying energy levels in atomic uranium

    NASA Astrophysics Data System (ADS)

    Raeder, Sebastian; Fies, Silke; Gottwald, Tina; Mattolat, Christoph; Rothe, Sebastian; Wendt, Klaus

    2010-02-01

    In-source resonance ionization spectroscopy of uranium has been carried out as preparation for the analysis of low contaminations of nuclear material in environmental samples via laser mass spectrometry. Using three-step resonance ionization spectroscopy, 86 levels of odd parity in the energy range from 37,200-38,650 cm - 1 were studied, 51 of these levels were previously unknown. Suitable excitation schemes for analytic applications are discussed.

  12. 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.

  13. Fluorescence Resonance Energy Transfer-based Structural Analysis of the Dihydropyridine Receptor α1S Subunit Reveals Conformational Differences Induced by Binding of the β1a Subunit.

    PubMed

    Mahalingam, Mohana; Perez, Claudio F; Fessenden, James D

    2016-06-24

    The skeletal muscle dihydropyridine receptor α1S subunit plays a key role in skeletal muscle excitation-contraction coupling by sensing membrane voltage changes and then triggering intracellular calcium release. The cytoplasmic loops connecting four homologous α1S structural domains have diverse functions, but their structural arrangement is poorly understood. Here, we used a novel FRET-based method to characterize the relative proximity of these intracellular loops in α1S subunits expressed in intact cells. In dysgenic myotubes, energy transfer was observed from an N-terminal-fused YFP to a FRET acceptor, ReAsH (resorufin arsenical hairpin binder), targeted to each α1S intracellular loop, with the highest FRET efficiencies measured to the α1S II-III loop and C-terminal tail. However, in HEK-293T cells, FRET efficiencies from the α1S N terminus to the II-III and III-IV loops and the C-terminal tail were significantly lower, thus suggesting that these loop structures are influenced by the cellular microenvironment. The addition of the β1a dihydropyridine receptor subunit enhanced FRET to the II-III loop, thus indicating that β1a binding directly affects II-III loop conformation. This specific structural change required the C-terminal 36 amino acids of β1a, which are essential to support EC coupling. Direct FRET measurements between α1S and β1a confirmed that both wild type and truncated β1a bind similarly to α1S These results provide new insights into the role of muscle-specific proteins on the structural arrangement of α1S intracellular loops and point to a new conformational effect of the β1a subunit in supporting skeletal muscle excitation-contraction coupling. PMID:27129199

  14. 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.

  15. Low-energy ionization yield in liquid argon for a coherent neutrino-nucleus scatter detector

    NASA Astrophysics Data System (ADS)

    Foxe, Michael P.

    A mode of interaction predicted by the Standard Model of particle physics, but not yet observed, is coherent neutrino-nucleus scattering (CNNS). CNNS results from the neutrino (or antineutrino) scattering coherently with the entire nucleus rather than a single nucleon. The leading challenge in detecting CNNS is the resulting sub-keV nuclear recoil energies, producing little ionization in the detector medium. In order to detect the CNNS interaction, it is beneficial to first measure the nuclear ionization yield for the chosen detector medium. The ionization yield represents the expected number of electrons produced by a nuclear recoil, and it depends both on the recoil energy and on the detector medium in which the recoil occurs. Additionally, the ionization yield depends on the applied electron drift electric field, and for this reason it should be measured directly in the detector type anticipated for future CNNS measurements. This dissertation is focused on making the prediction and measurement of the ionization yield in LAr using a dual-phase Ar detector. Due to the complexity of measuring the ionization yield at various energies, it is beneficial to also construct a predictive model for the ionization yield. In this dissertation, the prediction of the ionization yield is made on the basis of a simulation of a two-stage process. The number of ionizations generated from Ar recoil of a given energy is simulated using a Monte Carlo atomic collision model, along with the cross sections for ionization and excitation in Ar + Ar collisions. After the electrons are generated, a fraction of them recombine with the initially generated ion cloud. The electron recombination fraction is simulated by assigning the emitted electrons either 1 or 10 eV of initial kinetic energy and transporting the electrons under the influence of Coulomb forces of the ion cloud and an applied external electric field. The simulation predicts the energy dependent ionization yield, with a value of

  16. 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.

  17. Relativistic model of secondary-electron energy spectra in electron-impact ionization

    SciTech Connect

    Miller, J.H. ); Manson, S.T. )

    1991-10-01

    A relativistic model for differential electron-impact-ionization cross sections that allows the energy spectrum of secondary electrons to be calculated over a wide range of primary-electron energies is presented. The semiempirical method requires only experimental total ionization cross sections and optical oscillator strengths for the target species of interest, but other information, if available, can be incorporated to make the formulation still more accurate. Results for ionization of helium indicate that the lower limit on primary-electron energy for application of the model is about 100 eV. The simple analytic form of the model facilitates investigation of the regions of the secondary-electron energy spectrum where relativistic effects are important.

  18. Electron-impact ionization of helium with large energy transfer

    SciTech Connect

    Bray, I.; Fursa, D. V.; Stelbovics, A. T.

    2006-09-15

    We consider the recently measured case of 730 eV electron-impact ionization of the ground state of helium with 205 and 500 eV coplanar outgoing electrons by Catoire et al. [J. Phys. B 39, 2827 (2006)]. These measurements, which are on a relative scale, show some unexpected structure and variation from the second-order distorted-wave Born approximation R-matrix and Brauner-Briggs-Klar theories. Using the convergent close-coupling method we provide an improved agreement with experiment, but some discrepancies still remain.

  19. Core ionization energies of amides as a probe of structure and bonding

    NASA Astrophysics Data System (ADS)

    Greenberg, Arthur; Moore, David T.

    1997-09-01

    Core orbital energies are computed for planar ground-state and rotational transition-state structures for formamide and N,N-dimethylacetamide using ab initio molecular orbital calculations at the 6-31G∗ level. Distortion of the amide linkage decreases the core ionization energy of nitrogen and increases the core ionization energies of oxygen and the carbonyl carbon. Similar trends are observed for bridgehead bicyclic lactams and are corroborated by the limited experimental data available. A simple interpretation can be made in the language of resonance theories through reference to contributions of three canonical structures ( 1A-1C) and in particular, the reduced contribution of 1B in distorted amides.

  20. Vibrationally resolved molecular-frame angular distribution of O 1s photoelectrons from CO{sub 2} molecules

    SciTech Connect

    Saito, N.; Morishita, Y.; Suzuki, I.H.; Liu, X-J.; Pruemper, G.; Ueda, K.; Machida, M.; Oura, M.; Yamaoka, H.; Tamenori, Y.; Koyano, I.

    2005-10-15

    Vibrationally resolved O 1s photoelectron angular distributions from CO{sub 2} molecules, aligned parallel and perpendicular to the electric vector of the incident light, have been measured in the 5{sigma}{sub g}* shape resonance region, with photon energies up to 2 eV above the O 1s ionization threshold, using multiple-coincidence electron-ion momentum imaging spectroscopy. The angular distributions depend on the vibrational quanta of the antisymmetric vibrations in the O 1s ionized state but do not vary significantly as a function of the photon energy across the 5{sigma}{sub g}* shape resonance.

  1. Ionization Energy Measurements and Spectroscopy of HfO and HfO^+

    NASA Astrophysics Data System (ADS)

    Merritt, J. M.; Bondybey, V. E.; Heaven, M. C.

    2009-06-01

    Rotationally resolved spectra of the HfO^+ cation have been recorded using the pulsed field ionization zero electron kinetic energy (PFI-ZEKE) technique. The F(0^+)← X^1Σ_g band system in HfO was resonantly excited to provide vibrational and rotational state selectivity in the two photon ionization process. Using the PFI-ZEKE technique a value of 7.91687(10) eV was determined for the ionization energy (IE) of HfO, 0.37 eV higher than the values reported previously using electron impact ionization measurements. Underestimation of the IE in the previous studies is attributed to ionization of thermally excited states. A progression in the HfO^+ stretching vibration up to ν^+ = 4 was observed in the PFI-ZEKE spectrum, allowing for determination of the ground electronic state vibrational frequency of ν_e = 1017.7(10) cm^{-1} and anharmonicity of ω_ex_e = 3.2(2) cm^{-1}. The rotational constant of HfO^+ was determined to be 0.403(5) cm^{-1}. Benchmark theoretical ab initio calculations were carried out in order to explore the effects of electron correlation on the predicted molecular properties. Survey scans utilizing laser induced fluorescence and resonance enhanced multiphoton ionization detection revealed many previously unassigned bands in the region of the F-X and G-X bands of HfO, which we attribute to nominally forbidden singlet - triplet transitions of HfO.

  2. Heating of the Warm Ionized Medium by Low-energy Cosmic Rays

    NASA Astrophysics Data System (ADS)

    Walker, Mark A.

    2016-02-01

    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.

  3. 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.

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

    DOE PAGESBeta

    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 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

  5. 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.

  6. 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.

  7. 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.

  8. Electron-impact ionization of helium for equal-energy-sharing kinematics

    SciTech Connect

    Stelbovics, A.T.; Bray, I.; Fursa, D.V.; Bartschat, K.

    2005-05-15

    The close-coupling approach to electron-helium single ionization is analyzed and several ways of defining the scattering amplitudes are determined, for both equal- and unequal-energy outgoing electrons. Nevertheless, the various definitions all lead to the same cross section. The convergent close-coupling (CCC) method with Laguerre (CCC-L) and box-based (CCC-B) target functions is applied to calculate electron-impact ionization of helium for the cases where the two outgoing electrons have equal energy. Excellent absolute agreement with experiment is obtained for all available cases of comparison.

  9. Energy and angle differential cross sections for the electron-impact double ionization of helium

    SciTech Connect

    Colgan, James P; Pindzola, M S; Robicheaux, F

    2008-01-01

    Energy and angle differential cross sections for the electron-impact double ionization of helium are calculated using a non-perturbative time-dependent close-coupling method. Collision probabilities are found by projection of a time evolved nine dimensional coordinate space wave function onto fully antisymmetric products of spatial and spin functions representing three outgoing Coulomb waves. At an incident energy of 106 eV, we present double energy differential cross sections and pentuple energy and angle differential cross sections. The pentuple energy and angle differential cross sections are found to be in relative agreement with the shapes observed in recent (e,3e) reaction microscope experiments. Integration of the differential cross sections over all energies and angles yields a total ionization cross section that is also in reasonable agreement with absolute crossed-beams experiments.

  10. Low-Energy Peak Structure in Strong-Field Ionization by Mid-Infrared Laser Pulses

    NASA Astrophysics Data System (ADS)

    Lemell, C.; Dimitriou, K. I.; Arbó, D. G.; Tong, X.-M.; Kartashov, D.; Burgdörfer, J.; Gräfe, S.

    2013-03-01

    Using a quasiclassical approach, we demonstrate that the formation of the low-energy structure in above-threshold ionization spectra by intense, midinfrared laser pulses originates from a two-dimensional focusing of the strong-field dynamics in the energy-angular-momentum plane. We show that the low-energy structure is very sensitive to the carrier-envelope phase of the laser field.

  11. A precise ionization method for determination of the energy deposited in small sites of irradiated objects

    SciTech Connect

    Bigildeev, E.A.; Lappa, A.V.

    1994-09-01

    The ionization method for determination of the energy deposited in sensitive sites of irradiated objects is usually used with the assumption that deposited energy is directly proportional to the number of ionization in a site. This assumption fails in two cases important for nanometer-sized sites: (1) when the fluctuation characteristics of deposited energy such as higher moments, probability distributions, etc. are determined instead of the mean value; (2) when the radiation field in a site is spatially non-uniform. In this paper both cases are investigated. Exact formulae connecting energy and ionization quantities (moments, cumulants, probability distributions) are established as well as practical procedures to obtain energy quantities from those of ionization. The validity of the direct proportionality principle is analyzed and approximate methods to correct it are propose. Some microdosimetric results are presented. The solution of these problems required that we refine some known notions and introduce new terms. In particular, in the paper the necessity of distinguishing two distinct types of events and correspondingly two sets of microdosimetric quantities is noted; new radiation parameters such as the fluctuation W value and non-equivalence factor for the events are defined and investigated numerically. 12 refs., 5 figs.

  12. 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.

  13. Ion appearance energies at electron-impact dissociative ionization of sulfur hexafluoride molecule and its fragments

    NASA Astrophysics Data System (ADS)

    Demesh, Shandor Sh.; Remeta, Eugene Yu.

    2015-07-01

    Theoretical analysis of appearance energies for SF{/k +} ( k = 0- n) ion fragments of SF6 molecule as well as F+ and F{2/+} ions at electron-impact dissociative ionization of SF n ( n = 1-6) molecules is presented. Theoretical methods of GAMESS software package were used to calculate the total energies of neutral and charged molecular and atomic fragments. The dissociative ionization process is concluded to occur via repulsive highly-excited electronic states of the SF6 molecule and its fragments, due to which the observed appearance energies exceed the theoretical values. The electron binding energies on the molecular orbitals in the SF6 molecule are compared with the ion fragment appearance energies.

  14. Hadronic Transitions from Upsilon (2S) to Upsilon (1s) and Upsilon Dipion Transitions at Energies Near the Upsilon (4S)

    NASA Astrophysics Data System (ADS)

    Kotoy, Sergei Anatolievich

    This dissertation consists of two closely related analyses, both of which were performed using data collected with the CLEO II detector at the Cornell Electron Storage Ring. In the first analysis, using the world largest data sample of Υ(2 S) events, we have investigated the hadronic transitions between the Υ(2S) and the Υ(1S), i.e. decays of the Υ(2S) into the Υ(1S), plus a pair of pions ( p+p- or p0p0 ), a single η or a single p0 . The dipion transitions U(2S)-->U( 1S)pp were studied most closely, by using two different techniques: ``exclusive'' and ``inclusive''. In these measurements we determine the U(2S)-->U( 1S)pp branching ratios, and, by combining the exclusive and inclusive results, we derive the Υ(1S), leptonic branching ratios Bee and Bmm . Parameters of the ππ system in the dipion transitions (dipion invariant mass spectra, angular distributions) were analyzed and found to be consistent with current theoretical models. Lastly, we searched for the η and single π0 transitions and obtained upper limits on the branching ratios B(U(2S) -->U(1S)h ) and B(U(2S) -->U(1S)p 0) . In the second analysis, the data collected at the center of mass energies near the Υ(4S) were used to search for the dipion transition between pairs of Υ resonances. As a result of this search, we established upper limits on the branching ratios of the dipion transitions post='par'>p+p- and U(4S)-->U( 1S)p+p- , and measured the cross-sections for the radiative production of Υ(3 S) and Υ(2S) resonances e+e--->U(nS) g at the center of mass energies of Ecm = 10.58 GeV and Ecm = 10.52 GeV.

  15. 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.

  16. 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%.

  17. Demystifying Introductory Chemistry. Part 3: Ionization Energies, Electronegativity, Polar Bonds, and Partial Charges.

    ERIC Educational Resources Information Center

    Spencer, James; And Others

    1996-01-01

    Shows how ionization energies provide a convenient method for obtaining electronegativity values that is simpler than the conventional methods. Demonstrates how approximate atomic charges can be calculated for polar molecules and how this method of determining electronegativities may lead to deeper insights than are typically possible for the…

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

    NASA Astrophysics Data System (ADS)

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

    2015-09-01

    Recently a number of techniques have combined laser ablation with liquid capture for mass spectrometry spot sampling and imaging applications. The newly developed noncontact liquid-vortex capture probe has been used to efficiently collect material ablated by a 355 nm UV laser 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 appears to be classic electrospray ionization spectra; however, the `softness' of this sampling/ionization process versus simple electrospray ionization has not been definitely determined. In this work, a series of benzylpyridinium salts were employed as thermometer ions 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. These data, along with results from the analysis the biological molecules bradykinin and angiotensin III indicated that the ions or their fragments formed directly by UV laser ablation that survive the liquid capture/electrospray ionization process were likely to be an extremely small component of the total ion signal observed. Instead, the preponderate neutral molecules, clusters, and particulates ejected from the surface during laser ablation, subsequently captured and dissolved in the flowing solvent stream, then electrosprayed, were the principal source of the ion signal observed. Thus, the electrospray ionization process used controls the overall `softness' of this technique.

  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. [Identification of high-lying odd energy levels of uranium by resonant ionization mass spectrometry].

    PubMed

    Du, H; Shi, G; Huang, M; Jin, C

    2000-06-01

    Single-colour and two-colour multiphoton resonant ionization spectra of uranium atom were studied extensively with a Nd:YAG laser-pumped dye laser atomic beam apparatus time-of-flight mass spectrometer in our laboratory. The energy locations of high-lying odd-parity levels in the region 33,003-34,264 cm-1, measured by a two-colour three-step ionization technique, were reported here. The angular momentum quantum number J was uniquely assigned for these levels by using angular momentum selection rules. PMID:12958925

  1. Characterization of a free air ionization chamber for low energy X-rays

    NASA Astrophysics Data System (ADS)

    Silva, N. F.; Xavier, M.; Vivolo, V.; Caldas, L. V. E.

    2016-07-01

    Free air ionization chambers are used by most primary metrology laboratories as primary standards of the quantities air kerma and exposure in X-ray beams. The free air ionization chamber for low energies of the Calibration Laboratory (LCI) of IPEN showed in a characterization test a problem in the set responsible for the variation of its sensitive volume. After a modification in the support of the micrometers used for the movement of the internal cylinder and the establishment of a new alignment system protocol, the tests were redone. The objective of this work was to present the results obtained in the new condition.

  2. Non-constant ponderomotive energy in above threshold ionization by intense few-cycle laser pulses

    NASA Astrophysics Data System (ADS)

    Della Picca, Renata; Gramajo, Ana A.; Arbó, Diego G.; López, Sebastián D.; Garibotti, Carlos R.

    2015-09-01

    We analyze the contribution of the quiver kinetic energy acquired by an electron in an oscillating electric field to the energy balance in atomic ionization processes by a short laser pulse. Due to the time dependence of this additional kinetic energy, a temporal average is assumed to maintain a stationary energy conservation rule. This rule is used to predict the position of the peaks observed in the photo electron spectra (PE). For a flat top pulse envelope, the mean value of the quiver energy over the whole pulse leads to the concept of ponderomotive energy $U_{p}$. However for a short pulse with a fast changing field intensity a stationarity approximation could not be precise. We check these concepts by studying first the photoelectron (PE) spectrum within the Semiclassical Model (SCM) for a multiple steps 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 present the analysis of the PE spectrum for a realistic sine-squared envelope within the Coulomb-Volkov and \\textit{ab initio} calculations solving the time-dependent Schr\\"odinger equation. We found that the electron emission amplitudes produced at different times interfere with each other and produce a new additional pattern, that overlap the above-threshold ionization (ATI) peaks.

  3. Fragment appearance energies in dissociative ionization of a sulfur hexafluoride molecule by electron impact

    NASA Astrophysics Data System (ADS)

    Demesh, Sh. Sh.; Zavilopulo, A. N.; Shpenik, O. B.; Remeta, E. Yu.

    2015-06-01

    Theoretical analysis of the fragment appearance energies corresponding to possible channels of formation of SF{/k +} fragments in dissociative ionization of the SF6 molecule by an electron impact is carried out. The total energies of neutral and ion molecular and atomic fragments are calculated using the theoretical methods of the GAMESS program complex. It is concluded that apart from dissociative ionization via autoionizing repulsive electronic states of the SF6 molecule, the excitation channels for SF{/k +} fragments and F2 molecules play a significant role, which leads to higher values of the observed fragment appearance energy as compared to theoretical values. The dependence of the energy corresponding to the formation of SF{/k +} c fragments on the number k of fluorine atoms is considered.

  4. Nonlinear ionization mechanism dependence of energy absorption in diamond under femtosecond laser irradiation

    SciTech Connect

    Wang Cong; Jiang Lan; Li Xin; Wang Feng; Yuan Yanping; Lu Yongfeng

    2013-04-14

    We present first-principles calculations for nonlinear photoionization of diamond induced by the intense femtosecond laser field. A real-time and real-space time-dependent density functional theory with the adiabatic local-density approximation is applied to describe the laser-material interactions in the Kohn-Sham formalism with the self-interaction correction. For a certain laser wavelength, the intensity dependence of energy absorption on multiphoton and/or tunnel ionization mechanisms is investigated, where laser intensity regions vary from 10{sup 12} W/cm{sup 2} to 10{sup 16} W/cm{sup 2}. In addition, the effect of laser wavelength on energy absorption at certain ionization mechanism is discussed when the Keldysh parameter is fixed. Theoretical results show that: (1) at the fixed laser wavelength, the relationship between the energy absorption and laser intensity shows a good fit of E = c{sub M}I{sup N} (N is the number of photons absorbed to free from the valence band) when multiphoton ionization dominates; (2) while when tunnel ionization becomes significant, the relationship coincides with the expression of E = c{sub T}I{sup n} (n < N).

  5. ENERGY LEVELS AND SPECTRAL LINES OF SINGLY IONIZED MANGANESE (Mn II)

    SciTech Connect

    Kramida, Alexander; Sansonetti, Jean E.

    2013-04-01

    This compilation revises the previously recommended list of energy levels of singly ionized manganese (Mn II) and provides a comprehensive list of observed spectral lines and transition probabilities in this spectrum. The new level optimization takes into account critically assessed uncertainties of measured wavelengths and includes about a hundred high-precision wavelengths determined by laser spectroscopy and Fourier transform techniques. Uncertainties of 63% of energy levels and 74% of Ritz wavelengths are reduced by a factor of three on average.

  6. 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.

  7. 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.

  8. 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.

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

    PubMed

    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. PMID:26001454

  10. Kinematic origin for near-zero energy structures in mid-IR strong field ionization

    NASA Astrophysics Data System (ADS)

    Pisanty, Emilio; Ivanov, Misha

    2016-05-01

    We propose and discuss a kinematic mechanism underlying the recently discovered ‘near-zero energy structure’ in the photoionization of atoms in strong mid-infrared laser fields, based on trajectories which revisit the ion at low velocities exactly analogous to the series responsible for low-energy structures. The different scaling of the new series, as E∼ {I}p2/{U}p, suggests that the near-zero energy structure can be lifted to higher energies, where it can be better resolved and studied, using harder targets with higher ionization potential.

  11. The energy distribution cross section in threshold electron-atom impact ionization

    NASA Technical Reports Server (NTRS)

    Temkin, A.

    1974-01-01

    The flatness of the energy differential cross section in impact ionization is derived analytically in the Wannier theory. However it is shown that the Wannier zone is confined to a region of the order E/5 is less than or equal to epsilon is less than or equal to 4E/5, where E is the available energy and epsilon is the energy of the electrons. By contrasting the known results of photoionization and photodetachment, one can cogently argue that in the complementary region where electrons share their energy very unequally the cross section rises to a value independent of E, and that this region determines the form of the threshold law.

  12. Vibrational overtone spectroscopy of H/sub 2/O (4. gamma. /sub OH/) using energy-selective electron impact ionization

    SciTech Connect

    Hayden, C.C.; Penn, S.M.; Carlson, K.J.; Crim, F.F.

    1988-03-24

    The authors describe a new method for obtaining vibrational overtone spectra of polyatomic molecules in supersonic expansions that uses low-energy electrons to ionize the vibrationally excited molecules. Measuring the excitation spectrum of water in the region of the third overtone of the OH stretching vibration (4..sigma../sub OH/) demonstrates the technique. The ionization process is probably not direct but may occur by electron impact excitation to vibrationally and electronically excited states from which the neutral molecule is subsequently ionizes

  13. 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.

  14. On the influence of low-energy ionizing radiation on the amino acid molecule: proline

    NASA Astrophysics Data System (ADS)

    Tamuliene, Jelena; Romanova, Liudmila; Vukstich, Vasyl; Papp, Alexander; Shkurin, Serhiy; Baliulyte, Laura; Snegursky, Alexander

    2016-06-01

    New data on the electron-impact fragmentation of the amino acid proline molecule are presented as being related to the formation of the ionized products due to the influence of low-energy ionizing radiation on the above molecule. An extensive DFT-theory based on the theoretical approach enabled the main pathways of the proline molecules fragmentation to be elucidated. A series of the produced fragments have been identified. The absolute appearance energies for some of them have been both measured experimentally and calculated theoretically. The data of the experimental studies and theoretical calculations are compared and analyzed. Contribution to the Topical Issue "Low-Energy Interactions related to Atmospheric and Extreme Conditions", edited by S. Ptasinska, M. Smialek-Telega, A. Milosavljevic, B. Sivaraman.

  15. 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.

  16. X-ray ionization yields and energy spectra in liquid argon

    NASA Astrophysics Data System (ADS)

    Bondar, A.; Buzulutskov, A.; Dolgov, A.; Shekhtman, L.; Sokolov, A.

    2016-04-01

    The main purpose of this work is to provide reference data on X-ray ionization yields and energy spectra in liquid Ar to the studies in the field of Cryogenic Avalanche Detectors (CRADs) for rare-event and other experiments, based on liquid Ar detectors. We present the results of two related researches. First, the X-ray recombination coefficients in the energy range of 10-1000 keV and ionization yields at different electric fields, between 0.6 and 2.3 kV/cm, are determined in liquid Ar based on the results of a dedicated experiment. Second, the energy spectra of pulsed X-rays in liquid Ar in the energy range of 15-40 keV, obtained in given experiments including that with the two-phase CRAD, are interpreted and compared to those calculated using a computer program, to correctly determine the absorbed X-ray energy. The X-ray recombination coefficients and ionization yields have for the first time been presented for liquid Ar in systematic way.

  17. ENERGY DISTRIBUTION OF TWO-ELECTRON IONIZATION OF HELIUM IN AN INTENSE LASER FIELD.

    SciTech Connect

    LAFON,R.; CHALOUPKA,J.L.; SHEEHY,B.; DIMAURO,L.F.; PAUL,P.M.; AGOSTINI,P.; KULANDER,K.C.

    2000-09-24

    It is well known that a neutral atom interacting with a strong laser field will ionize at sufficiently high intensity even for photon energies well below the ionization threshold. When the required number of photons becomes very large, this process is best described by the suppression of the Coulomb barrier by the laser's oscillating electric field, allowing the electron to tunnel into the continuum. As the laser intensity is increased, more tightly bound electrons may be successively liberated by this mechanism. Such a sequential multiple ionization, long accepted as a reasonable approach to the formidable problem of a multielectron atom interacting nonperturbatively with an intense electromagnetic field, provides fair estimates of the various charge state appearance intensities while the tunneling rates are in excellent agreement with single ionization yields. However, more accurate measurements revealed systematic and very large deviations from the tunneling rates: near appearance intensity under standard experimental conditions, the observed double ion yield is several orders of magnitude larger than predicted by the sequential rate. It soon became clear that electrons could not be considered as independent and that electron-electron correlation had to be taken into account. Dynamic correlations have been considered in several theories. First qualitatively in the shakeoff model; then empirically through the e-2e cross-section in the quantum/classical three-step model (tunnel ionization, acceleration by the oscillating electric field and e-2e recollision with the ion); recently through the so-called intense field many-body-S-matrix theory and a purely empirical model of collective tunnel ionization. The validity of these ideas has been examined using numerical models. The measurement of total ion yields over a dynamic range exceeding ten orders of magnitude, a major breakthrough made possible by the availability of high-repetition rate lasers at the beginning of

  18. 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.

  19. Electron-impact ionization of molecular hydrogen at 38 eV incident energy

    NASA Astrophysics Data System (ADS)

    Colgan, James; Ren, Xueguang; Dorn, Alexander; Pindzola, M. S.

    2016-05-01

    We report on recent measurements of the triple differential cross sections from electron-impact ionization of molecular hydrogen at an incident energy of 38 eV. Results are reported for various orientations of the target molecule, as well as various scattering angles and energy sharings of the outgoing electrons. The measurements are compared with calculations performed using a time-dependent close-coupling approach. Reasonable agreement is found between theory and measurement. We also compare and contrast our results to those obtained at higher incident electron energies, which were reported recently.

  20. Precision Measurement of the Ionization and Dissociation Energies of H_2, HD and D_2

    NASA Astrophysics Data System (ADS)

    Sprecher, Daniel; Liu, Jinjun; Merkt, Frédéric; Jungen, Christian; Ubachs, Wim

    2010-06-01

    The ionization and dissociation energies of H_2, HD and D_2 are benchmark quantities in molecular quantum mechanics. Comparison between experimental and theoretical values for these quantities has a long history starting with the early measurement of Beutler and the calculations of James and Coolidge. Transition wave numbers from the EF ^1Σ g^+ (v=0,N=0,1) state to selected np Rydberg states (n ≈ 60) below the X+ ^2Σ^+u (v^+=0,N^+=0,1)} ionization threshold have been measured in H_2, HD and D_2 at a precision better than 10 MHz (0.0003 cm-1). Combining the results with previous experimental and theoretical data for other energy level intervals, the ionization and dissociation energies of H_2, HD and D_2 could be determined at an absolute accuracy of better than 20 MHz. These new results represent an improvement over previous experimental results by more than one order of magnitude and the most precise values of dissociation and ionization energies measured to date in a molecular system. The results therefore offer the opportunity of a comparison with theoretical values. In particular they will be compared to the latest ab initio calculations which include nonadiabatic, relativistic and radiative effects. The comparison indicates that relativistic and radiative quantum electrodynamics corrections of order up to α^4 are needed to account for the experimental results. H. Beutler, Z. Phys. Chem. 29, 315 (1935) H. M. James and A. S. Coolidge, J. Chem. Phys. 1, 825 (1933) J. Liu, E. J. Salumbides, U. Hollenstein, J. C. J. Koelemeij, K. S. E. Eikema, W. Ubachs, and F. Merkt, J. Chem. Phys. 130, 174306 (2009) J. Liu, D. Sprecher, Ch. Jungen, W. Ubachs, and F. Merkt, submitted to J. Chem. Phys. K. Piszczatowski, G. Łach, M. Przybytek, J. Komasa, K. Pachucki, and B. Jeziorski, J. Chem. Theory Comput. 5, 3039 (2009)

  1. 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.

  2. Internal energy deposition with silicon nanoparticle-assisted laser desorption/ionization (SPALDI) mass spectrometry

    NASA Astrophysics Data System (ADS)

    Dagan, Shai; Hua, Yimin; Boday, Dylan J.; Somogyi, Arpad; Wysocki, Ronald J.; Wysocki, Vicki H.

    2009-06-01

    The use of silicon nanoparticles for laser desorption/ionization (LDI) is a new appealing matrix-less approach for the selective and sensitive mass spectrometry of small molecules in MALDI instruments. Chemically modified silicon nanoparticles (30 nm) were previously found to require very low laser fluence in order to induce efficient LDI, which raised the question of internal energy deposition processes in that system. Here we report a comparative study of internal energy deposition from silicon nanoparticles to previously explored benzylpyridinium (BP) model compounds during LDI experiments. The internal energy deposition in silicon nanoparticle-assisted laser desorption/ionization (SPALDI) with different fluorinated linear chain modifiers (decyl, hexyl and propyl) was compared to LDI from untreated silicon nanoparticles and from the organic matrix, [alpha]-cyano-4-hydroxycinnamic acid (CHCA). The energy deposition to internal vibrational modes was evaluated by molecular ion survival curves and indicated that the ions produced by SPALDI have an internal energy threshold of 2.8-3.7 eV. This is slightly lower than the internal energy induced using the organic CHCA matrix, with similar molecular survival curves as previously reported for LDI off silicon nanowires. However, the internal energy associated with desorption/ionization from the silicon nanoparticles is significantly lower than that reported for desorption/ionization on silicon (DIOS). The measured survival yields in SPALDI gradually decrease with increasing laser fluence, contrary to reported results for silicon nanowires. The effect of modification of the silicon particle surface with semifluorinated linear chain silanes, including fluorinated decyl (C10), fluorinated hexyl (C6) and fluorinated propyl (C3) was explored too. The internal energy deposited increased with a decrease in the length of the modifier alkyl chain. Unmodified silicon particles exhibited the highest analyte internal energy

  3. 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.

  4. Laser pulse duration dependence of the low-energy structure in strong field ionization

    NASA Astrophysics Data System (ADS)

    Lai, Yu Hang; Zhang, Kaikai; Blaga, Cosmin; Xu, Junliang; Agostini, Pierre; Dimauro, Louis; Schmidt, Bruno; Légaré, François; The Ohio State University Team; Institut National de la Recherche Scientifique Team

    2015-05-01

    Low-energy structure (LES) in strong field ionization is a spike-like feature appearing in the low energy part (a few eV) of photoelectron spectra along the laser polarization. It has been observed in rare gas atoms and diatomic molecules. In the classical picture, the formation of LES is due to the Coulomb interaction between the ionized electron and its parent ion via the process of multiple forward scattering, which can happen only if the electron is ionized with a small drift momentum. We have studied the LES in rare gas atoms with few-cycle laser pulses centered at 1800nm. We observed that the LES peak shifts to lower energy as the pulse duration decreases from 5 down to 2 optical cycles, which is in qualitative agreement with classical-trajectory Monte Carlo simulations. Classically, the shift could be attributed to the dependence of the ratio between the field amplitude of the central cycle and the adjacent cycle on the pulse duration. Our data support the classical nature of the LES.

  5. 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.

  6. 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

  7. Comparison of the energy response of an ionization spectrometer for pions and protons

    NASA Technical Reports Server (NTRS)

    Jones, W. V.; Verma, S. D.

    1971-01-01

    An ionization spectrometer consisting of a sandwich of iron absorbers and plastic scintillation counters was used to measure the energy of pions and protons in the interval 10 to 1000 GeV. For the limited energy interval of 10 to 40 GeV, pions and protons were identified by an air cerenkov counter. Interactions in carbon were studied in a multiplate cloud chamber placed between the cerenkov counter and the spectrometer. Knowledge of these interactions were used in conjunction with a Monte Carlo simulation of the cascade process to study differences in the response of the spectrometer to pions and protons.

  8. 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.

  9. Influence of energy pooling and ionization on physical features of a diode-pumped alkali laser.

    PubMed

    An, Guofei; Wang, You; Han, Juhong; Cai, He; Zhou, Jie; Zhang, Wei; Xue, Liangping; Wang, Hongyuan; Gao, Ming; Jiang, Zhigang

    2015-10-01

    In recent years, a diode-pumped alkali laser (DPAL) has become one of the most hopeful candidates to achieve the high power performance. A series of models have been established to analyze the DPAL's kinetic process and most of them were based on the algorithms in which only the ideal 3-level system was considered. In this paper, we developed a systematic model by taking into account the influence of excitation of neutral alkali atoms to even-higher levels and their ionization on the physical features of a static DPAL. The procedures of heat transfer and laser kinetics were combined together in our theoretical model. By using such a theme, the continuous temperature and number density distribution have been evaluated in the transverse section of a cesium vapor cell. The calculated results indicate that both energy pooling and ionization play important roles during the lasing process. The conclusions might deepen the understanding of the kinetic mechanism of a DPAL. PMID:26480154

  10. 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.

  11. 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).

  12. 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. PMID:27305989

  13. 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.

  14. 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.

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

    DOE PAGESBeta

    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.; et al

    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

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

    NASA Astrophysics Data System (ADS)

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

    2016-05-01

    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 1H, 4He, 12C and 16O 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 1H, 2H, 4He, 6Li, 7Li, and 12C 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.

  17. 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.

  18. Determination of the 154Sm ionization energy by high-precision laser spectroscopy

    NASA Astrophysics Data System (ADS)

    Schmitt, A.; Bushaw, B. A.; Wendt, K.

    2004-04-01

    High-resolution resonance ionization mass spectrometry has been used to determine the ionization energy of 154Sm. Three-step resonant excitation with single-frequency lasers populates a series of ell = 3, J = 4 Rydberg levels in the range of n = 60-160, covering the range of 30 cm-1 to 4 cm-1 below the first ionization limit. Although samarium has a complex electronic structure with eight valence electrons, series of nearly unperturbed levels could be observed. Analysis includes shifts caused by a single perturbing state, an extended Ritz term for quantum defect variation at lower n, and corrections for residual electric fields. The resulting series convergence limit has an uncertainty of 4 × 10-5 cm-1, while the final value EI (154Sm) = 45 519.307 93(43) cm-1 also accounts for the uncertainty in absolute laser frequencies coupling the Rydberg spectrum to the J = 0 ground state and other systematic errors. Precision is improved by nearly four orders of magnitude over previous values.

  19. 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.

  20. 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.

  1. Vibrationally resolved O 1s core-excitation spectra of CO and NO

    SciTech Connect

    Puettner, R.; Domke, M.; Kaindl, G.; Dominguez, I.; Rotenberg, E.; Warwick, T.; Schlachter, A.S.; Morgan, T.J.; Cisneros, C.; Fink, R.F.

    1999-05-01

    High-resolution photoabsorption spectra of CO and NO below the O 1s ionization threshold are presented. The vibrational fine structure of the O 1s{r_arrow}{pi}{sup {asterisk}} and O 1s{sup {minus}1} Rydberg excitations could be resolved for both molecules, allowing a determination of the vibrational energies and intramolecular distances of the core-excitation states in CO and NO from Franck-Condon analyses. {ital Ab initio} calculations are performed for the O 1s{r_arrow}{pi}{sup {asterisk}} excitation in CO to give an independent confirmation of the spectroscopic parameters derived from the Franck-Condon analysis. The spectral features of the O 1s{sup {minus}1} Rydberg region in CO are reassigned on the basis of the experimental results. The results obtained for the O 1s{sup {minus}1}3s Rydberg state in NO support the idea of a weakening of the molecular bond upon an O 1s{sup {minus}1} ionization process. thinsp thinsp {copyright} {ital 1999} {ital The American Physical Society}

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

    DOE PAGESBeta

    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 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. 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.

  5. 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.

  6. Exchange distortion and postcollision interaction for intermediate-energy electron-impact ionization of argon

    SciTech Connect

    Prideaux, A.; Madison, D.H.; Bartschat, K.

    2005-09-15

    Measurements of fully differential cross sections for electron impact ionization of atoms have been performed for over 30 years. However, only within the last ten years has agreement between experiment and theory been achieved for ionization of hydrogen and helium. For the heavier inert gases, reasonably good agreement between experiment and theory has only been achieved for high incident energies while serious discrepancies are common for intermediate and low incident energies. It is believed that a major source of the problem stems from an improper/inadequate treatment of exchange distortion (ED) and the effects of post-collision interactions (PCIs). In this paper, two different methods for including ED are examined--one based upon the R matrix (close-coupling) approach and one originating from the single-configuration Hartree-Fock approach. In general, these two methods predict significant, but different, ED effects. The importance of PCI is studied by including the final-state Coulomb interaction directly in the final-state wave function. This procedure guarantees that PCI effects will be included to all orders of perturbation theory. For intermediate energies, PCI is an important effect and leads to an overall improvement in the agreement between experiment and theory.

  7. Mass separation of deuterium and helium with conventional quadrupole mass spectrometer by using varied ionization energy

    NASA Astrophysics Data System (ADS)

    Yu, Yaowei; Hu, Jiansheng; Wan, Zhao; Wu, Jinhua; Wang, Houyin; Cao, Bin

    2016-03-01

    Deuterium pressure in deuterium-helium mixture gas is successfully measured by a common quadrupole mass spectrometer (model: RGA200) with a resolution of ˜0.5 atomic mass unit (AMU), by using varied ionization energy together with new developed software and dedicated calibration for RGA200. The new software is developed by using MATLAB with the new functions: electron energy (EE) scanning, deuterium partial pressure measurement, and automatic data saving. RGA200 with new software is calibrated in pure deuterium and pure helium 1.0 × 10-6-5.0 × 10-2 Pa, and the relation between pressure and ion current of AMU4 under EE = 25 eV and EE = 70 eV is obtained. From the calibration result and RGA200 scanning with varied ionization energy in deuterium and helium mixture gas, both deuterium partial pressures (PD2) and helium partial pressure (PHe) could be obtained. The result shows that deuterium partial pressure could be measured if PD2 > 10-6 Pa (limited by ultimate pressure of calibration vessel), and helium pressure could be measured only if PHe/PD2 > 0.45, and the measurement error is evaluated as 15%. This method is successfully employed in EAST 2015 summer campaign to monitor deuterium outgassing/desorption during helium discharge cleaning.

  8. Exchange distortion and postcollision interaction for intermediate-energy electron-impact ionization of argon

    NASA Astrophysics Data System (ADS)

    Prideaux, A.; Madison, D. H.; Bartschat, K.

    2005-09-01

    Measurements of fully differential cross sections for electron impact ionization of atoms have been performed for over 30 years. However, only within the last ten years has agreement between experiment and theory been achieved for ionization of hydrogen and helium. For the heavier inert gases, reasonably good agreement between experiment and theory has only been achieved for high incident energies while serious discrepancies are common for intermediate and low incident energies. It is believed that a major source of the problem stems from an improper/inadequate treatment of exchange distortion (ED) and the effects of post-collision interactions (PCIs). In this paper, two different methods for including ED are examined—one based upon the R matrix (close-coupling) approach and one originating from the single-configuration Hartree-Fock approach. In general, these two methods predict significant, but different, ED effects. The importance of PCI is studied by including the final-state Coulomb interaction directly in the final-state wave function. This procedure guarantees that PCI effects will be included to all orders of perturbation theory. For intermediate energies, PCI is an important effect and leads to an overall improvement in the agreement between experiment and theory.

  9. 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.

  10. 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.

  11. Calculations of molecular ionization energies using a self-consistent-charge Hartree-Fock-Slater method

    NASA Technical Reports Server (NTRS)

    Rosen, A.; Ellis, D. E.; Adachi, H.; Averill, F. W.

    1976-01-01

    A numerical-variational method for performing self-consistent molecular calculations in the Hartree-Fock-Slater (HFS) model is presented. Molecular wavefunctions are expanded in terms of basis sets constructed from numerical HFS solutions of selected one-center atomlike problems. Binding energies and wavefunctions for the molecules are generated using a discrete variational method for a given molecular potential. In the self-consistent-charge (SCC) approximation to the complete self-consistent-field (SCF) method, results of a Mulliken population analysis of the molecular eigenfunctions are used in each iteration to produce 'atomic' occupation numbers. The simplest SCC potential is then obtained from overlapping spherical atomlike charge distributions. Molecular ionization energies are calculated using the transition-state procedure; results are given for CO, H2O, H2S, AlCl, InCl, and the Ni5O surface complex. Agreement between experimental and theoretical ionization energies for the free-molecule valence levels is generally within 1 eV. The simple SCC procedure gives a reasonably good approximation to the molecular potential, as shown by comparison with experiment, and with complete SCF calculations for CO, H2O, and H2S.

  12. Mass separation of deuterium and helium with conventional quadrupole mass spectrometer by using varied ionization energy.

    PubMed

    Yu, Yaowei; Hu, Jiansheng; Wan, Zhao; Wu, Jinhua; Wang, Houyin; Cao, Bin

    2016-03-01

    Deuterium pressure in deuterium-helium mixture gas is successfully measured by a common quadrupole mass spectrometer (model: RGA200) with a resolution of ∼0.5 atomic mass unit (AMU), by using varied ionization energy together with new developed software and dedicated calibration for RGA200. The new software is developed by using MATLAB with the new functions: electron energy (EE) scanning, deuterium partial pressure measurement, and automatic data saving. RGA200 with new software is calibrated in pure deuterium and pure helium 1.0 × 10(-6)-5.0 × 10(-2) Pa, and the relation between pressure and ion current of AMU4 under EE = 25 eV and EE = 70 eV is obtained. From the calibration result and RGA200 scanning with varied ionization energy in deuterium and helium mixture gas, both deuterium partial pressures (PD2 ) and helium partial pressure (PHe) could be obtained. The result shows that deuterium partial pressure could be measured if PD2 > 10(-6) Pa (limited by ultimate pressure of calibration vessel), and helium pressure could be measured only if PHe/PD2 > 0.45, and the measurement error is evaluated as 15%. This method is successfully employed in EAST 2015 summer campaign to monitor deuterium outgassing/desorption during helium discharge cleaning. PMID:27036832

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

    DOE PAGESBeta

    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 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

  14. Determination of Formation and Ionization Energies of Charged Defects in Two-Dimensional Materials

    NASA Astrophysics Data System (ADS)

    Wang, Dan; Han, Dong; Li, Xian-Bin; Xie, Sheng-Yi; Chen, Nian-Ke; Tian, Wei Quan; West, Damien; Sun, Hong-Bo; Zhang, S. B.

    2015-05-01

    We present a simple and efficient approach to evaluate the formation energy and, in particular, the ionization energy (IE) of charged defects in two-dimensional (2D) systems using the supercell approximation. So far, first-principles results for such systems can scatter widely due to the divergence of the Coulomb energy with vacuum dimension, denoted here as Lz . Numerous attempts have been made in the past to fix the problem under various approximations. Here, we show that the problem can be resolved without any such assumption, and a converged IE can be obtained by an extrapolation of the asymptotic IE expression at large Lz (with a fixed lateral area S ) back to the value at Lz=0 . Application to defects in monolayer boron nitride reveal that defects in 2D systems can be unexpectedly deep, much deeper than the bulk.

  15. Determination of formation and ionization energies of charged defects in two-dimensional materials.

    PubMed

    Wang, Dan; Han, Dong; Li, Xian-Bin; Xie, Sheng-Yi; Chen, Nian-Ke; Tian, Wei Quan; West, Damien; Sun, Hong-Bo; Zhang, S B

    2015-05-15

    We present a simple and efficient approach to evaluate the formation energy and, in particular, the ionization energy (IE) of charged defects in two-dimensional (2D) systems using the supercell approximation. So far, first-principles results for such systems can scatter widely due to the divergence of the Coulomb energy with vacuum dimension, denoted here as L_{z}. Numerous attempts have been made in the past to fix the problem under various approximations. Here, we show that the problem can be resolved without any such assumption, and a converged IE can be obtained by an extrapolation of the asymptotic IE expression at large L_{z} (with a fixed lateral area S) back to the value at L_{z}=0. Application to defects in monolayer boron nitride reveal that defects in 2D systems can be unexpectedly deep, much deeper than the bulk. PMID:26024189

  16. 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.

  17. S-model calculations for high-energy-electron-impact double ionization of helium

    NASA Astrophysics Data System (ADS)

    Gasaneo, G.; Mitnik, D. M.; Randazzo, J. M.; Ancarani, L. U.; Colavecchia, F. D.

    2013-04-01

    In this paper the double ionization of helium by high-energy electron impact is studied. The corresponding four-body Schrödinger equation is transformed into a set of driven equations containing successive orders in the projectile-target interaction. The transition amplitude obtained from the asymptotic limit of the first-order solution is shown to be equivalent to the familiar first Born approximation. The first-order driven equation is solved within a generalized Sturmian approach for an S-wave (e,3e) model process with high incident energy and small momentum transfer corresponding to published measurements. Two independent numerical implementations, one using spherical and the other hyperspherical coordinates, yield mutual agreement. From our ab initio solution, the transition amplitude is extracted, and single differential cross sections are calculated and could be taken as benchmark values to test other numerical methods in a previously unexplored energy domain.

  18. Universal pulse dependence of the low-energy structure in strong-field ionization

    NASA Astrophysics Data System (ADS)

    Zhang, Kaikai; Lai, Yu Hang; Diesen, Elias; Schmidt, Bruno E.; Blaga, Cosmin I.; Xu, Junliang; Gorman, Timothy T.; Légaré, Françis; Saalmann, Ulf; Agostini, Pierre; Rost, Jan M.; DiMauro, Louis F.

    2016-02-01

    We determine quantitatively the laser pulse duration dependence of the low-energy structure (LES) in strong-field atomic ionization and establish its universal character. The electron energy measurement is performed on krypton and argon by varying the duration of a 1.8 μ m midinfrared pulse from two to ten cycles. Comparing the experiment with analytical and numerical results, the soft-recollision mechanism leading to electron momentum bunching is confirmed as the origin of the LES. The universal behavior of the LES peak energy on pulse duration emerges from an analytical description as a product of two factors: one contains the influence of the laser parameters and the target, while the other one describes the pulse duration dependence in terms of optical cycles.

  19. Theoretical study of γ-aminobutyric acid conformers: Intramolecular interactions and ionization energies

    NASA Astrophysics Data System (ADS)

    Wang, Ke-Dong; Wang, Mei-Ting; Meng, Ju

    2014-10-01

    Allowing for all combinations of internal single-bond rotamers, 1,296 unique trial structures of γ-Aminobutyric acid (GABA) are obtained. All of these structures are optimized at the M06-2X level of theory and a total of 68 local minimal conformers are found. The nine low-lying conformers are used for further studies. According to the calculated relative Gibbs free energies at M06-2X level of theory, we find that the dispersion is important for the relative energy of GABA. The intramolecular hydrogen bonds and hyperconjugative interaction and their effects on the conformational stability are studied. The results show that both of them have great influence on the conformers. The vertical ionization energies (VIE) are calculated and match the experimental data well. The results show that the neutral GABA in the gas phase is a multi-conformer system and at least four conformations exist.

  20. The threshold photoelectron spectrum of cyanovinylacetylene leads to an upward revision of the ionization energy

    NASA Astrophysics Data System (ADS)

    Holzmeier, Fabian; Lang, Melanie; Fischer, Ingo; Hemberger, Patrick

    2015-10-01

    Cyanovinylacetylene C5H3N was investigated by threshold photoelectron spectroscopy. The ionization energy (IE) was determined to be 10.04 eV. This value constitutes an upward revision of the earlier value of 9.33 eV. For both stereoisomers (trans and cis) computations predict very similar IEs and spectra. At 11.08 eV and 11.17 eV excited cationic states are observed. For the precursor 3-bromopyridine an IE of 9.34 eV was obtained. The appearance energy AE0K (3-bromopyridine, 3-pyridyl+) was determined to be 11.71 eV and a bond dissociation energy of the Csbnd Br bond in the 3-bromopyridine cation of 229 kJ mol-1 was derived.

  1. 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.

  2. 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.

  3. An ionization chamber with Frisch grids for studies of high-energy neutron-induced fission

    NASA Astrophysics Data System (ADS)

    Tutin, G. A.; Ryzhov, I. V.; Eismont, V. P.; Kireev, A. V.; Condé, H.; Elmgren, K.; Olsson, N.; Renberg, P.-U.

    2001-01-01

    A gridded ionization chamber for fission fragment detection is described. The chamber has been specially designed for use at the quasi-monoenergetic 7Li(p, n) neutron source at the The Svedberg Laboratory, Uppsala, Sweden. The detector permits measurements of fission fragment energy and emission angle for two targets with diameter of up to 10 cm. The time response of the chamber (⩽5 ns FWHM) is adequate to apply time-of-flight discrimination against background events induced by non-peak neutrons. Results of angular anisotropy measurements for the 232Th (n, f) and 238U(n, f) reactions in the 20-160 MeV energy range are given.

  4. 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.

  5. Triple differential cross-section for the ionization of H- at low energies

    NASA Astrophysics Data System (ADS)

    Chauhan, R. K.; Srivastava, M. K.; Srivastava, R.

    2005-09-01

    The triple differential cross-sections (TDCS) for the ionization of H- at excess energies of 8, 10 and 12 eV are calculated using distorted-wave Born approximation in the equal energy sharing and θ ab=180^circ kinematics. The final state electron-electron correlation is included through effective charges and exchange distortion in semi-classical local approximation. The spin state of the exchanging electrons is taken care of. The angular distribution of the TDCS is very different from the case of helium and is found to show peaks at θ a≈ 30^circ and 150^circ. The capture process is found to contribute quite significantly around θa = 90^circ and is supported by the PCI.

  6. 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.

  7. Critically Evaluated Energy Levels and Spectral Lines of Singly Ionized Indium (In II)

    PubMed Central

    Kramida, A

    2013-01-01

    A comprehensive list of the best measured wavelengths in the In II spectrum has been compiled. Uncertainties of the wavelength measurements have been analyzed, and existing inconsistencies have been resolved. An optimized set of fine-structure energy levels that fits all observed wavelengths has been derived. Uncertainties of the energy level values have been reduced by an order of magnitude. An improved value of the ionization limit of In II has been determined by fitting quantum-defect and polarization formulas for several series of levels. Intensities of lines observed by different authors have been analyzed and converted to a uniform scale. A set of recommended values of radiative transition rates has been critically compiled, and uncertainties of these rates have been estimated. The hyperfine structure interval in the 5s 2S ground state of In III has been determined from the measurements of the 5sng and 5snh series in In II. PMID:26401424

  8. Zero kinetic energy (ZEKE) photoelectron spectroscopy of ammonia by nonresonant two-photon ionization from the neutral ground state

    NASA Astrophysics Data System (ADS)

    Reiser, Georg; Habenicht, Wieland; Mueller-Dethlefs, Klaus

    1993-06-01

    Results are presented of nonresonant two-photon zero kinetic energy spectroscopy of ammonia, with resolution down to 0.4/cm. The spectra provide new rotational and vibrational data on the nu(2) vibrational progression of NH3(+). The adiabatic (field corrected) ionization energy is confirmed at 82,159 +/- 1 per cm.

  9. Two-photon double ionization of helium: Evolution of the joint angular distribution with photon energy and two-electron energy sharing

    SciTech Connect

    Zhang Zheng; Peng Liangyou; Xu Minghui; Gong Qihuang; Starace, Anthony F.; Morishita, Toru

    2011-10-15

    Ab initio calculations of two-photon double ionization of helium with photon energies varying from the nonsequential regime to well above the double-ionization threshold are presented. A systematic study of the joint angular distributions of the two ionized electrons at different energy sharing shows that the role of electron correlations is imprinted in the joint angular distribution. In particular, a rather general pattern is identified in the nonsequential regime that is independent of photon energy, pulse length, and energy sharing between the two electrons. Interestingly, the same distribution pattern is found for the equal-energy-sharing case, even when the photon energy is well above the double-ionization threshold. In the case of an extremely uneven energy sharing, the distribution pattern changes drastically as the photon energy is increased. In particular, when the photon energy is greater than the second-ionization threshold, the dominant emission mode of the two electrons switches gradually from ''back to back'' to ''side by side.'' Finally, the joint angular distribution is found to provide clear evidence of the role of electron correlations in the initial state.

  10. Theoretical and experimental investigation of (e,2e) ionization of argon 3p in asymmetric kinematics at intermediate energy

    NASA Astrophysics Data System (ADS)

    Amami, Sadek; Ulu, Melike; Ozer, Zehra Nur; Yavuz, Murat; Kazgoz, Suay; Dogan, Mevlut; Zatsarinny, Oleg; Bartschat, Klaus; Madison, Don

    2014-07-01

    The field of electron-impact ionization of atoms, or (e,2e), has provided significant detailed information about the physics of collisions. For ionization of hydrogen and helium, essentially exact numerical methods have been developed which can correctly predict what will happen. For larger atoms, we do not have theories of comparable accuracy. Considerable attention has been given to ionization of inert gases and, of the inert gases, argon seems to be the most difficult target for theory. There have been several studies comparing experiment and perturbative theoretical approaches over the last few decades, and generally qualitative but not quantitative agreement is found for intermediate energy incident electrons. Recently a nonperturbative method, the B-spline R-matrix (BSR) method, was introduced which appears to be very promising for ionization of heavier atoms. We have recently performed an experimental and theoretical investigation for ionization of argon, and we found that, although the BSR gave reasonably good agreement with experiment, there were also some cases of significant disagreement. The previous study was performed for 200-eV incident electrons and ejected electron energies of 15 and 20 eV. The purpose of the present work is to extend this study to a much larger range of ejected electron energies (15-50 eV) to see if theory gets better with increasing energy as would be expected for a perturbative calculation. The experimental results are compared with both the BSR and two different perturbative calculations.

  11. Precision measurements of ionization and dissociation energies by extrapolation of Rydberg series: from H2 to larger molecules.

    PubMed

    Sprecher, D; Beyer, M; Merkt, F

    2013-01-01

    Recent experiments are reviewed which have led to the determination of the ionization and dissociation energies of molecular hydrogen with a precision of 0.0007 cm(-)1 (8 mJ/mol or 20 MHz) using a procedure based on high-resolution spectroscopic measurements of high Rydberg states and the extrapolation of the Rydberg series to the ionization thresholds. Molecular hydrogen, with only two protons and two electrons, is the simplest molecule with which all aspects of a chemical bond, including electron correlation effects, can be studied. Highly precise values of its ionization and dissociation energies provide stringent tests of the precision of molecular quantum mechanics and of quantum-electrodynamics calculations in molecules. The comparison of experimental and theoretical values for these quantities enable one to quantify the contributions to a chemical bond that are neglected when making the Born-Oppenheimer approximation, i.e. adiabatic, nonadiabatic, relativistic, and radiative corrections. Ionization energies of a broad range of molecules can now be determined experimentally with high accuracy (i.e. about 0.01 cm(-1)). Calculations at similar accuracies are extremely challenging for systems containing more than two electrons. The combination of precision measurements of molecular ionization energies with highly accurateab initio calculations has the potential to provide, in future, fully reliable sets of thermochemical quantities for gas-phase reactions. PMID:23967701

  12. 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.

  13. 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 boron atoms by using the B -spline R -matrix method for electron energies ranging from threshold to 100 eV. Elastic, excitation, and ionization cross sections were obtained for all transitions between the lowest 11 states of boron. A multiconfiguration Hartree-Fock method with nonorthogonal term-dependent orbitals was employed to generate accurate wave functions for the target states. Close-coupling expansions including 13, 51, and 999 physical and pseudo-target states of boron were used to check the sensitivity of the results to changes in the theoretical model. The cross-section dataset obtained from the large-scale calculations is expected to be sufficiently accurate and comprehensive for most current modeling applications involving neutral boron.

  14. A (e,2e +ion) study of low-energy electron-impact ionization of THF

    NASA Astrophysics Data System (ADS)

    Ali, Esam; Ren, Xueguang; Ning, Chuangang; Dorn, Alexander; Madison, Don

    2015-09-01

    We have investigated the Fully Differential Cross Sections (FDCS) for electron impact induced ionization of THF (C4H8O) by low-energy (Eo = 26 eV) for three different orbital states of the highest, next highest, and next-next highest occupied molecular orbitals (HOMO, NHOMO, and Next NHOMO). Theoretical results are compared with experiment for in plane scattering with projectile scattering angles of 15°, 25°, 35°, and 50°. Different theoretical models are examined - the molecular 3 body distorted wave (M3DW), and the distorted wave Born approximation (DWBA), with the effects of the post collision interaction (PCI) treated either exactly or with the Ward-Macek approximations. This work is supported by the US National Science Foundation under Grant No. PHY-1068237 and XSEDE resources provided by the Texas Advanced Computing Center (Grant No. TG-MCA07S029).

  15. 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'.

  16. Experiments with highly ionized low-energy tandem accel-decel beams

    SciTech Connect

    Jones, K.W.; Johnson, B.M.; Meron, M.; Da-Hai, W.; Thieberger, P.; Barrette, J.; Schuch, R.; Schmidt-Boecking, H.; Tserruya, I.; Kruse, T.H.

    1982-01-01

    The present status of the production of low-energy highly ionized beams by the 4-stage tandem accel-decel method is surveyed, and their use in three atomic physics experiments is summarized. The experiments are: the measurement of the charge state dependence of K-x-ray production in S/sup +q/-Ar collisions at 10 MeV, the impact-parameter dependence of quasimolecular x rays in S/sup +15/-Ar collisions again at 10 MeV, and the determination of charge transfer cross sections in S/sup +q/ + Ar, He collisions. The results of the three experiments give evidence that the 4-stage accel-decel ion production technique is extremely powerful and useful.

  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. Internal Energy Deposition for Low Energy, Femtosecond Laser Vaporization and Nanospray Post-ionization Mass Spectrometry using Thermometer Ions

    NASA Astrophysics Data System (ADS)

    Flanigan, Paul M.; Shi, Fengjian; Archer, Jieutonne J.; Levis, Robert J.

    2015-05-01

    The internal energy of p-substituted benzylpyridinium ions after laser vaporization using low energy, femtosecond duration laser pulses of wavelengths 800 and 1042 nm was determined using the survival yield method. Laser vaporization of dried benzylpyridinium ions from metal slides into a buffered nanospray with 75 μJ, 800 nm laser pulses resulted in a higher extent of fragmentation than conventional nanospray due to the presence of a two-photon resonance fragmentation pathway. Using higher energy 800 nm laser pulses (280 and 505 μJ) led to decreased survival yields for the four different dried benzylpyridinium ions. Analyzing dried thermometer ions with 46.5 μJ, 1042 nm pulse-bursts resulted in little fragmentation and mean internal energy distributions equivalent to nanospray, which is attributable to the absence of a two-photon resonance that occurs with higher energy, 800 nm laser pulses. Vaporization of thermometer ions from solution with either 800 nm or 1042 nm laser pulses resulted in comparable internal energy distributions to nanospray ionization.

  20. Internal energy deposition for low energy, femtosecond laser vaporization and nanospray post-ionization mass spectrometry using thermometer ions.

    PubMed

    Flanigan, Paul M; Shi, Fengjian; Archer, Jieutonne J; Levis, Robert J

    2015-05-01

    The internal energy of p-substituted benzylpyridinium ions after laser vaporization using low energy, femtosecond duration laser pulses of wavelengths 800 and 1042 nm was determined using the survival yield method. Laser vaporization of dried benzylpyridinium ions from metal slides into a buffered nanospray with 75 μJ, 800 nm laser pulses resulted in a higher extent of fragmentation than conventional nanospray due to the presence of a two-photon resonance fragmentation pathway. Using higher energy 800 nm laser pulses (280 and 505 μJ) led to decreased survival yields for the four different dried benzylpyridinium ions. Analyzing dried thermometer ions with 46.5 μJ, 1042 nm pulse-bursts resulted in little fragmentation and mean internal energy distributions equivalent to nanospray, which is attributable to the absence of a two-photon resonance that occurs with higher energy, 800 nm laser pulses. Vaporization of thermometer ions from solution with either 800 nm or 1042 nm laser pulses resulted in comparable internal energy distributions to nanospray ionization. PMID:25724375

  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. 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.

  3. 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. PMID:20192297

  4. 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)

  5. 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. PMID:23455248

  6. 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.

  7. Determination of ionization energies of small silicon clusters with vacuum?ultraviolet (VUV) radiation

    SciTech Connect

    Kostko, Oleg; Leone, Stephen R.; Duncan, Michael A.; Ahmed, Musahid

    2009-09-23

    In this work we report on single photon vacuum ultraviolet photoionization of small silicon clusters (n=1-7) produced via laser ablation of Si. The adiabatic ionization energies (AIE) are extracted from experimental photoionization efficiency (PIE) curves with the help of Frank?Condon simulations, used to interpret the shape and onset of the PIE curves. The obtained AIEs are (all energies are in eV): Si (8.13+-0.05), Si2 (7.92+-0.05), Si3 (8.12+-0.05), Si4 (8.2+-0.1), Si5 (7.96+-0.07), Si6 (7.8+-0.1), and Si7 (7.8+-0.1). Most of the experimental AIE values are in good agreement with ab initio electronic structure calculations. To explain observed deviations between the experimental and theoretical AIEs for Si4 and Si6, a theoretical search of different isomers of these species is performed. Electronic structure calculations aid in the interpretation of the a2PIu state of Si2+ dimer in the PIE spectrum. Time dependent density functional theory (TD-DFT) calculations are performed to reveal the energies of electronically excited states in the cations for a number of Si clusters.

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

    PubMed Central

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

    2013-01-01

    Since its discovery during the 1930’s, 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, all applications of the process to date have focused on identification of particle’s 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 (LINAC) x-ray photon beam, we demonstrate the successful three-dimensional (3D) tomographic reconstruction of the imparted dose distribution for the first time. PMID:23455248

  9. Complete description of ionization energy and electron affinity in organic solids: Determining contributions from electronic polarization, energy band dispersion, and molecular orientation

    NASA Astrophysics Data System (ADS)

    Yoshida, Hiroyuki; Yamada, Kazuto; Tsutsumi, Jun'ya; Sato, Naoki

    2015-08-01

    Ionization energy and electron affinity in organic solids are understood in terms of a single molecule perturbed by solid-state effects such as polarization energy, band dispersion, and molecular orientation as primary factors. However, no work has been done to determine the individual contributions experimentally. In this work, the electron affinities of thin films of pentacene and perfluoropentacene with different molecular orientations are determined to a precision of 0.1 eV using low-energy inverse photoemission spectroscopy. Based on the precisely determined electron affinities in the solid state together with the corresponding data of the ionization energies and other energy parameters, we quantitatively evaluate the contribution of these effects. It turns out that the bandwidth as well as the polarization energy contributes to the ionization energy and electron affinity in the solid state while the effect of the surface dipole is at most a few eV and does not vary with the molecular orientation. As a result, we conclude that the molecular orientation dependence of the ionization energy and electron affinity of organic solids originates from the orientation-dependent polarization energy in the film.

  10. High-energy electron-energy spectra of atoms undergoing tunneling and barrier-suppression ionization by superintense linearly polarized laser radiation

    SciTech Connect

    Krainov, V.P.; Sofronov, A.V.

    2004-01-01

    The high-energy electron-energy spectra of atoms and atomic ions undergoing direct tunneling or barrier-suppression ionization by superintense linearly polarized femtosecond laser pulse are derived. The Landau-Dykhne adiabatic approximation is used. The new result is the simple analytic expression for the electron momentum spectrum along the polarization axis and along the other directions in the case of the relativistic quiver electron energies. The contribution from the direct tunneling ionization exceeds the contribution from the ionization occurring in the rescattering processes. The energy spectrum is independent of the laser frequency and of the nonrelativistic ionization potential of the atom (atomic ion) considered. The conclusions have been made that (1) the drift electron energy along the polarization axis is much greater than in other directions. (2) the energy distribution depends on the sign of the electron drift momentum along the propagation of laser radiation, and (3) the electron drift energy is the nonrelativistic quantity even when the quiver electron energy has high ultrarelativistic values.

  11. Dissociation mechanisms of the Ar trimer induced by a third atom in high-energy electron-impact ionization

    NASA Astrophysics Data System (ADS)

    Yan, S.; Zhang, P.; Ma, X.; Xu, S.; Tian, S. X.; Li, B.; Zhu, X. L.; Feng, W. T.; Zhao, D. M.

    2014-06-01

    We experimentally studied the dissociation dynamics of a highly charged Ar3 cluster initiated by a high-energy electron. The dissociation patterns of the correlated ions from a two-body and a three-body Coulombic explosion (CE) of (Ar3)2+ suggest that predissociation alters the evolution of radiative charge transfer. The three-body CE in (Ar3)4+ and (Ar3)5+ is driven, after double ionization of one constituent Ar atom, by single ionization with a simultaneous interatomic Coulombic decay process.

  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. PMID:27100102

  13. 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.

  14. Nuclear and Non-Ionizing Energy-Loss of Electrons with Low and Relativistic Energies in Materials and Space Environment

    NASA Astrophysics Data System (ADS)

    Boschini, M. J.; Consolandi, C.; Gervasi, M.; Giani, S.; Grandi, D.; Ivanchenko, V.; Nieminem, P.; Pensotti, S.; Rancoita, P. G.; Tacconi, M.

    2012-08-01

    The treatment of the electron-nucleus interaction based on the Matt differential cross section was extended to account for effects due to screened Coulomb potentials, finite sizes and finite rest masses of nuclei for electrons above 200keV and up to ultra high energies. This treatment allows one to determine both the total and differential cross sections, thus, subsequently to calculate the resulting nuclear and non-ionizing stopping powers. Above a few hundreds of MeV, neglecting the effect due to finite rest masses of recoil nuclei the stopping power and NIEL result to be largely underestimated. While, above a few tens of MeV, the finite size ofthe nuclear target prevents a further large increase of stopping powers which approach almost constant values.

  15. Numerical studies of the behavior of ionized residual gas in an energy recovering linac

    NASA Astrophysics Data System (ADS)

    Pöplau, Gisela; van Rienen, Ursula; Meseck, Atoosa

    2015-04-01

    Next generation light sources such as energy recovering linacs (ERLs) are highly sensitive to instabilities due to ionized residual gas, which must be mitigated for successful operation. Vacuum pumps are insufficient for removal of the ions, as the ions are trapped by the beam's electrical potential. Two effective measures are (i) introducing clearing gaps in the bunch train, and (ii) installing clearing electrodes which pull out the trapped ions from the electrical potential of the beam. In this paper, we present numerical studies on the behavior of ion clouds that interact with bunch trains in an ERL taking into account the effects of the clearing gaps and clearing electrodes. We present simulations with different compositions of the residual gas. Simulations are done using the MOEVE PIC Tracking software package developed at Rostock University, which has been upgraded to include the behavior of ion clouds in the environment of additional electromagnetic fields, such as generated by clearing electrodes. The simulations use the parameters of the Berlin Energy Recovery Linac Project (bERLinPro) to allow for the deduction of appropriate measures for bERLinPro 's design and operation.

  16. 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.

  17. 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.

  18. Using Variable Ionization Energy Time-of-Flight Mass Spectrometry with Comprehensive GC×GC To Identify Isomeric Species.

    PubMed

    Alam, Mohammed S; Stark, Christopher; Harrison, Roy M

    2016-04-19

    Although GC×GC-ToF-MS allows the separation of thousands of peaks, many of these peaks are not positively identified owing to the lack of mass spectral library data and/or standard materials, leading to a substantial amount of information being inaccessible. The fragmentation patterns of molecules in mass spectrometers using electron impact ionization at 70 eV can be useful for molecule identification, provided a match is available in a published EI MS library, but are indistinguishable for many isomeric organic compounds (for example, linear and branched alkanes). Lower ionization energies have been exploited leading to organic compounds being ionized with lower excess internal energy and less fragmentation, retaining the molecular ion and maximizing its relative signal. This has enabled the identification of a large number of isomeric organic compounds, both aliphatic and aromatic, between C12-C36, in the previously unresolved complex mixture (UCM) of two motor oil samples. This technique also demonstrates problems associated with separation of coeluting isomers, particularly for the n-alkanes, which are routinely measured by 1D GC/MS and may be overestimated, due to coelution. As a consequence retention times in 2 dimensions and mass spectra at variable ionization energies are shown to give unparalleled power to identify specific isomers. PMID:26981641

  19. Low-energy-spread laser wakefield acceleration using ionization injection with a tightly focused laser in a mismatched plasma channel

    NASA Astrophysics Data System (ADS)

    Li, F.; Zhang, C. J.; Wan, Y.; Wu, Y. P.; Xu, X. L.; Hua, J. F.; Pai, C. H.; Lu, W.; Gu, Y. Q.; Mori, W. B.; Joshi, C.

    2016-03-01

    An improved ionization injection scheme for laser wakefield acceleration using a tightly focused laser pulse, with intensity near the ionization threshold to trigger the injection in a mismatched plasma channel, has been proposed and examined via 3D particle-in-cell (PIC) simulations. In this scheme, the key to achieving a very low energy spread is shortening the injection distance through the fast diffraction of the tightly focused laser. Furthermore, the oscillation of the laser envelope in the mismatched plasma channel can induce multiple low-energy-spread injections with an even distribution in both space and energy. The envelope oscillation can also significantly enhance the energy gain of the injected beams compared to the standard non-evolving wake scenario due to the rephasing between the electron beam and the laser wake. A theoretical model has been derived to precisely predict the injection distance, the ionization degree of injection atoms/ions, the electron yield as well as the ionized charge for given laser-plasma parameters, and such expressions can be directly utilized for optimizing the quality of the injected beam. Through 3D PIC simulations, we show that an injection distance as short as tens of microns can be achieved, which leads to ultrashort fs, few pC electron bunches with a narrow absolute energy spread around 2 MeV (rms). Simulations also show that the initial absolute energy spread remains nearly constant during the subsequent acceleration due to the very short bunch length, and this indicates that further acceleration of the electron bunches up to the GeV level may lead to an electron beam with an energy spread well below 0.5%. Such low-energy-spread electron beams may have potential applications for future coherent light sources driven by laser-plasma accelerators.

  20. Geometry and B(1s) core excitons of ortho-carborane

    SciTech Connect

    Green, T.A. )

    1991-07-01

    The optimized C{sub 2v} geometry of ortho-carborane, 1,2-C{sub 2}B{sub 10}H{sub 12}, is determined from Hartree-Fock calculations. For this geometry, a carbon atom is substituted for a boron atom at one of the 4 inequivalent boron sites and the ground-state unrestricted Hartree-Fock eigenvalues and molecular orbitals are found. One thus obtains the valence structure of the B(1s) core-excited molecule according to the Z+1 approximation. The eigenvalue of the highest occupied molecular orbital is then subtracted from the experimental B(1s) ionization energy of the same site in ortho-carborane. This determines the excitation energy of the most tightly bound exciton for that site. Three of the sites yield nearly identical excitation energies of 191.9 eV; the fourth site yields an excitation energy of 190.9 eV.

  1. Evaluation of natural and nitramine binding energies to 3-D models of the S1S2 domains in the N-methyl-D-aspartate receptor.

    PubMed

    Ford-Green, Jason; Isayev, Olexandr; Gorb, Leonid; Perkins, Edward J; Leszczynski, Jerzy

    2012-04-01

    Overactivation of the N-methyl-D-aspartate receptor (NMDAR) in postsynaptic neurons leads to glutamate-related excitotoxicity in the central nervous system of mammals. We have built 3-D models of each domain for the universal screening of potential toxicants and their binding mechanisms. Our docking results show that the calculated pK (i) values of glycine and L: -glutamate significantly increase (>1) when the NR1 and NR2A S1S2 domains are closing, respectively. Inversely, D: -cycloserine (DCS) and 5,7-dichlorokynurenic acid (5,7-DCKA) do not show such a dependence on domain closure. Replica exchange molecular dynamics (REMD) confirmed 5 different conformational states of the S1S2 domain along the 308.2 K temperature trajectory. Analysis of residue fluctuations during this temperature trajectory showed that residues in loop 1, loop 2, the amino terminal domain (ATD), and the area linked to ion channel α-helices are involved in this movement. This further implicates the notion that efficacious ligands act through S1S2 lobe movement which can culminate in the opening or closing of the ion channel. We further tested this by docking hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX) to the S1S2 domain. Our results predict that these nitramines are not efficacious and thus do not produce excitoxicity when they bind to the S1S2 domain of the NMDAR. PMID:21735122

  2. Nuclear effects in protonium formation low-energy three-body reaction: p¯ + (pμ)1s → (p¯p)α + μ-: Strong p¯-p interaction in p¯ + (pμ)1s

    NASA Astrophysics Data System (ADS)

    Sultanov, Renat A.; Guster, Dennis

    2016-06-01

    A three-charge-particle system (p¯, μ-, p+) with an additional matter-antimatter, i.e. p¯-p+, nuclear interaction is the subject of this work. Specifically, we carry out a few-body computation of the following protonium formation reaction: p¯ + (p+μ-)1s → (p¯p+)1s + μ-, where p+ is a proton, p¯ is an antiproton, μ- is a muon, and a bound state of p+ and its counterpart p¯ is a protonium atom: Pn = (p¯p+). The low-energy cross sections and rates of the Pn formation reaction are computed in the framework of a Faddeev-like equation formalism. The strong p¯-p+ interaction is approximately included in this calculation.

  3. Analytic cross sections for 1 1S, to 1 1S to 2 1S, 1 1S to 2 1P transitions in helium by electron impact

    NASA Technical Reports Server (NTRS)

    Sukumar, C. V.; Faisal, F. H. M.

    1971-01-01

    The 1 1s yields 1 1s elastic and 1 1s yields 2 1s and 1 1s yields 2 excitation cross sections of Helium atoms by collision with a charged particle are obtained as analytic functions of incident velocity. The first order time dependent scattering theory is used. Numerical values of electron -He cross sections are obtained for incident energies in the range 30 eV to 800 eV and compared with earlier Born approximation calculations and with available experimental data. It is found that at 100 eV and above, the present results are in good agreement with the experimental results. They are also closer to the experimental results than the corresponding Born calculations.

  4. Effective ionization coefficients, limiting electric fields, and electron energy distributions in CF3I + CF4 + Ar ternary gas mixtures

    NASA Astrophysics Data System (ADS)

    Tezcan, S. S.; Dincer, M. S.; Bektas, S.

    2016-07-01

    This paper reports on the effective ionization coefficients, limiting electric fields, electron energy distribution functions, and mean energies in ternary mixtures of (Trifluoroiodomethane) CF3I + CF4 + Ar in the E/N range of 100-700 Td employing a two-term solution of the Boltzmann equation. In the ternary mixture, CF3I component is increased while the CF4 component is reduced accordingly and the 40% Ar component is kept constant. It is seen that the electronegativity of the mixture increases with increased CF3I content and effective ionization coefficients decrease while the limiting electric field values increase. Synergism in the mixture is also evaluated in percentage using the limiting electric field values obtained. Furthermore, it is possible to control the mean electron energy in the ternary mixture by changing the content of CF3I component.

  5. Production of metastable Ar[sup +] ions by electron-impact ionization of Ar measured by translational-energy spectroscopy

    SciTech Connect

    Kamber, E.Y. ); Enos, C.S.; Brenton, A.G. )

    1993-07-01

    The translational-energy-spectroscopy technique has been used to measure the apparent ionization-excitation functions for the metastable states 3 [sup 4]D, 3[ital d] [sup 4]F, 3[ital d] [sup 2]F, and 3[ital d][prime] [sup 2][ital F] of an Ar[sup +] ion beam extracted from an electron-impact ion source. The initial states were identified from the measured energy loss in the translational-energy spectra for single-electron stripping from ground-state and metastable Ar[sup +] ions in collisions with O[sub 2]. This technique provides an alternative method of selectivity in the study of electron-impact ionization and excitation processes.

  6. Decay of C60 by delayed ionization and C2 emission: Experiment and statistical modeling of kinetic energy release

    NASA Astrophysics Data System (ADS)

    Lebeault, M.-A.; Baguenard, B.; Concina, B.; Calvo, F.; Climen, B.; Lépine, F.; Bordas, C.

    2012-08-01

    C60 molecules highly excited in the nanosecond regime decay following ionization and dissociation by emitting a series of carbon dimers, as well as other small fragments if excitation is strong enough. The fragmentation mass spectrum and kinetic energy release of all charged fragments obtained in these experiments are interpreted within the framework of the Weisskopf theory, using a realistic Monte Carlo procedure in which the rates of all relevant decay channels are modeled using Arrhenius expressions. Comparison between the measurements and the simulated spectra allows the distribution of deposited energy to be accurately estimated. The dependence of the fragment kinetic energies on the laser fluence, found in the simulation but not observed in the experimental results, indicates that the small fragments are not necessarily emitted from small fullerenes resulting from C60 by sequential decay. Rather, direct multifragmentation of C60 is invoked to interpret the observed patterns. The possible role of post-ionization of neutral emitted fragments is discussed.

  7. Perturbation correction factors for the NACP-02 plane-parallel ionization chamber in water in high-energy electron beams.

    PubMed

    Verhaegen, F; Zakikhani, R; Dusautoy, A; Palmans, H; Bostock, G; Shipley, D; Seuntjens, J

    2006-03-01

    Recent dosimetry protocols for clinical high-energy electron beams recommend measurements of absorbed dose-to-water with a plane-parallel or cylindrical ionization chamber. For well-guarded plane-parallel ionization chambers, the ionization chamber perturbation factor in water, p(Q), has a recommended value of unity in all protocols. This assumption was investigated in detail in this study for one of the recommended ionization chambers in the protocols: the Scanditronix NACP-02 plane-parallel ionization chamber. Monte Carlo (MC) simulations of the NACP-02 ionization chamber with the EGSnrc code were validated against backscatter experiments. MC simulations were then used to calculate p(wall), p(cav) and p(Q) perturbation factors and water-to-air Spencer-Attix stopping powers in 4-19 MeV electron beams of a calibration laboratory (NPL), and in 6-22 MeV clinical electron beams from a Varian CL2300 accelerator. Differences between calculated and the currently recommended (Burns et al 1996 Med. Phys. 23 383-8) stopping powers, water-to-air, were found to be limited to 0.9% at depths between the reference depth z(ref) and the depth where the dose has decreased to 50% of the maximum dose, R50. p(wall) was found to exceed unity by 2.3% in the 4 MeV NPL calibration beam at z(ref). For higher energy electron beams p(wall) decreased to a value of about 1%. Combined with a p(cav) about 1% below unity for all energies at z(ref), this was found to cause p(Q) to exceed unity significantly for all energies. In clinical electron beams all three perturbation factors were found to increase with depth. Our findings indicate that the perturbation factors have to be taken into account in calibration procedures and for clinical depth dose measurements with the NACP-02 ionization chamber. PMID:16481689

  8. 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.

  9. Picturing electron capture to the continuum in the transfer ionization of intermediate-energy He2+ collisions with argon

    NASA Astrophysics Data System (ADS)

    Zhang, R. T.; Ma, X.; Zhang, S. F.; Zhu, X. L.; Akula, Susmitha; Madison, D. H.; Li, B.; Qian, D. B.; Feng, W. T.; Guo, D. L.; Liu, H. P.; Yan, S. C.; Zhang, P. J.; Xu, S.; Chen, X. M.

    2013-01-01

    Electron emission occurring in transfer ionization for He2+ collisions with argon has been investigated using cold target recoil ion momentum spectroscopy. The double differential cross sections for electron capture to the continuum of the projectile (cusp-shaped electrons) are presented for collision energies from 17.5 to 75 keV/u. For an energy of 30 keV/u, we find a maximum in the experimental ratio of the cusp-shaped electron yield to the total electron yield. This result is explained in terms of the velocity matching between the projectile ion and the electron initially bound to the target. One of the important issues for double electron transitions is the role of electron-electron correlation. If this correlation is weak, then the transfer-ionization process can be viewed as two separate sequential processes. If this correlation is strong, then the transfer-ionization process would happen simultaneously and not sequentially. Our experimental and theoretical results indicate that correlation is weak and that the first step is target ionization followed by charge capture.

  10. 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.

  11. Electron-impact dissociative double ionization of N2 and CO: Dependence of transition probability on impact energy

    NASA Astrophysics Data System (ADS)

    Pandey, A.; Kumar, P.; Banerjee, S. B.; Subramanian, K. P.; Bapat, B.

    2016-04-01

    We present an experimental and computational analysis of dissociative double ionization of N2 and CO molecules under electron impact. Experiments are performed at three energies, viz. 1, 3, and 5 keV, in order to observe the effect of impact energy on the dissociative ionization kinematics. We compare the kinetic energy release (KER) distributions of the charge symmetric dissociation channels of N22 + and CO2 + at these impact energies. An approximately linear trend between the transition energy and the expected KER values is inferred on the basis of the calculated potential energy curves of the dications. Experimentally, the normalized differential KER cross sections for these channels show an increasing trend in the low KER range and a decreasing trend in the high KER range as the electron-impact energy is increased. This observation indicates that the transition probability for excitation to different molecular ion states is not only a function of energy difference between the ground and excited states, but also a complicated function of the impact energy. In addition, nature of the observed trend in the differential KER cross sections differs significantly from their differential transition probability, which are calculated using inelastic collision model for fast-electron-impact case.

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

    PubMed Central

    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. PMID:26401429

  13. 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. PMID:21280724

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

    NASA Astrophysics Data System (ADS)

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

    2011-01-01

    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 2Σg+. 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.

  15. 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.

  16. Calculations on charge state and energy loss of argon ions in partially and fully ionized carbon plasmas.

    PubMed

    Barriga-Carrasco, Manuel D; Casas, David; Morales, Roberto

    2016-03-01

    The energy loss of argon ions in a target depends on their velocity and charge density. At the energies studied in this work, it depends mostly on the free and bound electrons in the target. Here the random-phase approximation is used for analyzing free electrons at any degeneracy. For the plasma-bound electrons, an interpolation between approximations for low and high energies is applied. The Brandt-Kitagawa (BK) model is employed to depict the projectile charge space distribution, and the stripping criterion of Kreussler et al. is used to determine its equilibrium charge state Q(eq). This latter criterion implies that the equilibrium charge state depends slightly on the electron density and temperature of the plasma. On the other hand, the effective charge Q(eff) is obtained as the ratio between the energy loss of the argon ion and that of the proton for the same plasma conditions. This effective charge Q(eff) is larger than the equilibrium charge state Q(eq) due to the incorporation of the BK charge distribution. Though our charge-state estimations are not exactly the same as the experimental values, our energy loss agrees quite well with the experiments. It is noticed that the energy loss in plasmas is higher than that in the same cold target of about, ∼42-62.5% and increases with carbon plasma ionization. This confirms the well-known enhanced plasma stopping. It is also observed that only a small part of this energy loss enhancement is due to an increase of the argon charge state, namely only ∼2.2 and 5.1%, for the partially and the fully ionized plasma, respectively. The other contribution is connected with a better energy transfer to the free electrons at plasma state than to the bound electrons at solid state of about, ∼38.8-57.4%, where higher values correspond to a fully ionized carbon plasma. PMID:27078472

  17. Calculations on charge state and energy loss of argon ions in partially and fully ionized carbon plasmas

    NASA Astrophysics Data System (ADS)

    Barriga-Carrasco, Manuel D.; Casas, David; Morales, Roberto

    2016-03-01

    The energy loss of argon ions in a target depends on their velocity and charge density. At the energies studied in this work, it depends mostly on the free and bound electrons in the target. Here the random-phase approximation is used for analyzing free electrons at any degeneracy. For the plasma-bound electrons, an interpolation between approximations for low and high energies is applied. The Brandt-Kitagawa (BK) model is employed to depict the projectile charge space distribution, and the stripping criterion of Kreussler et al. is used to determine its equilibrium charge state Qeq. This latter criterion implies that the equilibrium charge state depends slightly on the electron density and temperature of the plasma. On the other hand, the effective charge Qeff is obtained as the ratio between the energy loss of the argon ion and that of the proton for the same plasma conditions. This effective charge Qeff is larger than the equilibrium charge state Qeq due to the incorporation of the BK charge distribution. Though our charge-state estimations are not exactly the same as the experimental values, our energy loss agrees quite well with the experiments. It is noticed that the energy loss in plasmas is higher than that in the same cold target of about, ˜42 -62.5 % and increases with carbon plasma ionization. This confirms the well-known enhanced plasma stopping. It is also observed that only a small part of this energy loss enhancement is due to an increase of the argon charge state, namely only ˜2.2 and 5.1 % , for the partially and the fully ionized plasma, respectively. The other contribution is connected with a better energy transfer to the free electrons at plasma state than to the bound electrons at solid state of about, ˜38.8 -57.4 % , where higher values correspond to a fully ionized carbon plasma.

  18. On the response of the O(1S) dayglow emission rate to the Sun's energy input: An empirical model deduced from WINDII/UARS global measurements

    NASA Astrophysics Data System (ADS)

    Zhang, Shengpan P.; Shepherd, Gordon G.

    2005-03-01

    More than 520,000 emission rate profiles of the O(1S) dayglow (557.7 nm, the atomic oxygen green line) were measured by the Wind Imaging Interferometer (WINDII) on the Upper Atmospheric Research Satellite (UARS) during 1991-1997, providing an unprecedented and unique resource for studying the O(1S) emission layer, its related physics and chemistry, and the response of the mesosphere and thermosphere to the solar input. The daytime O(1S) emission is one of the most remarkable and persistent phenomena in the Earth's atmosphere between 80 and 280 km. The emission has two components, peaking at 140-180 km and 94-104 km. WINDII measurements show that both components are sensitively correlated with the Sun in the sense that (1) for a given day, the peak emission rates in both the F-region and the E-region increase with increasing cosine of the solar zenith angle, the height of the peak emission rate in the F-region decreases with increasing peak emission rate but that in the E-region does not have a clear relationship with the peak emission rate; (2) both the peak emission rate and its height in the F-region as well in the E-region increase with increasing solar irradiance, i.e., they follow the solar cycle. For the first time an empirical model of the green line emission rate and height of the peak emission are derived from WINDII global measurements over six years as functions of the solar zenith angle and the solar irradiance using the daily solar F10.7 cm flux as a proxy. This model provides a baseline for the unperturbed daytime green line emission for any time and any location. Owing to the direct effect of the solar zenith angle, the emission rate is symmetrical with respect to local noon; and globally, it is symmetrical with respect to the equator at equinox, and is much larger in the summer hemisphere than in the winter hemisphere at solstice. As a result, for a constant solar irradiance, the emission rate has an annual oscillation at mid and high latitudes, and

  19. 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. PMID:26438128

  20. 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. PMID:21487637

  1. 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.

  2. 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.

  3. Photoionization mass spectrometric study of HOCl: Photoionization efficiency spectrum and ionization energy

    SciTech Connect

    Thorn, R.P. Jr.; Stief, L.J.

    1999-02-18

    The photoionization efficiency (PIE) spectrum of HOCl was measured over the wavelength range {lambda} = 102--115 nm, using a discharge flow-photoionization mass spectrometer (DF-PIMS) apparatus coupled to a synchrotron radiation source. The PIE spectra displayed steplike behavior near threshold. This study represents the first determination of the HOCl photoionization efficiency spectrum and the photoionization threshold. A value of 11.12{sub 3} {+-} 0.01{sub 8} eV was obtained for the adiabatic ionization energy (IE) of HOCl from analysis of photoion thresholds, corresponding to the HOCl{sup +}(X{sup 2}A{double_prime}) {l_arrow} HOCl(X{sup 1}A{double_prime}) transition. The PIMS result is identical to the only previous experimental measurement and in good agreement with a recent ab initio calculation. From the result for IE(HOCl), a value of 999.4 {+-} 3.6 kJ mol{sup {minus}1} was calculated for {Delta}{sub f}H{degree}{sub 0}(HOCl{sup +}), and from the latter, the proton affinity of ClO at T = 0 K, PA{sub 0}(ClO), was determined to be 629.6 {+-} 3.6 kJ mol{sup {minus}1}. At 298 K, the computed values for {Delta}{sub f}H{degree}{sub 298}(HOCl{sup +}) and PA{sub 298}(ClO) are 996.5 {+-} 3.6 and 635.1 {+-} 3.6 kJ mol{sup {minus}1}, respectively.

  4. 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.

  5. Target structure induced suppression of the ionization cross section for very low energy antiproton-hydrogen collisions.

    PubMed

    Knudsen, H; Torii, H A; Charlton, M; Enomoto, Y; Georgescu, I; Hunniford, C A; Kim, C H; Kanai, Y; Kristiansen, H-P E; Kuroda, N; Lund, M D; McCullough, R W; Tökesi, K; Uggerhøj, U I; Yamazaki, Y

    2010-11-19

    Low energy antiprotons have been used previously to give benchmark data for theories of atomic collisions. Here we present measurements of the cross section for single, nondissociative ionization of molecular hydrogen for impact of antiprotons with kinetic energies in the range 2-11 keV, i.e., in the velocity interval of 0.3-0.65 a.u. We find a cross section which is proportional to the projectile velocity, which is quite unlike the behavior of corresponding atomic cross sections, and which has never previously been observed experimentally. PMID:21231302

  6. 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. PMID:26430991

  7. Calculation of intermediate-energy electron-impact ionization of molecular hydrogen and nitrogen using the paraxial approximation

    SciTech Connect

    Serov, Vladislav V.

    2011-12-15

    We have implemented the paraxial approximation followed by the time-dependent Hartree-Fock method with a frozen core for the single impact ionization of atoms and two-atomic molecules. It reduces the original scattering problem to the solution of a five-dimensional time-dependent Schroedinger equation. Using this method, we calculated the multifold differential cross section of the impact single ionization of the helium atom, the hydrogen molecule, and the nitrogen molecule from the impact of intermediate-energy electrons. Our results for He and H{sub 2} are quite close to the experimental data. Surprisingly, for N{sub 2} the agreement is good for the paraxial approximation combined with first Born approximation but worse for pure paraxial approximation, apparently because of the insufficiency of the frozen-core approximation.

  8. Carbon 1s photoelectron spectroscopy of CF4 and CO: Search for chemical effects on the carbon 1s hole-state lifetime

    NASA Astrophysics Data System (ADS)

    Carroll, Thomas X.; Borve, Knut J.; Saethre, Leif J.; Bozek, John D.; Kukk, Edwin; Hahne, Jeffrey A.; Thomas, T. Darrah

    2002-06-01

    Carbon 1s photoelectron spectra for CF4 and CO have been measured at several photon energies near the carbon 1s threshold. The spectra have been analyzed in terms of the vibrational structure and the natural linewidth. For CO the vibrational structure shows evidence for anharmonicity in both the energy spacing and the intensity. Analysis of the results using an anharmonic model gives an equilibrium bond length for core-ionized CO that is 4.85 pm shorter than that of neutral CO. For CF4, the vibrational structure is very weak, and the analysis shows that the change in equilibrium CF bond length upon ionization is no more than 0.54 pm. Ab initio theoretical calculations give results in accord with these bond-length changes. The unusually small bond-length contraction in CF4 can be understood in terms of nonbonded fluorine-fluorine repulsion. The natural linewidth for core-ionized CO, 95plus-or-minus5 meV, is essentially the same as that of CH4. This result is in contrast with expectations based on the one-center model of Auger decay and earlier predictions based on semiempirical molecular orbital theory. More recent calculations indicate, however, that there is only a small difference between CO and CH4, in agreement with the observed result. For CF4, the natural linewidth is 77plus-or-minus6 meV. This value differs from that for CH4 in the direction expected from the electronegativities of hydrogen and fluorine, but is greater than the prediction based on semiempirical theory. The natural linewidth for CO with a carbon 1s electron excited to the 2pi resonance is 83 meV, which is significantly less than is found for core-ionized CO. Although this difference is supported by theoretical calculations, the direction of the difference is counterintuitive. An overview is presented of the current state of experimental and theoretical knowledge on carbon 1s linewidths.

  9. Ionization at the Noble Gases Ion-Atom Collisions in the 1-7 KeV Energy Range

    NASA Astrophysics Data System (ADS)

    Kikiani, Boris; Chitaladze, Marika; Japaridze, Josif; Kavlashvili, Nana

    2002-10-01

    The absolute total cross sections for production of free electrons, all positive show target gas ions and partial cross sections for production of double charged slow target gas ions at these collisions have been measured. The measurements were carried out by improved transfers electric field ("condenser") and magnetic mass-analyzer methods[1]. It was shown that in the investigated energy range practically there are now slow ions with charged state more than two. Control experiments have been shown that process of electron's liberation from fast particles ("stripping" process) is unlikely in the investigated energy range. Therefore, one can to suppose that total cross sections for productions of free electrons are equal to the total cross sections of ionization of the target gas atoms. For symmetrical pairs of colliding particles (He+ _ He, Ne+ _ Ne , etc) and for pairs He+ _ Ne, Ar+ _ Kr and Kr+ _ Xe values of partial cross-sections are negligible. In the cases of He+ _ Kr and He+ _ Xe pairs value of these partial cross sections increases with colliding energy and reaches about three percent at the energy 4kev. However, in the cases of He+ _ Ar, Na+ _ Ar, Kr, Xe the values of relative portion of the double charged ions in the total amount of slow positive ions are significant (for example in He+ _ Ar collision at the energy of 4kev this portion is about 20-25 percent). Analyzes of the correlation diagrams of the diabetics terms of colliding particles system (MS) [2] show that the electron capture processes are accompanying by simultaneous excitation of auto- ionization states of target gas ions. The decay of these states are responsible for realize of double ionization process of the target gas atoms. 1. B. Kikiani, R.Lomsadze, N. Mosulishvili, Proceedings of Tbilisi State University, Physics, 34, 114, 1999; 2 M. Barat, W.Lichten, Phys. Rev, A6, 211, 1972.

  10. Effects of High-Energy Ionizing Particles on the Si:As Mid-Infrared Detector Array on Board the AKARI Satellite

    NASA Astrophysics Data System (ADS)

    Mouri, A.; Kaneda, H.; Ishihara, D.; Oyabu, S.; Yamagishi, M.; Mori, T.; Onaka, T.; Wada, T.; Kataza, H.

    2011-05-01

    We evaluate the effects of high-energy ionizing particles on the Si:As impurity band conduction (IBC) mid-infrared detector on board AKARI, the Japanese infrared astronomical satellite. IBC-type detectors are known to be little influenced by ionizing radiation. However, we find that the detector is significantly affected by in-orbit ionizing radiation even after spikes induced by ionizing particles are removed. The effects are described as changes mostly in the offset of detector output, but not in the gain. We conclude that the changes in the offset are caused mainly by increase in dark current. We establish a method to correct these ionizing radiation effects. The method is essential to improve the quality and to increase the sky coverage of the AKARI mid-infrared all-sky-survey map.

  11. Hyperspherical partial-wave theory applied to electron-hydrogen-atom ionization calculation for equal-energy-sharing kinematics

    SciTech Connect

    Das, J.N.; Paul, S.; Chakrabarti, K.

    2003-04-01

    Hyperspherical partial-wave theory has been applied here in a new way in the calculation of the triple differential cross sections for the ionization of hydrogen atoms by electron impact at low energies for various equal-energy-sharing kinematic conditions. The agreement of the cross section results with the recent absolute measurements of [J. Roeder, M. Baertschy, and I. Bray, Phys. Rev. A 45, 2951 (2002)] and with the latest theoretical results of the ECS and CCC calculations [J. Roeder, M. Baertschy, and I. Bray, Phys. Rev. A (to be published)] for different kinematic conditions at 17.6 eV is very encouraging. The other calculated results, for relatively higher energies, are also generally satisfactory, particularly for large {theta}{sub ab} geometries. In view of the present results, together with the fact that it is capable of describing unequal-energy-sharing kinematics [J. N. Das, J. Phys. B 35, 1165 (2002)], it may be said that the hyperspherical partial-wave theory is quite appropriate for the description of ionization events of electron-hydrogen-type systems. It is also clear that the present approach in the implementation of the hyperspherical partial-wave theory is very appropriate.

  12. 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. PMID:27224034

  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. 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.

  15. The effect of low-energy electrons on the response of ion chambers to ionizing photon beams

    NASA Astrophysics Data System (ADS)

    La Russa, Daniel J.

    Cavity ionization chambers are one of the most popular and widely used devices for quantifying ionizing photon beams. This popularity originates from the precision of these devices and the relative ease with which ionization measurements are converted to quantities of interest in therapeutic radiology or radiation protection, collectively referred to as radiation dosimetry. The formalisms used for these conversions, known as cavity theory, make several assumptions about the electron spectrum in the low-energy range resulting from the incident photon beam. These electrons often account for a significant fraction of the ion chamber response. An inadequate treatment of low-energy electrons can therefore significantly effect calculated quantities of interest. This thesis sets out to investigate the effect of low-energy electrons on (1) the use of Spencer-Attix cavity theory with 60Co beams; and (2) the standard temperature-pressure correction factor, P TP, used to relate the measured ionization to a set of reference temperature and pressure conditions for vented ion chambers. Problems with the PTP correction are shown to arise when used with kilovoltage x rays, where ionization measurements are due primarily to electrons that do not have enough energy to cross the cavity. A combination of measurements and Monte Carlo calculations using the EGSnrc Monte Carlo code demonstrate the breakdown of PTP in these situations when used with non-air-equivalent chambers. The extent of the breakdown is shown to depend on cavity size, energy of the incident photons, and the composition of the chamber. In the worst case, the standard P TP factor overcorrects the response of an aluminum chamber by ≈12% at an air density typical of Mexico City. The response of a more common graphite-walled chamber with similar dimensions at the same air density is undercorrected by ≈ 2%. The EGSnrc Monte Carlo code is also used to investigate Spencer-Attix cavity theory as it is used in the

  16. 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.

  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. PMID:21141866

  19. 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.

  20. The target effect in transfer ionization in proton-helium and neon collisions at intermediate energies

    NASA Astrophysics Data System (ADS)

    Feng, W. T.; Ma, X.; Zhu, X. L.; Zhang, S. F.; Zhang, R. T.; Guo, D. L.; Li, B.; Yan, S. Y.; Xu, S.; Zhang, P. J.

    2014-04-01

    The velocity distribution of emitted electrons in the transfer ionization (TI) in p-He and p-Ne collisions had been measured at projectile velocity Vp=2 a.u. The characteristics of electrons emission in the scattering plane is significant different from that observed in the TI of He2+-He collision (L. Schmidt et al 2007 Phys. Rev. A 76 012703-1). The mechanism leading to the ejection of electrons has still not been completely understood.

  1. Observation of interatomic Coulombic decay and electron-transfer-mediated decay in high-energy electron-impact ionization of Ar2

    NASA Astrophysics Data System (ADS)

    Yan, S.; Zhang, P.; Ma, X.; Xu, S.; Li, B.; Zhu, X. L.; Feng, W. T.; Zhang, S. F.; Zhao, D. M.; Zhang, R. T.; Guo, D. L.; Liu, H. P.

    2013-10-01

    We measured the kinetic energy distributions of the fragment ions of doubly and quadruply ionized argon dimers using 3000 eV electron impact. For the dissociation of (Ar2)2+, the peak that indicates radiative charge transfer is observed, where the outer-shell ionization (dominant in highly charged ion collision) and the inner-shell ionization (preferential in x-ray experiments) have approximately equal contributions. For the dissociation of (Ar2)4+, the interatomic Coulombic decay and electron-transfer-mediated decay are first observed in the electron-impact process.

  2. Picosecond transient absorption rise time for ultrafast tagging of the interaction of ionizing radiation with scintillating crystals in high energy physics experiments

    NASA Astrophysics Data System (ADS)

    Auffray, E.; Buganov, O.; Fedorov, A.; Korjik, M.; Mechinsky, V.; Tikhomirov, A.; Vasil'ev, A.; Lecoq, P.

    2014-07-01

    Here we report the first results of a search of a signature for picosecond time stamps of the interaction between ionizing particles and transparent crystalline media. The induced absorption with sub-picosecond rise time observed in a cerium fluoride scintillation single crystal under UV excitation is directly associated with the ionization of Ce3+ atoms in CeF3 crystals, and the very fast occurrence thereof can be used to generate picosecond-precise time stamps corresponding to the interaction of ionizing particles with the crystal in high energy physics experiments.

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

    SciTech Connect

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

    2007-03-15

    We report the total integrated cross section (TICS) of two-photon double ionization of helium in the photon energy range from 42 to 50 eV. Our computational procedure relies on a numerical solution of the time-dependent Schroedinger 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 42-50 eV, possibly reaching a maximum in the vicinity of 50 eV. We also present fully resolved triple-differential cross sections for selected photon energies.

  4. Diagnostic signature of low-energy secondary electron emission at the boundary of a partially-ionized plasma

    NASA Astrophysics Data System (ADS)

    Demidov, V. I.; Adams, S. F.; Kaganovich, I. D.; Koepke, M. E.; Kurlyandskaya, I. P.

    2015-09-01

    Effects of secondary electron emission (SEE) from a solid surface in contact with plasma are important for conducting and interpreting plasma experiments and modeling. Those effects are especially strong for contaminated surfaces. Measurements of SEE reported here are conducted in a plasma having a nearly mono-energetic population of electrons that is energetically well resolved and separated from a broader-energy-range electron population. By performing the SEE measurement in an afterglow or afterglow-like plasma, we take advantage of the nearly mono-energetic electron population that arises in ionizing plasma-chemical reactions, such as binary like-particle collisions of metastable atoms. We demonstrate a diagnostic method for measuring the low-energy electron absorption coefficient across the broader energy range and the effects of contamination on the swept-bias probe characteristic trace. A part of this research was performed while VID held a National Research Council Research Associateship Award at AFRL.

  5. Mass analyzed threshold ionization of phenolṡCO: Intermolecular binding energies of a hydrogen-bonded complex

    NASA Astrophysics Data System (ADS)

    Haines, Stephen R.; Dessent, Caroline E. H.; Müller-Dethlefs, Klaus

    1999-08-01

    [PhenolṡCO]+ was studied using a combination of two-color resonant zero kinetic energy (ZEKE) spectroscopy and mass analyzed threshold ionization (MATI) spectroscopy to investigate the interaction of the CO ligand with a hydrogen-bonding cation. Vibrational progressions were observed in three intermolecular modes, the in-plane bend (42 cm-1), stretch (130 cm-1), and in-plane wag (160 cm-1), and are consistent with a planar hydrogen-bonded structure where the CO bonds through the carbon atom to the phenol OH group. Dissociation energies for the S0, S1, and D0 states were determined as 659±20, 849±20, and 2425±10 cm-1, respectively. The cationic and neutral dissociation energies of the phenolṡCO complex are considerably stronger than those of phenolṡN2, demonstrating the extent to which the larger quadrupole of CO affects the strength of binding.

  6. 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.

  7. Muonic Anti-hydrogen Formation in Low-energy Three-body Reactions. Slow bar{p}+(μ^{+}μ^{-})_{1s}} collision

    NASA Astrophysics Data System (ADS)

    Sultanov, Renat A.; Guster, Dennis

    2013-08-01

    A few-body type computation is performed for a three-charge-particle collision with participation of a slow antiproton and a muonic muonium atom (true muonium), i.e. a bound state of two muons in its ground state. The total cross section of the following reaction , where muonic anti-hydrogen is a bound state of an antiproton and positive muon, is computed in the framework of a set of coupled two-component Faddeev-Hahn-type equation. A better known negative muon transfer low energy three-body reaction: is also computed as a test system. Here, t+ is triton and d+ is deuterium.

  8. 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.

  9. Experimental and theoretical triple-differential cross sections for tetrahydrofuran ionized by low-energy 26-eV-electron impact

    NASA Astrophysics Data System (ADS)

    Ali, Esam; Ren, XueGuang; Dorn, Alexander; Ning, Chuangang; Colgan, James; Madison, Don

    2016-06-01

    We report an experimental and theoretical study of low-energy electron-impact ionization of tetrahydrofuran, which is a molecule of biological interest. The experiments were performed using an advanced reaction microscope specially built for electron-impact ionization studies. The theoretical calculations were performed within the molecular three-body distorted-wave model. Reasonably good agreement is found between experiment and theory.

  10. Method for estimating ionicities of oxides using O1s photoelectron spectra

    NASA Astrophysics Data System (ADS)

    Wu, L. Q.; Li, Y. C.; Li, S. Q.; Li, Z. Z.; Tang, G. D.; Qi, W. H.; Xue, L. C.; Ge, X. S.; Ding, L. L.

    2015-09-01

    The average valence, ValO, of the oxygen anions in the perovskite oxide BaTiO3, was found using O1s photoelectron spectra to be -1.55. This experimental result is close to the theoretical value for BaTiO3 (-1.63) calculated by Cohen [Nature 358, 136 (1992)] using density functional theory. Using the same approach, we obtained values of ValO for several monoxides, and investigated the dependence of ValO and the ionicity on the second ionization energy, V(M2+), of the metal cation. We found that the dependence of the ionicity on V(M2+) 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.

  11. Calcium - ionized

    MedlinePlus

    ... at both ionized calcium and calcium attached to proteins. You may need to have a separate ionized calcium test if you have factors that increase or decrease total calcium levels. These may include abnormal blood levels ...

  12. Assessment of small volume ionization chambers as reference dosimeters in high-energy photon beams

    NASA Astrophysics Data System (ADS)

    Le Roy, M.; de Carlan, L.; Delaunay, F.; Donois, M.; Fournier, P.; Ostrowsky, A.; Vouillaume, A.; Bordy, J. M.

    2011-09-01

    LNE-LNHB is involved in a European project aiming at establishing absorbed dose-to-water standards for photon-radiation fields down to 2 × 2 cm2. This requires the calibration of reference ionization chambers of small volume. Twenty-four ionization chambers of eight different types with volume ranging from 0.007 to 0.057 cm3 were tested in a 60Co beam. For each chamber, two major characteristics were investigated: (1) the stability of the measured current as a function of the irradiation time under continuous irradiation. At LNE-LNHB, the variation of the current should be less than ±0.1% in comparison with its first value (over a 16 h irradiation time); (2) the variation of the ionization current with the applied polarizing voltage and polarity. Leakage currents were also measured. Results show that (1) every tested PTW (31015, 31016 and 31014) and Exradin A1SL chambers demonstrate a satisfying stability under irradiation. Other types of chambers have a stability complying with the stability criterion for some or none of them. (2) IBA CC01, IBA CC04 and Exradin A1SL show a proper response as a function of applied voltage for both polarities. PTW, Exradin A14SL and Exradin A16 do not. Only three types of chambers were deemed suitable as reference chambers according to LNE-LNHB requirements and specifications from McEwen (2010 Med. Phys. 37 2179-93): Exradin A1SL chambers (3/3), IBA CC04 (2/3) and IBA CC01 (1/3). The Exradin A1SL type with an applied polarizing voltage of 150 V was chosen as an LNE-LNHB reference chamber type in 2 × 2 cm2 radiation fields.

  13. 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.}

  14. Ionization-site effects on the photofragmentation of chloro- and bromoacetic acid molecules

    NASA Astrophysics Data System (ADS)

    Levola, Helena; Itälä, Eero; Schlesier, Kim; Kooser, Kuno; Laine, Sanna; Laksman, Joakim; Ha, Dang Trinh; Rachlew, Elisabeth; Tarkanovskaja, Marta; Tanzer, Katrin; Kukk, Edwin

    2015-12-01

    Fragmentation of gas-phase chloro- and bromoacetic acid samples, particularly its dependency on the atomic site of the initial core ionization, was studied in photoelectron-photoion-photoion coincidence (PEPIPICO) measurements. The fragmentation was investigated after ionizing carbon 1 s and bromine 3 d or chlorine 2 p core orbitals. It was observed that the samples had many similar fragmentation pathways and that their relative weights depended strongly on the initial ionization site. Additional Auger PEPIPICO measurements revealed a clear dependence of fragment pair intensities on the kinetic energy of the emitted Auger electrons. The modeled and measured Auger electron spectra indicated that the average internal energy of the molecule was larger following the carbon 1 s core-hole decay than after the decay of the halogen core hole. This difference in the internal energies was found to be the source of the site-dependent photofragmentation behavior.

  15. 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

  16. Schwinger variational approach for a direct excitation of hydrogen-like (Li2+ (1s)) target to the level n=3 by proton impact energies from 9 keV to 3 MeV

    NASA Astrophysics Data System (ADS)

    Khelfaoui, Friha; Lasri, Boumediene; Abbes, Oukacha

    2012-06-01

    The excitation cross sections for hydrogen-like (Li2+(1s)) to the 3s, 3p and 3d states by proton impact have been calculated in a wide energy range from 9 keV to 3 MeV, using the Schwinger's variational principle within the impact parameter formalism. These cross sections are relevant to controlled nuclear fusion studies [1]. The behaviors of the computed cross sections are in excellent agreement with available theoretical results, obtained by close-coupling method which is those of TCAO of Ermolaev et al [1] and SCE of Hall et al [2].

  17. Single-photon multiple ionization forming double vacancies in the 2p subshell of argon

    NASA Astrophysics Data System (ADS)

    Linusson, P.; Fritzsche, S.; Eland, J. H. D.; Mucke, M.; Feifel, R.

    2013-04-01

    Single-photon ionization leading to two vacancies in the 2p subshell of argon is investigated experimentally using the photoelectron time-of-flight magnetic bottle coincidence technique. Three peaks corresponding to the 3P, 1D, and 1S states of the dication are found in the ionization energy range 535 to 562 eV. Multiconfigurational Dirac-Fock calculations were performed to estimate the single-photon double-ionization cross sections. Reasonable agreement between the measured and simulated spectra is found if single and double excitations are taken into account in the wave-function expansion.

  18. Electron-impact ionization of neon at low projectile energy: an internormalized experiment and theory for a complex target.

    PubMed

    Pflüger, Thomas; Zatsarinny, Oleg; Bartschat, Klaus; Senftleben, Arne; Ren, Xueguang; Ullrich, Joachim; Dorn, Alexander

    2013-04-12

    As a fundamental test for state-of-the-art theoretical approaches, we have studied the single ionization (2p) of neon at a projectile energy of 100 eV. The experimental data were acquired using an advanced reaction microscope that benefits from high efficiency and a large solid-angle acceptance of almost 4π. We put special emphasis on the ability to measure internormalized triple-differential cross sections over a large part of the phase space. The data are compared to predictions from a second-order hybrid distorted-wave plus R-matrix model and a fully nonperturbative B-spline R-matrix (BSR) with pseudostates approach. For a target of this complexity and the low-energy regime, unprecedented agreement between experiment and the BSR model is found. This represents a significant step forward in the investigation of complex targets. PMID:25167263

  19. Double ionization of helium by 2-keV electrons in equal- and unequal-energy configurations

    NASA Astrophysics Data System (ADS)

    Ambrosio, M. J.; Mitnik, D. M.; Dorn, A.; Ancarani, L. U.; Gasaneo, G.

    2016-03-01

    We present theoretical and experimental fully differential cross sections, in coplanar scattering geometry, for the double ionization of helium by electron impacting at 2 keV. The observed structures for both equal and unequal sharing of the excess energy are analyzed. Although the incident energy could, in principle, be regarded as high enough for the applicability of the first Born approximation in the projectile-target interaction, the experimental cross sections, measured with a COLTRIMS apparatus, show that further orders' effects can be appreciated. The theoretical cross sections are calculated with the generalized Sturmian functions method, which exactly solves the three-body problem that stems from a first-order projectile-target perturbative treatment.

  20. Momentum Distribution of Near-Zero-Energy Photoelectrons in the Strong-Field Tunneling Ionization in the Long Wavelength Limit

    PubMed Central

    Xia, Q. Z.; Ye, D. F.; Fu, L. B.; Han, X. Y.; Liu, J.

    2015-01-01

    We investigate the ionization dynamics of Argon atoms irradiated by an ultrashort intense laser of a wavelength up to 3100 nm, addressing the momentum distribution of the photoelectrons with near-zero-energy. We find a surprising accumulation in the momentum distribution corresponding to meV energy and a “V”-like structure at the slightly larger transverse momenta. Semiclassical simulations indicate the crucial role of the Coulomb attraction between the escaping electron and the remaining ion at an extremely large distance. Tracing back classical trajectories, we find the tunneling electrons born in a certain window of the field phase and transverse velocity are responsible for the striking accumulation. Our theoretical results are consistent with recent meV-resolved high-precision measurements. PMID:26081971

  1. Electron energy balance and ionization in the channel of a stationary plasma thruster

    NASA Astrophysics Data System (ADS)

    Veselovzorov, A. N.; Pogorelov, A. A.; Svirskiy, E. B.; Smirnov, V. A.

    2016-03-01

    The paper presents results of numerical simulations of the electron dynamics in the field of the azimuthal and longitudinal waves excited in the channel of a stationary plasma thruster (SPT). The simulations are based on the experimentally determined wave characteristics. The simulation results show that the azimuthal wave displayed as ionization instability enhances electron transport along the thruster channel. It is established that the electron transport rate in the azimuthal wave increases as compared to the rate of diffusion caused by electron scattering from neutral atoms in proportion to the ratio between the times of electron- neutral collisions responsible for ionization and elastic electron scattering, respectively. An expression governing the plasma conductivity is derived with allowance for electron interaction with the azimuthal wave. The Hall parameter, the electron component of the discharge current, and the electron heating power in the thruster channel are calculated for two model SPTs operating with krypton and xenon. The simulation results agree well with the results of experimental studies of these two SPTs.

  2. Time-of-flight ERD with a 200 mm2 Si3N4 window gas ionization chamber energy detector

    NASA Astrophysics Data System (ADS)

    Julin, Jaakko; Laitinen, Mikko; Sajavaara, Timo

    2014-08-01

    Low energy heavy ion elastic recoil detection work has been carried out in Jyväskylä since 2009 using home made timing detectors, a silicon energy detector and a timestamping data acquisition setup forming a time-of-flight-energy telescope. In order to improve the mass resolution of the setup a new energy detector was designed to replace the silicon solid state detector, which suffered from radiation damage and had poor resolution for heavy recoils. In this paper the construction and operation of an isobutane filled gas ionization chamber with a 14 × 14 mm2 100 nm thick silicon nitride window are described. In addition to greatly improved energy resolution for heavy ions, the detector is also able to detect hydrogen recoils simultaneously in the energy range of 100-1000 keV. Additionally the detector has position sensitivity by means of timing measurement, which can be performed without compromising the performance of the detector in any other way. The achieved position sensitivity improves the depth resolution near the surface.

  3. 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

  4. 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

  5. Comparing multiple exciton generation in quantum dots to impact ionization in bulk semiconductors: implications for enhancement of solar energy conversion.

    PubMed

    Beard, Matthew C; Midgett, Aaron G; Hanna, Mark C; Luther, Joseph M; Hughes, Barbara K; Nozik, Arthur J

    2010-08-11

    Multiple exciton generation (MEG) in quantum dots (QDs) and impact ionization (II) in bulk semiconductors are processes that describe producing more than one electron-hole pair per absorbed photon. We derive expressions for the proper way to compare MEG in QDs with II in bulk semiconductors and argue that there are important differences in the photophysics between bulk semiconductors and QDs. Our analysis demonstrates that the fundamental unit of energy required to produce each electron-hole pair in a given QD is the band gap energy. We find that the efficiency of the multiplication process increases by at least 2 in PbSe QDs compared to bulk PbSe, while the competition between cooling and multiplication favors multiplication by a factor of 3 in QDs. We also demonstrate that power conversion efficiencies in QD solar cells exhibiting MEG can greatly exceed conversion efficiencies of their bulk counterparts, especially if the MEG threshold energy can be reduced toward twice the QD band gap energy, which requires a further increase in the MEG efficiency. Finally, we discuss the research challenges associated with achieving the maximum benefit of MEG in solar energy conversion since we show the threshold and efficiency are mathematically related. PMID:20698615

  6. Comparing Multiple Exciton Generation in Quantum Dots To Impact Ionization in Bulk Semiconductors: Implications for Enhancement of Solar Energy Conversion

    SciTech Connect

    Beard, Matthew C.; Midgett, Aaron G.; Hanna, Mark C.; Luther, Joseph M.; Hughes, Barbara K.; Nozik, Arthur J.

    2010-07-26

    Multiple exciton generation (MEG) in quantum dots (QDs) and impact ionization (II) in bulk semiconductors are processes that describe producing more than one electron-hole pair per absorbed photon. We derive expressions for the proper way to compare MEG in QDs with II in bulk semiconductors and argue that there are important differences in the photophysics between bulk semiconductors and QDs. Our analysis demonstrates that the fundamental unit of energy required to produce each electron-hole pair in a given QD is the band gap energy. We find that the efficiency of the multiplication process increases by at least 2 in PbSe QDs compared to bulk PbSe, while the competition between cooling and multiplication favors multiplication by a factor of 3 in QDs. We also demonstrate that power conversion efficiencies in QD solar cells exhibiting MEG can greatly exceed conversion efficiencies of their bulk counterparts, especially if the MEG threshold energy can be reduced toward twice the QD band gap energy, which requires a further increase in the MEG efficiency. Finally, we discuss the research challenges associated with achieving the maximum benefit of MEG in solar energy conversion since we show the threshold and efficiency are mathematically related.

  7. A VUV photoionization measurement and ab-initio calculation of the ionization energy of gas phase SiO2

    SciTech Connect

    Kostko, Oleg; Ahmed, Musahid; Metz, Ricardo B.

    2008-12-05

    In this work we report on the detection and vacuum-ultraviolet (VUV) photoionization of gas phase SiO2 generated in situ via laser ablation of silicon in a CO2 molecular beam. The resulting species are investigated by single photon ionization with tunable VUV synchrotron radiation and mass analyzed using reflectron mass spectrometry. Photoionization efficiency (PIE) curves are recorded for SiO and SiO2 and ionization energy estimates are revealed from such measurements. A state-to-state ionizationenergy of 12.60 (+-0.05) eV is recorded by fitting two prominent peaks in the PIE curve for the following process: 1SUM O-Si-O --> 2PRODg [O-Si-O]+. Electronic structure calculations aid in the interpretation of the photoionization process and allow for identification of the symmetric stretch of 2PRODg [O-Si-O]+ which is observed in the PIE spectrum to be 0.11 eV (890 cm-1) above the ground state of the cation and agrees with the 892 cm-1 symmetric stretch frequency calculated at the CCSD(T)/aug-cc-pVTZ level.

  8. 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.

  9. Slalom in complex time: Emergence of low-energy structures in tunnel ionization via complex-time contours

    NASA Astrophysics Data System (ADS)

    Pisanty, Emilio; Ivanov, Misha

    2016-04-01

    The ionization of atoms by strong, low-frequency fields can generally be described well by assuming that the photoelectron is, after the ionization step, completely at the mercy of the laser field. However, certain phenomena, like the recent discovery of low-energy structures (LESs) in the long-wavelength regime, require the inclusion of the Coulomb interaction with the ion once the electron is in the continuum. We explore the first-principles inclusion of this interaction, known as analytical R -matrix theory, and its consequences on the corresponding quantum orbits. We show that the trajectory must have an imaginary component, and that this causes branch cuts in the complex time plane when the real trajectory revisits the neighborhood of the ionic core. We provide a framework for consistently navigating these branch cuts based on closest-approach times, which satisfy the equation r (t ).v (t )=0 in the complex plane. We explore the geometry of these roots and describe the geometrical structures underlying the emergence of LESs in both the classical and quantum domains.

  10. The C 1s and N 1s near edge x-ray absorption fine structure spectra of five azabenzenes in the gas phase.

    PubMed

    Vall-llosera, G; Gao, B; Kivimäki, A; Coreno, M; Alvarez Ruiz, J; de Simone, M; Agren, H; Rachlew, E

    2008-01-28

    Near edge x-ray absorption fine structure spectra have been measured and interpreted by means of density functional theory for five different azabenzenes (pyridine, pyridazine, pyrimidine, pyrazine, and s-triazine) in the gas phase. The experimental and theoretical spectra at the N 1s and C 1s edges show a strong resonance assigned to the transition of the 1s electron in the respective N or C atoms to the lowest unoccupied molecular orbital with pi(*) symmetry. As opposed to the N 1s edge, at the C 1s edge this resonance is split due to the different environments of the core hole atom in the molecule. The shift in atomic core-level energy due to a specific chemical environment is explained with the higher electronegativity of the N atom compared to the C atom. The remaining resonances below the ionization potential (IP) are assigned to sigma or pi [corrected] orbitals with mixed valence/Rydberg [corrected] character. Upon N addition, a reduction of intensity is observed in the Rydberg region at both edges as compared to the intensity in the continuum. Above the IP one or more resonances are seen and ascribed here to transitions to sigma(*) orbitals. Calculating the experimental and theoretical Delta(pi) term values at both edges, we observe that they are almost the same within +/-1 eV as expected for isoelectronic bonded pairs. The term values of the pi(*) and sigma(*) resonances are discussed in terms of the total Z number of the atoms participating in the bond. PMID:18247958

  11. Relative Abundances and Energy Spectra of C, N, and 0 as Measured by the Advanced Thin Ionization Calorimeter Balloon Experiment

    NASA Technical Reports Server (NTRS)

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

    2003-01-01

    We present results on the spectra and the relative abundances of C, N, and 0 nuclei in the cosmic radiation as measured from the Advanced Thin Ionization Calorimeter Balloon Experiment (ATIC) . The ATIC detector has completed two successful balloon flights from McMurdo, Antarctica lasting a total of more than 35 days. ATIC is designed as a multiple, long duration balloon flight, investigation of the cosmic ray spectra from below 50 GeV to near 100 TeV total energy, using a fully active Bismuth Germanate calorimeter. It is equipped with a large area mosaic of silicon detector pixels capable of charge identification from H to Fe. As a redundancy check for the charge identification and a particle tracking system, three projective layers of x-y scintillator hodoscopes were employed, above, in the middle and below a 0.75 nuclear interaction length graphite target.

  12. 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.

  13. 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.

  14. Attosecond pulse carrier-envelope phase effects on ionized electron momentum and energy distributions: roles of frequency, intensity and an additional IR pulse

    NASA Astrophysics Data System (ADS)

    Peng, Liang-You; Pronin, Evgeny A.; Starace, Anthony F.

    2008-02-01

    The effects of the carrier-envelope phase (CEP) of a few-cycle attosecond pulse on ionized electron momentum and energy spectra are analyzed, both with and without an additional few-cycle IR pulse. In the absence of an IR pulse, the CEP-induced asymmetries in the ionized electron momentum distributions are shown to vary as the 3/2 power of the attosecond pulse intensity. These asymmetries are also found to satisfy an approximate scaling law involving the frequency and intensity of the attosecond pulse. In the presence of even a very weak IR pulse (having an intensity of the order of 1011 1012 W cm-2), the attosecond pulse CEP-induced asymmetries in the ionized electron momentum distributions are found to be significantly augmented. In addition, for higher IR laser intensities, we observe for low electron energies peaks separated by the IR photon energy in one electron momentum direction along the laser polarization axis; in the opposite direction, we find structured peaks that are spaced by twice the IR photon energy. Possible physical mechanisms for such asymmetric, low-energy structures in the ionized electron momentum distribution are proposed. Our results are based on single-active-electron solutions of the three-dimensional, time-dependent Schrödinger equation including atomic potentials appropriate for the H and He atoms.

  15. Evaluation of highly ionizing components in high-energy nucleon radiation fields

    NASA Technical Reports Server (NTRS)

    Wilson, John W.; Townsend, Lawrence W.; Khan, Ferdous

    1989-01-01

    The data and models for nuclear fragment recoil distribution produced by high-energy nuclear events in tissue are reviewed. Results for linear energy transfer distributions in soft tissue are derived, and a simple model is developed for use in radiation studies and risk estimates.

  16. Photon-energy dependence of single-photon simultaneous core ionization and core excitation in CO2

    NASA Astrophysics Data System (ADS)

    Carniato, S.; Selles, P.; Lablanquie, P.; Palaudoux, J.; Andric, L.; Nakano, M.; Hikosaka, Y.; Ito, K.; Marchenko, T.; Travnikova, O.; Goldsztejn, G.; Journel, L.; Guillemin, R.; Céolin, D.; Simon, M.; Piancastelli, M. N.; Penent, F.

    2016-07-01

    We have studied the K-2V process corresponding to simultaneous K -shell ionization and K -shell excitation in the C O2 molecule. We define these K-2V states as super shake-up, at variance with the "conventional" K-1v-1V shake-up states. While the nature and evolution with photon energy of the conventional shake-up satellites has been the object of many studies, no such data on a large photon-energy range were previously reported on super shake-up. The C O2 molecule is a textbook example because it exhibits two well-isolated K-2V resonances (with V being 2 πu* and 5 σg* ) with different symmetries resulting from shake-up processes of different origin populated in comparable proportions. The variation of the excitation cross section of these two resonances with photon energy is reported, using two different experimental approaches, which sheds light on the excitation mechanisms. Furthermore, double-core-hole spectroscopy is shown to be able to integrate and even expand information provided by conventional single-core-hole X-ray Photoelectron Spectroscopy (XPS) and Near-Edge X-ray Absorption Fine Structure (NEXAFS) techniques, revealing, for instance, g -g dipole forbidden transitions which are only excited in NEXAFS spectra through vibronic coupling.

  17. Photoionization with excitation and double photoionization of the Li{sup +} ground 1 {sup 1}S state and metastable 2 {sup 1,3}S states

    SciTech Connect

    Kleiman, U.; Pindzola, M.S.; Robicheaux, F.

    2005-08-15

    Partial cross-sections for photoionization with excitation of Li{sup +} leaving the remaining bound electron in the 1s, 2s, 2p, 3s, 3p, and 3d states and total cross-sections for double photoionization have been calculated employing the time-dependent close-coupling method. The calculations include both the ground state 1s{sup 2} {sup 1}S and the two lowest metastable excited states 1s2s {sup 1,3}S. Photon energies below and up to about 200 eV above the respective thresholds for double ionization are considered. Comparisons are drawn mainly with convergent close-coupling results [A. S. Kheifets and I. Bray, Phys. Rev. A 58, 4501 (1998)] and B-spline based R-matrix results [H. W. van der Hart and L. Feng, J. Phys. B 34, L601 (2001)].

  18. 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...

  19. 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…

  20. Numerical models for the diffuse ionized gas in galaxies. I. Synthetic spectra of thermally excited gas with turbulent magnetic reconnection as energy source

    NASA Astrophysics Data System (ADS)

    Hoffmann, T. L.; Lieb, S.; Pauldrach, A. W. A.; Lesch, H.; Hultzsch, P. J. N.; Birk, G. T.

    2012-08-01

    Aims: The aim of this work is to verify whether turbulent magnetic reconnection can provide the additional energy input required to explain the up to now only poorly understood ionization mechanism of the diffuse ionized gas (DIG) in galaxies and its observed emission line spectra. Methods: We use a detailed non-LTE radiative transfer code that does not make use of the usual restrictive gaseous nebula approximations to compute synthetic spectra for gas at low densities. Excitation of the gas is via an additional heating term in the energy balance as well as by photoionization. Numerical values for this heating term are derived from three-dimensional resistive magnetohydrodynamic two-fluid plasma-neutral-gas simulations to compute energy dissipation rates for the DIG under typical conditions. Results: Our simulations show that magnetic reconnection can liberate enough energy to by itself fully or partially ionize the gas. However, synthetic spectra from purely thermally excited gas are incompatible with the observed spectra; a photoionization source must additionally be present to establish the correct (observed) ionization balance in the gas.

  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. Ionization Energies, Electron Affinities, and Polarization Energies of Organic Molecular Crystals: Quantitative Estimations from a Polarizable Continuum Model (PCM)-Tuned Range-Separated Density Functional Approach.

    PubMed

    Sun, Haitao; Ryno, Sean; Zhong, Cheng; Ravva, Mahesh Kumar; Sun, Zhenrong; Körzdörfer, Thomas; Brédas, Jean-Luc

    2016-06-14

    We propose a new methodology for the first-principles description of the electronic properties relevant for charge transport in organic molecular crystals. This methodology, which is based on the combination of a nonempirical, optimally tuned range-separated hybrid functional with the polarizable continuum model, is applied to a series of eight representative molecular semiconductor crystals. We show that it provides ionization energies, electron affinities, and transport gaps in very good agreement with experimental values, as well as with the results of many-body perturbation theory within the GW approximation at a fraction of the computational costs. Hence, this approach represents an easily applicable and computationally efficient tool to estimate the gas-to-crystal phase shifts of the frontier-orbital quasiparticle energies in organic electronic materials. PMID:27183355

  3. Ionization Energies and Aqueous Redox Potentials of Organic Molecules: Comparison of DFT, Correlated ab Initio Theory and Pair Natural Orbital Approaches.

    PubMed

    Isegawa, Miho; Neese, Frank; Pantazis, Dimitrios A

    2016-05-10

    The calculation of redox potentials involves large energetic terms arising from gas phase ionization energies, thermodynamic contributions, and solvation energies of the reduced and oxidized species. In this work we study the performance of a wide range of wave function and density functional theory methods for the prediction of ionization energies and aqueous one-electron oxidation potentials of a set of 19 organic molecules. Emphasis is placed on evaluating methods that employ the computationally efficient local pair natural orbital (LPNO) approach, as well as several implementations of coupled cluster theory and explicitly correlated F12 methods. The electronic energies are combined with implicit solvation models for the solvation energies. With the exception of MP2 and its variants, which suffer from enormous errors arising at least partially from the poor Hartree-Fock reference, ionization energies can be systematically predicted with average errors below 0.1 eV for most of the correlated wave function based methods studies here, provided basis set extrapolation is performed. LPNO methods are the most efficient way to achieve this type of accuracy. DFT methods show in general larger errors and suffer from inconsistent behavior. The only exception is the M06-2X functional which is found to be competitive with the best LPNO-based approaches for ionization energies. Importantly, the limiting factor for the calculation of accurate redox potentials is the solvation energy. The errors in the predicted solvation energies by all continuum solvation models tested in this work dominate the final computed reduction potential, resulting in average errors typically in excess of 0.3 V and hence obscuring the gains that arise from choosing a more accurate electronic structure method. PMID:27065224

  4. Angle-resolved photoelectron spectroscopy of sequential three-photon triple ionization of neon at 90.5 eV photon energy

    SciTech Connect

    Rouzee, A.; Siu, W.; Huismans, Y.; Johnsson, P.; Gryzlova, E. V.; Fukuzawa, H.; Yamada, A.; Ueda, K.; Louis, E.; Bijkerk, F.; Holland, D. M. P.; Grum-Grzhimailo, A. N.; Kabachnik, N. M.; Vrakking, M. J. J.

    2011-03-15

    Multiple photoionization of neon atoms by a strong 13.7 nm (90.5 eV) laser pulse has been studied at the FLASH free electron laser in Hamburg. A velocity map imaging spectrometer was used to record angle-resolved photoelectron spectra on a single-shot basis. Analysis of the evolution of the spectra with the FEL pulse energy in combination with extensive theoretical calculations allows the ionization pathways that contribute to be assigned, revealing the occurrence of sequential three-photon triple ionization.

  5. 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.

  6. Geometry and B(1s) core excitons of ortho-carborane

    SciTech Connect

    Green, T.A.

    1990-01-01

    The optimized C{sub 2v} geometry of ortho-carborane, 1,2-C{sub 2}B{sub 10}H{sub 12}, is determined from Hartree-Fock calculations. For this geometry, a carbon atom is substituted for a boron atom at one of the 4 inequivalent boron sites and the ground-state unrestricted Hartree-Fock eigenvalues and molecular orbitals are found. One thus obtains the valence structure of the B(1s) core-excited molecule according to the Z + 1 approximation. The eigenvalue of the highest occupied molecular orbital is then subtracted from the experimental B(1s) ionization energy of the same site in ortho-carborane. This determines the excitation energy of the most tightly bound exciton for that site. Three of the sites yield nearly identical excitation energies of 191.9 eV; the fourth site yields an excitation energy of 190.9 eV. 8 refs., 1 fig., 2 tabs.

  7. Low-Energy Structures in Strong Field Ionization Revealed by Quantum Orbits

    SciTech Connect

    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 Schroedinger 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 et al., Nature Phys. 5, 335 (2009) and W. Quan et al., Phys. Rev. Lett. 103, 093001 (2009)].

  8. 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). PMID:21231586

  9. 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.

  10. Complex-Kohn Approach to Molecular Ionization by High-Energy Electrons: Application to H2, H2O and CH4

    NASA Astrophysics Data System (ADS)

    Lin, Chih-Yuan; McCurdy, C. W.; Rescigno, T. N.

    2014-05-01

    The complex Kohn variational method, which has been extensively applied to low-energy molecule scattering, is extended to treat molecular ionization by fast electrons under the assumption that the incident and scattered electrons can be described by plane-waves. In contrast to other perturbative approches, the interaction between the slow ejected electron and the residual molecular ion is treated by a close-coupling method and for that we employ the complex Kohn variational method. The formulation reduces to the computation of the continuum generalized oscillation strength, which amounts to a generalization of the molecular photoionization problem to which the Kohn method has been successfully applied. The essential point is that the use of a correct electron-ion scattering wave function as the final state for the ejected electron enables us to treat high-energy electron impact ionization of molecules at the same level of sophistication achieved for atomic targets. We will present fully differential cross sections for ionization of water and methane, as well as for excitation/ionization of H2, along with comparisons to available experimental data. Work performed under the auspices of the US DOE by the LBNL and supported by the U.S. DOE Office of Basic Energy Sciences, Division of Chemical Sciences.

  11. 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 +}.

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

    PubMed

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

    2014-10-01

    We study the low-energy (E0 = 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 C4H8O(+), C4H7O(+), C2H3O(+), C3H6(+), C3H5(+), C3H3(+), CH3O(+), CHO(+), and C2H3(+). PMID:25296813

  13. 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.

  14. Evidence of Double-Electron Capture by Highly-ionized Atoms Isolated at Very Low Energy

    NASA Astrophysics Data System (ADS)

    Fogwell Hoogerheide, Shannon; Sahiner, Arda; Tan, Joseph N.

    2015-05-01

    Electron capture processes are important in the study of comets, controlled fusion energy, anti-matter atoms, and proposed one-electron ions in Rydberg states. There are few studies for low energy. At NIST, highly-charged ions extracted from an electron-beam ion trap can be isolated with <10 eV energy using a recently developed compact Penning trap. By controlling the background gas pressure and composition, the charge exchange rates can be studied. Fully stripped neon 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 yields information about the trap loss and single-electron capture rates. Moreover, evidence of double-electron capture is observed at low background gas pressures. Related work involves the resonant charge exchange of fully-stripped neon ions with laser-excited rubidium atoms to produce highly-excited one-electron ions, enabling a new measurement of the Rydberg constant. SFH funded by a National Research Council Research Associateship Award

  15. 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.

  16. 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.

  17. 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.

  18. Thimble ionization chambers in medium-energy x-ray beams and the role of constructive details of the central electrode: Monte Carlo simulations and measurements

    NASA Astrophysics Data System (ADS)

    Ubrich, F.; Wulff, J.; Kranzer, R.; Zink, K.

    2008-09-01

    This paper presents investigations of thimble ionization chamber response in medium-energy kilovoltage x-ray beams (70-280 kVp, 0.09-3.40 mm Cu HVL). Two thimble ionization chambers (PTW30015 and PTW30016) were investigated, regarding the influence of the central electrode dimensions made of aluminum. Measurements were carried out in photon fields of different beam quality. Corresponding Monte Carlo simulations employing the EGSnrc Monte Carlo code system were performed. The simulations included the modelling of the x-ray tube and measurement setup for generation of x-ray spectra. These spectra were subsequently used to calculate the absorbed energy in the air cavity of the two thimble ionization chamber models and the air kerma at the reference point of the chambers. Measurements and simulations revealed an optimal diameter of the central electrode, concerning an almost energy-independent response of the ionizaton chamber. The Monte Carlo simulations are in good agreement with the measured values, expressed in beam quality correction factors kQ. The agreement was generally within 0.6% but could only be achieved with an accurate model of the central electrode including its exact shape. Otherwise, deviations up to 8.5% resulted, decreasing with higher photon energies, which can be addressed to the high yield of the photoelectric effect in the electrode material aluminum at low photon energies.

  19. Theoretical prediction of the ionization energies of the C4H7 radicals: 1-methylallyl, 2-methylallyl, cyclopropylmethyl, and cyclobutyl radicals.

    PubMed

    Lau, Kai-Chung; Zheng, Wenxu; Wong, Ning-Bew; Li, Wai-Kee

    2007-10-21

    The ionization energies (IEs) for the 1-methylallyl, 2-methylallyl, cyclopropylmethyl, and cyclobutyl 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 are included in these calculations. The present CCSD(T)/CBS results are then compared with the IEs determined in the photoelectron experiment by Schultz et al. [J. Am. Chem. Soc. 106, 7336 (1984)] The predicted IE value (7.881 eV) of 2-methylallyl radical is found to compare very favorably with the experimental value of 7.90+/-0.02 eV. Two ionization transitions for cis-1-methylallyl and trans-1-methylallyl radicals have been considered here. The comparison between the predicted IE values and the previous measurements shows that the photoelectron peak observed by Schultz et al. likely corresponds to the adiabatic ionization transition for the trans-1-methylallyl radical to form trans-1-methylallyl cation. Although a precise IE value for the cyclopropylmethyl radical has not been directly determined, the experimental value deduced indirectly using other known energetic data is found to be in good accord with the present CCSD(T)/CBS prediction. We expect that the Franck-Condon factor for ionization transition of c-C4H7-->bicyclobutonium is much less favorable than that for ionization transition of c-C4H7-->planar-C4H7+, and the observed IE in the previous photoelectron experiment is likely due to the ionization transition for c-C4H7-->planar-C4H7+. Based on our CCSD(T)/CBS prediction, the ionization transition of c-C4H7-->bicyclobutonium with an IE value around 6.92 eV should be taken as the adiabatic ionization transition for the cyclobutyl radical. The present

  20. 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.

  1. Multiple ionization of helium and krypton by electron impact close to threshold: appearance energies and Wannier exponents

    NASA Astrophysics Data System (ADS)

    Denifl, S.; Gstir, B.; Hanel, G.; Feketeova, L.; Matejcik, S.; Becker, K.; Stamatovic, A.; Scheier, P.; Märk, T. D.

    2002-11-01

    We determined appearance energy (AE) values AE(Xn+/X) for the formation of singly (He+) and doubly charged (He2+) He ions and multiply charged Kr ions Krn+ up to n = 6 following electron impact on He and Kr atoms using a high-resolution electron impact ionization mass spectrometer. The data analysis employs an iterative, non-linear least-squares fitting routine, the Marquart-Levenberg algorithm, in conjunction with either a 2-function or a 3-function fit based on a power threshold law. This allows us to extract the relevant AEs and also the corresponding exponents for a Wannier-type power law from the measured near-threshold data. The values of the AEs determined in this work are compared with other available experimental and with spectroscopic AE values and the extracted exponents p are compared with other available experimental data and with the predictions of the various Wannier-type power law models. One observation is particularly noteworthy, namely the fact that none of the available experimental data seem to support the large values of 'p' predicted by the Wannier-Geltman and the generalized Wannier law for n > 3.

  2. Electron impact multiple ionization of neon, argon and xenon atoms close to threshold: appearance energies and Wannier exponents

    NASA Astrophysics Data System (ADS)

    Gstir, B.; Denifl, S.; Hanel, G.; Rümmele, M.; Fiegele, T.; Cicman, P.; Stano, M.; Matejcik, S.; Scheier, P.; Becker, K.; Stamatovic, A.; Märk, T. D.

    2002-07-01

    We report the results of the experimental determination of the appearance energy values AE(Xn + /X) for the formation of multiply charged Ne, Ar and Xe ions up to n = 4 (Ne), n = 6 (Ar) and n = 8 (Xe) following electron impact on Ne, Ar and Xe atoms using a dedicated high-resolution electron impact ionization mass spectrometer. The data analysis uses the Marquart-Levenberg algorithm, which is an iterative, nonlinear least-squares-fitting routine, in conjunction with either a two-function or a three-function fit based on a power threshold law. This allows us to extract the relevant AEs and corresponding exponents for a Wannier-type power law from the measured near-threshold data. The values of the AEs determined in this work are compared with other available experimental and spectroscopic values of the AEs and the extracted exponents are compared with other available experimental data and with the predictions of the various Wannier-type power law models.

  3. Computation of the atomic radii through the conjoint action of the effective nuclear charge and the ionization energy

    NASA Astrophysics Data System (ADS)

    Chakraborty, Tanmoy; Gazi, Kamarujjaman; Ghosh, Dulal C.

    2010-08-01

    A new ansatz for computing the absolute radii (r) of the atoms based upon the conjoint action of two periodic properties namely, ionization energy (I) and effective nuclear charge (Zeff ) is proposed as r = a(1/I) + b(1/Zeff ) + c, where a, b and c are constants, determined by regression analysis. The ansatz is invoked to calculate sizes of atoms of 103 elements of the periodic table. In the absence of any benchmark to perform a validity test of any set of atomic size, reliance is upon the 'sine qua non' of a set of atomic size. The express periodicity of periods and groups exhibited by the computed size data, d and f block contraction and the manifest relativistic effect in the sizes of lanthanoids and actinoids, etc. speak volumes for the efficacy of the present method. Furthermore, size data have been linked to compute some physical descriptors of the real world, such as equilibrium internuclear distances of a good number of heteronuclear diatomic molecules as validity test. A comparative study of the theoretical vis-à-vis experimental equilibrium inter-nuclear distances reveals that there is close agreement between the theoretical prediction and experimental determination.

  4. 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].

  5. "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.

  6. "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. PMID:26486514

  7. Hard X-Ray Emission and the Ionizing Source in LINERs

    NASA Technical Reports Server (NTRS)

    Terashima, Y.; Ho, L. C.; Ptak, A. F.

    2004-01-01

    We report X-ray luminosities of 21 LINERs (low-ionization nuclear emission-line regions) and 17 low-luminosity Seyferts obtained with ASCA and discuss the ionizing source in LINERs. Most LINERs with broad H-alpha emission in their optical spectra (LINER 1s) have a compact hard X-ray source and their 2-10 keV X-ray luminosities (LX) are proportional to their H alpha luminosities (L-H-alpha). This correlation strongly supports the hypothesis that the dominant ionizing source in LINER 1s is photoionization by hard photons from low-luminosity AGNs. Although some LINERs without broad H-alpha emission (LINER 2s) have X-ray properties similar to LINER 1s, the X-ray luminosities of many 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 something other than an AGN, or that an AGN, if present, is obscured even at energies above 2 keV. LINER 2s having small LX/LH-alpha occupy a localized region with small [OI]/H-alpha on the excitation diagram. Such LINER spectra can be reproduced by photoionization by very hot stars.

  8. UNCOVERING THE SPECTRAL ENERGY DISTRIBUTION IN ACTIVE GALAXIES USING HIGH-IONIZATION MID-INFRARED EMISSION LINES

    SciTech Connect

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

    2011-09-01

    The shape of the spectral energy distribution (SED) of active galaxies in the extreme-ultraviolet (EUV)-soft X-ray band (13.6 eV-1 keV) is uncertain because obscuration by dust and gas can hamper our view of the continuum. To investigate the shape of the SED 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 active galactic nuclei (AGNs). Our calculations show that a broken power-law continuum model is sufficient to reproduce the [Ne V]{sub 14.32{mu}m}/[Ne III], [Ne V]{sub 24.32{mu}m}/[O IV]{sub 25.89{mu}m}, and [O IV]{sub 25.89{mu}m}/[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 and 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{sup 5.18} K and 10{sup 5.7} K, suggesting that the peak of this component spans a large range of energies extending from {approx}600 A to 1900 A. In this case, the best-fitting peak energy that matches the mid-infrared line ratios of Seyfert 1 galaxies occurs between {approx}700 and 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 Burst Alert Telescope AGNs.

  9. 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}.

  10. 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}

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. AN EXPERIMENTAL AND THEORETICAL STUDY ON THE IONIZATION ENERGIES OF POLYYNES (H-(C{identical_to}C) {sub n} -H; n = 1-9)

    SciTech Connect

    Kaiser, Ralf I.; Sun Bianjian; Lin Hongmao; Chang, Agnes H. H.; Mebel, Alexander M.; Kostko, Oleg; Ahmed, Musahid

    2010-08-20

    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 in protoplanetary nebulae such as 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 protoplanetary 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 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.

  16. Convergent-close-coupling calculations for excitation and ionization processes of electron-hydrogen collisions in Debye plasmas

    SciTech Connect

    Zammit, Mark C.; Fursa, Dmitry V.; Bray, Igor

    2010-11-15

    Electron-hydrogen scattering in weakly coupled hot-dense plasmas has been investigated using the convergent-close-coupling method. The Yukawa-type Debye-Hueckel potential has been used to describe the plasma screening effects. The target structure, excitation dynamics, and ionization process change dramatically as the screening is increased. Excitation cross sections for the 1s{yields}2s,2p,3s,3p,3d and 2s{yields}2p,3s,3p,3d transitions and total and total ionization cross sections for the scattering from the 1s and 2s states are presented. Calculations cover the energy range from thresholds to high energies (250 eV) for various Debye lengths. We find that as the screening increases, the excitation and total cross sections decrease, while the total ionization cross sections increase.

  17. Transition energy and potential energy curves for ionized inner-shell states of CO, O2 and N 2 calculated by several inner-shell multiconfigurational approaches.

    PubMed

    Moura, Carlos E V de; Oliveira, Ricardo R; Rocha, Alexandre B

    2013-05-01

    Potential energy curves and inner-shell ionization energies of carbon monoxide, oxygen and nitrogen molecules were calculated using several forms of the inner-shell multiconfigurational self-consistent field (IS-MCSCF) method-a recently proposed protocol to obtain specifically converged inner-shell states at this level. The particular forms of the IS-MCSCF method designated IS-GVB-PP, IS-FVBL and IS-CASSCF stand for perfect pairing generalized valence bond, full valence bond-like MCSCF and complete active space self consistent field, respectively. A comparison of these different versions of the IS-MCSCF method was carried out for the first time. The results indicate that inner-shell states are described accurately even for the simplest version of the method (IS-GVB-PP). Dynamic correlation was recovered by multireference configuration interaction or multireference perturbation theory. For molecules not having equivalent atoms, all methods led to comparable and accurate transition energies. For molecules with equivalent atoms, the most accurate results were obtained by multireference perturbation theory. Scalar relativistic effects were accounted for using the Douglas-Kroll-Hess Hamiltonian. PMID:23070335

  18. Energy and charge state dependences of transfer ionization to single capture ratio for fast multiply charged ions on helium

    NASA Astrophysics Data System (ADS)

    Unal, Ridvan

    The charge state and energy dependences of Transfer Ionization (TI) and Single Capture (SC) processes in collisions of multiply charged ions with He from intermediate to high velocities are investigated using coincident recoil ion momentum spectroscopy. The collision chamber is commissioned on the 15-degree port of a switching magnet, which allows the delivery of a beam with very little impurity. The target was provided from a supersonic He jet with a two-stage collimation. The two-stage, geometrically cooled, supersonic He jet has significantly reduced background contribution to the spectrum compared to a single stage He jet. In the case of a differentially pumped gas cell complex calculations based on assumptions for the correction due to the collisions with the contaminant beam led to corrections, which were up to 50%. The new setup allows one to make a direct separation of contaminant processes in the experimental data using the longitudinal momentum spectra. Furthermore, this correction is much smaller (about 8.8%) yielding better overall precision. The collision systems reported here are 1 MeV/u O(4--8)+ , 0.5--2.5 MeV/u F(4--9)+, 2.0 MeV/u Ti 15,17,18+, 1.6--1.75 MeV/u Cu18,20+ and 0.25--0.5 MeV/u I(15--25)+ ions interacting with helium. We have determined the sTIsSC ratio for high velocity highly charged ions on He at velocities in the range of 6 to 10 au and observed that the ratio is monotonically decreasing with velocity. Furthermore, we see a ratio that follows a q2 dependence up to approximately q = 9. Above q = 9 the experimental values exceed the q2 dependence prediction due to antiscreening. C. D. Lin and H. C. Tseng have performed coupled channel calculations for the energy dependence of TI and SC for F9+ + He and find values slightly higher than our measured values, but with approximately the same energy dependence. The new data, Si, Ti and Cu, go up only to q = 20 and show a smooth monotonically increasing TI/SC ratio. The TI/SC ratio for I (15

  19. Nonsequential double ionization of molecules

    SciTech Connect

    Prauzner-Bechcicki, Jakub S.; Sacha, Krzysztof; Zakrzewski, Jakub; Eckhardt, Bruno

    2005-03-01

    Double ionization of diatomic molecules by short linearly polarized laser pulses is analyzed. We consider the final stage of the ionization process, that is the decay of a highly excited two electron molecule, which is formed after rescattering. The saddles of the effective adiabatic potential energy close to which simultaneous escape of electrons takes place are identified. Numerical simulations of the ionization of molecules show that the process can be dominated by either sequential or nonsequential events. In order to increase the ratio of nonsequential to sequential ionizations very short laser pulses should be applied.

  20. Amorphous silicon ionizing particle detectors

    DOEpatents

    Street, R.A.; Mendez, V.P.; Kaplan, S.N.

    1988-11-15

    Amorphous silicon ionizing particle detectors having a hydrogenated amorphous silicon (a--Si:H) thin film deposited via plasma assisted chemical vapor deposition techniques are utilized to detect the presence, position and counting of high energy ionizing particles, such as electrons, x-rays, alpha particles, beta particles and gamma radiation. 15 figs.

  1. Amorphous silicon ionizing particle detectors

    DOEpatents

    Street, Robert A.; Mendez, Victor P.; Kaplan, Selig N.

    1988-01-01

    Amorphous silicon ionizing particle detectors having a hydrogenated amorphous silicon (a--Si:H) thin film deposited via plasma assisted chemical vapor deposition techniques are utilized to detect the presence, position and counting of high energy ionizing particles, such as electrons, x-rays, alpha particles, beta particles and gamma radiation.

  2. 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.

  3. 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

    NASA Astrophysics Data System (ADS)

    Bote, David; Salvat, Francesc; Jablonski, Aleksander; Powell, Cedric J.

    2009-11-01

    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.

  4. 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.

  5. Plasma Production via Field Ionization

    SciTech Connect

    O'Connell, C.L.; Barnes, C.D.; Decker, F.; Hogan, M.J.; Iverson, R.; Krejcik, P.; Siemann, R.; Walz, D.R.; Clayton, C.E.; Huang, C.; Johnson, D.K.; Joshi, C.; Lu, W.; Marsh, K.A.; Mori, W.; Zhou, M.; Deng, S.; Katsouleas, T.; Muggli, P.; Oz, E.; /Southern California U.

    2007-01-02

    Plasma production via field ionization occurs when an incoming particle beam is sufficiently dense that the electric field associated with the beam ionizes a neutral vapor or gas. Experiments conducted at the Stanford Linear Accelerator Center explore the threshold conditions necessary to induce field ionization by an electron beam in a neutral lithium vapor. By independently varying the transverse beam size, number of electrons per bunch or bunch length, the radial component of the electric field is controlled to be above or below the threshold for field ionization. Additional experiments ionized neutral xenon and neutral nitric oxide by varying the incoming beam's bunch length. A self-ionized plasma is an essential step for the viability of plasma-based accelerators for future high-energy experiments.

  6. 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.

  7. Ionization chamber

    DOEpatents

    Walenta, A.H.

    An ionization chamber is described which 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 ionizes the gas.

  8. O1s photoionization dynamics in oriented NO2

    NASA Astrophysics Data System (ADS)

    Stener, Mauro; Decleva, Piero; Yamazaki, Masakazu; Adachi, Jun-ichi; Yagishita, Akira

    2011-05-01

    We have performed extensive density functional theory (DFT) calculations, partial cross sections, dipole prepared continuum orbitals, dipole amplitudes and phase shifts, asymmetry parameters β, and molecular frame photoelectron angular distributions, to elucidate the O1s photoionization dynamics of NO2 molecule with emphasis on the shape resonances in the O1s ionization continuum. In the shape resonance region, the β parameters and photoelectron angular distributions have been compared with our experimental results. Fairly good agreement between the theory and experiment has confirmed that the DFT level calculations can well describe the photoionization dynamics of the simple molecule such as NO2. Interference due to equivalent atom photoionization is theoretically considered, and the possibility of detection of the effect in the two degenerate channels with different combinations of light polarization and photoemission direction is discussed.

  9. Capture, ionization, and pair-production processes in relativistic heavy-ion collisions in the 1-GeV/nucleon energy range

    NASA Astrophysics Data System (ADS)

    Belkacem, A.; Gould, Harvey; Feinberg, B.; Bossingham, R.; Meyerhof, W. E.

    1997-10-01

    The cross sections for capture, ionization, capture from pair production, and free pair production were measured for 0.96-GeV/nucleon U92+ and 0.405-, 0.96-, and 1.3-GeV/nucleon La57+ ions incident on Au, Ag, and Cu targets. The cross sections for capture from pair production, free pair production, ionization, and total capture (the sum of capture from pair production, radiative electron capture, and nonradiative capture) are analyzed as a function of collision energy, projectile, and target atomic numbers. We find that, when the collision energy is increased from 0.405 GeV/nucleon to 1.3 GeV/nucleon, the capture from pair production and the free pair production cross sections increase by almost a factor of 6, while the capture cross section decreases by two orders of magnitude. The ionization cross section is found to vary very weakly with the collision energy in the 1-GeV/nucleon energy range. We found a dependence of free pair production cross sections on the target and projectile atomic number to be close to Z2, characteristic of an ionizationlike process. We also found a dependence of the capture from pair production cross sections on the target atomic number to be usually steeper than Z2t, and on the projectile atomic number, somewhat steeper than the Z5p, characteristic of a capturelike process. Theory and experiment are in some disagreement for capture from pair production, and free pair production, cross sections, but are in general agreement for the other capture processes and for ionization.

  10. A Study of H2O2 with Threshold Photoelectron Spectroscopy (TPES) and Electronic Structure Calculations: Redetermination of the First Adiabatic Ionization Energy (AIE).

    PubMed

    Schio, Luca; Alagia, Michele; Dias, Antonio A; Falcinelli, Stefano; Zhaunerchyk, Vitali; Lee, Edmond P F; Mok, Daniel K W; Dyke, John M; Stranges, Stefano

    2016-07-14

    In this work, hydrogen peroxide has been studied with threshold photoelectron (TPE) spectroscopy and photoelectron (PE) spectroscopy. The TPE spectrum has been recorded in the 10.0-21.0 eV ionization energy region, and the PE spectrum has been recorded at 21.22 eV photon energy. Five bands have been observed which have been assigned on the basis of UCCSD(T)-F12/VQZ-F12 and IP-EOM CCSD calculations. Vibrational structure has only been resolved in the TPE spectrum of the first band, associated with the X̃(2)Bg H2O2(+) ← X̃(1)A H2O2 ionization, on its low energy side. This structure is assigned with the help of harmonic Franck-Condon factor calculations that use the UCCSD(T)-F12a/VQZ-F12 computed adiabatic ionization energy (AIE), and UCCSD(T)-F12a/VQZ-F12 computed equilibrium geometric parameters and harmonic vibrational frequencies for the H2O2 X̃(1)A state and the H2O2(+) X̃(2)Bg state. These calculations show that the main vibrational structure on the leading edge of the first TPE band is in the O-O stretching mode (ω3) and the HOOH deformation mode (ω4), and comparison of the simulated spectrum to the experimental spectrum gives the first AIE of H2O2 as (10.685 ± 0.005) eV and ω4 = (850 ± 30) and ω3 = (1340 ± 30) cm(-1) in the X̃(2)Bg state of H2O2(+). Contributions from ionization of vibrationally excited levels in the torsion mode have been identified in the TPE spectrum of the first band and the need for a vibrationally resolved TPE spectrum from vibrationally cooled molecules, as well as higher level Franck-Condon factors than performed in this work, is emphasized. PMID:27045948

  11. 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.

  12. Dissociative ionization of sodium molecules via repulsive Rydberg states

    NASA Astrophysics Data System (ADS)

    Chen, Hong

    In this thesis, an investigation of two color resonance multiphoton ionization (REMPI) and fragmentation processes in Na2 has been performed in combination with Linear Time-of-Flight Mass Spectrometry technique. The ionization and dissociative ionizations channels in the energy range up to 2500cm -1 above the dissociative ionization threshold into Na(3s)+Na ++e have been studied. After a mild supersonic expansion from the beam source, neutral sodium dimers in the ground state have been produced. Two tunable, pulsed lasers excite Na2 molecules via the intermediate A1S+u state to a single ro-vibrational level of the second intermediate 21pig state. Following absorption of a third photon, the total energy is above the dissociation limit into Na(3s) + Na+ + e. Typically, a small portion of atomic ions is produced under our experimental conditions. By varying the total available energy below and through the doubly excited states correlating with the Na(3p)+Na(4s) atom pair, there is no evidence that the doubly excited states positioned in the ionic continuum get involved. By calculation of the expected transition probabilities for all possible channels which can decay directly and indirectly into atomic ions, I find that direct dissociative ionization via 12S+u is impossible. The transition probabilities for dissociative ionization via the repulsive Rydberg states with principal quantum numbers n from 5˜12 converging toward the 12S+u state are three to four orders of magnitude larger than those for direct ionization into the continuum of the X2S+g ground state. These repulsive Rydberg states are much more likely to play a role in the photo-ionization through the intermediate 21Pg state. A semi-classical model which was originally developed for negative ion dissociative attachment (O'MAL'67) describes how dissociative ionization occurs along the repulsive Rydberg states. Its prediction concerning the ratio of atomic to molecular ion production as a function of initial

  13. Experimental analysis of general ion recombination in a liquid-filled ionization chamber in high-energy photon beams

    SciTech Connect

    Chung, Eunah; Seuntjens, Jan; Davis, Stephen

    2013-06-15

    Purpose: To study experimentally the general ion recombination effect in a liquid-filled ionization chamber (LIC) in high-energy photon beams. Methods: The general ion recombination effect on the response of a micro liquid ion chamber (microLion) was investigated with a 6 MV photon beam in normal and SRS modes produced from a Varian{sup Registered-Sign} Novalis Tx{sup TM} linear accelerator. Dose rates of the linear accelerator were set to 100, 400, and 1000 MU/min, which correspond to pulse repetition frequencies of 60, 240, and 600 Hz, respectively. Polarization voltages applied to the microLion were +800 and +400 V. The relative collection efficiency of the microLion response as a function of dose per pulse was experimentally measured with changing polarization voltage and pulse repetition frequencies and was compared with the theoretically calculated value. Results: For the 60 Hz pulse repetition frequency, the experimental relative collection efficiency was not different from the theoretical one for a pulsed beam more than 0.3% for both polarization voltages. For a pulsed radiation beam with a higher pulse repetition frequency, the experimental relative collection efficiency converged to the theoretically calculated efficiency for continuous beams. This result indicates that the response of the microLion tends toward the response to a continuous beam with increasing pulse repetition frequency of a pulsed beam because of low ion mobility in the liquid. Conclusions: This work suggests an empirical method to correct for differences in general ion recombination of a LIC between different radiation fields. More work is needed to quantitatively explain the LIC general ion recombination behavior in pulsed beams generated from linear accelerators.

  14. Improved cosmic ray ionization model for the system lower ionosphere-middle atmosphere. Determination of approximation energy interval characteristics for the particle penetration

    NASA Astrophysics Data System (ADS)

    Velinov, Peter; Mateev, Lachezar

    The effects of galactic and solar cosmic rays (CRs) in the middle atmosphere are considered in this work. We take into account the CR modulation by solar wind and the anomalous CR component also. In fact, CRs determine the electric conductivity in the middle atmosphere and influence the electric processes in it in this way. CRs introduce solar variability in the terrestrial atmosphere and ozonosphere -because they are modulated by solar wind. A new analytical approach for CR ionization by protons and nuclei with charge Z in the lower ionosphere and the middle atmosphere is developed in this paper. For this purpose, the ionization losses (dE/dh) for the energetic charged particles according to the Bohr-Bethe-Bloch formula are approximated in three different energy intervals. More accurate expressions for CR energy decrease E(h) and electron production rate profiles q(h) are derived. The obtained formulas allow comparatively easy computer programming. q(h) is determined by the solution of a 3D integral with account of geomagnetic cut-off rigidity. The integrand in q(h) gives the possibility for application of adequate numerical methods -in this case Gauss quadrature and Romberg extrapolation, for the solution of the mathematical problem. Computations for CR ionization in the middle atmosphere are made. The contributions of the different approximation energy intervals are presented. In this way the process of interaction of CR particles with the upper and middle atmosphere are described much more realistically. The full CR composition is taken into account: protons, helium (alpha-particles), light L, medium M, heavy H and very heavy VH group of nuclei. The computations are made for different geomagnetic cut-off rigidities R in the altitude interval 35-120 km. The COSPAR International Reference Atmosphere CIRA'86 is applied in the computer program for the neutral density and scale height values. The proposed improved CR ionization model will contribute to the

  15. Kinematically complete study of low-energy electron-impact ionization of argon: Internormalized cross sections in three-dimensional kinematics

    NASA Astrophysics Data System (ADS)

    Ren, Xueguang; Amami, Sadek; Zatsarinny, Oleg; Pflüger, Thomas; Weyland, Marvin; Dorn, Alexander; Madison, Don; Bartschat, Klaus

    2016-06-01

    As a further test of advanced theoretical methods to describe electron-impact single-ionization processes in complex atomic targets, we extended our recent work on Ne (2 p ) ionization [X. Ren, S. Amami, O. Zatsarinny, T. Pflüger, M. Weyland, W. Y. Baek, H. Rabus, K. Bartschat, D. Madison, and A. Dorn, Phys. Rev. A 91, 032707 (2015), 10.1103/PhysRevA.91.032707] to Ar (3 p ) ionization at the relatively low incident energy of E0=66 eV. The experimental data were obtained with a reaction microscope, which can cover nearly the entire 4 π solid angle for the secondary electron emission. We present experimental data for detection angles of 10, 15, and 20∘ for the faster of the two outgoing electrons as a function of the detection angle of the secondary electron with energies of 3, 5, and 10 eV, respectively. Comparison with theoretical predictions from a B -spline R -matrix (BSR) with pseudostates approach and a three-body distorted-wave (3DW) approach, for detection of the secondary electron in three orthogonal planes as well as the entire solid angle, shows overall satisfactory agreement between experiment and the BSR results, whereas the 3DW approach faces difficulties in predicting some of the details of the angular distributions. These findings are different from our earlier work on Ne (2 p ), where both the BSR and 3DW approaches yielded comparable levels of agreement with the experimental data.

  16. Numerical calculation of cosmic ray ionization rate profiles in the middle atmosphere and lower ionosphere with relation to characteristic energy intervals

    NASA Astrophysics Data System (ADS)

    Velinov, Peter; Asenovski, Simeon; Mateev, Lachezar

    2013-04-01

    Numerical calculations of galactic cosmic ray (GCR) ionization rate profiles are presented for the middle atmosphere and lower ionosphere altitudes (35-90 km) for the full GCR composition (protons, alpha particles, and groups of heavier nuclei: light L, medium M, heavy H, very heavy VH). This investigation is based on a model developed by Velinov et al. (1974) and Velinov and Mateev (2008), which is further improved in the present paper. Analytical expressions for energy interval contributions are provided. An approximation of the ionization function on three energy intervals is used and for the first time the charge decrease interval for electron capturing (Dorman 2004) is investigated quantitatively. Development in this field of research is important for better understanding the impact of space weather on the atmosphere. GCRs influence the ionization and electric parameters in the atmosphere and also the chemical processes (ozone creation and depletion in the stratosphere) in it. The model results show good agreement with experimental data (Brasseur and Solomon 1986, Rosenberg and Lanzerotti 1979, Van Allen 1952).

  17. Determination of ionization fraction and plasma potential in a dc magnetron sputtering system using a quartz crystal microbalance and a gridded energy analyzer

    SciTech Connect

    Green, K.M.

    1997-01-01

    A diagnostic which combines a quartz crystal microbalance and a gridded energy analyzer has been developed to measure the ion-to- neutral ratio and the plasma potential in a commercial dc magnetron sputtering device. Additional features of this sensor include an externally controlled shutter which protects the diagnostic when it is in the chamber, but it is not in use. The diagnostic is mounted on a linear motion feedthrough and embedded in a slot in the wafer chuck to allow for measuring uniformity in deposition and ionization throughout the plane of the wafer. RF power is introduced to ionize the Al particles. Using the quartz crystal microbalance and the gridded energy analyzer, the ion-to-neutral ratio and other parameters are determined. Comparing the total deposition rate with and without a bias that screens out the ions, but leaves the plasma undisturbed, allows for the determination of the ion-to-neutral ratio. By varying the voltage applied to the grids, the plasma potential is measured. For example, a magnetron configuration having a pressure of 35 mtorr, a dc power of 2 kW, and a net rf power of 310{+-}5 W yielded 78{+-}5% ionization and a plasma potential of 35{+-}1 V.

  18. Photoionization of HOCO revisited : a new upper limit to the adiabatic ionization energy and lower limit to the enthalpy of formation.

    SciTech Connect

    Ruscic, B.; Litorja, M.; Chemistry

    2000-01-07

    A new upper limit to the adiabatic ionization energy of trans-hydroxyoxomethyl, EI(t-HOCO){<=}8.195{+-}0.022 eV, is provided, producing a lower limit to the enthalpy of formation, {Delta}H{sub f 0}{sup o}(t-HOCO){>=}-45.8{+-}0.7 kcal/mol ({>=}-46.5{+-}0.7 kcal/mol at 298 K). The spectrum shows progressions in C{double_bond}O and C-O stretches of HOCO{sup +} and provides evidence for the excitation of OCO bend. In addition, the data tentatively suggest an ionization onset as low as 8.06{+-}0.03 eV. While it is not clear whether the latter corresponds to cis or trans isomer, it may indicate that {Delta}H{sub f 0}{sup o}(HOCO) is even higher.

  19. 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.

  20. 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. PMID:27004874

  1. 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.

  2. Resonant Raman scattering contribution to attenuation of x rays at energies in lower vicinity of the K-shell ionization threshold of some elements

    SciTech Connect

    Kumar, Sanjeev; Sharma, Veena; Kumar, Sunil; Alrakabi, Muhanad; Mehta, D.; Singh, Nirmal

    2009-05-15

    Attenuation of the x rays and gamma rays in the {sub 22}Ti, {sub 41}Nb, {sub 69}Tm, {sub 70}Yb, and {sub 71}Lu elements have been measured with special emphasis for the x ray energies (E{sub in}) in lower vicinity of the K shell ionization threshold (B{sub K}) of the element. The incident photon beam is obtained from decay of the {sup 55}Fe, {sup 241}Am, and {sup 57}Co radioisotopes, and fluorescence of the {sub 23}V, {sub 70}Yb, {sub 71}Lu, {sub 74}W, {sub 76}Os, and {sub 90}Th targets excited by the x rays and gamma rays from the radioisotopes. The measurements were performed using energy dispersive setups involving Ge detectors. The measured attenuation coefficients agree with the available theoretical values except at the photon energies with (B{sub K}-E{sub in}) less than or nearly equal to the K-shell width (GAMMA{sub K}), where significant positive deviations as large as factor of 2 have been observed. In view of reliability of the available theoretical cross sections for the photoionization and the photon scattering processes, the magnitude of positive alteration at the photon energy in lower vicinity of the ionization threshold is attributed to the K shell resonant Raman scattering (RRS) process and the corresponding cross sections have been deduced. Possible matrix effects in the energy dispersive x ray spectrometry due to RRS are also discussed.

  3. 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.

  4. 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.

  5. Kinetic-energy release in the dissociative capture-ionization of CO molecules by 97-MeV Ar14+ ions

    NASA Astrophysics Data System (ADS)

    Watson, R. L.; Sampoll, G.; Horvat, V.; Heber, O.

    1996-02-01

    The dissociation of COQ+ molecular ions (Q=4 to 9) produced in multiply ionizing collisions accompanied by the transfer of an electron to the projectile has been studied using time-of-flight techniques. Analysis of the coincident-ion-pair flight-time-difference distributions yielded average values of the kinetic-energy releases for the various dissociation reactions. These values were found to be as much as a factor of 2 greater than the kinetic-energy releases expected for dissociation along Coulombic potential curves. The average kinetic-energy release observed for a given ion pair with charges q1 and q2 are nearly equal to the point-charge Coulomb potential energies for an ion pair with charges q1+1 and q2+1, suggesting that the parent molecular ion is formed with two electrons, on average, in highly excited states that do not contribute to the screening of the nuclei.

  6. Kinematically complete study of low-energy electron-impact ionization of neon: Internormalized cross sections in three-dimensional kinematics

    NASA Astrophysics Data System (ADS)

    Ren, Xueguang; Amami, Sadek; Zatsarinny, Oleg; Pflüger, Thomas; Weyland, Marvin; Baek, Woon Yong; Rabus, Hans; Bartschat, Klaus; Madison, Don; Dorn, Alexander

    2015-03-01

    Low-energy (E0=65 eV ) electron-impact single ionization of Ne (2 p ) has been investigated to thoroughly test state-of-the-art theoretical approaches. The experimental data were measured using a reaction microscope, which can cover nearly the entire 4 π solid angle for the secondary electron emission energies ranging from 2 to 8 eV, and projectile scattering angles ranging from 8 .5∘ to 20 .0∘ . The experimental triple-differential cross sections are internormalized across all measured scattering angles and ejected energies. The experimental data are compared to predictions from a hybrid second-order distorted-wave Born plus R -matrix approach, the distorted-wave Born approximation with the inclusion of postcollision interaction (PCI), a three-body distorted-wave approach (3DW), and a B -spline R -matrix (BSR) with pseudostates approach. Excellent agreement is found between the experiment and predictions from the 3DW and BSR models, for both the angular dependence and the relative magnitude of the cross sections in the full three-dimensional parameter space. The importance of PCI effects is clearly visible in this low-energy electron-impact ionization process.

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

    SciTech Connect

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

    2014-10-28

    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 S{sub 1}-S{sub 1} annihilation might be a key process in the generation of primary ions. This study investigates S{sub 1}-S{sub 1} annihilation by examining the time-resolved fluorescence spectra of 12 matrices. No S{sub 1}-S{sub 1} 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 (S{sub 1}) 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 S{sub 1}-S{sub 1} annihilation was a possible reaction. Among these five matrices, no S{sub 1}-S{sub 1} 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 S{sub 1}-S{sub 1} annihilation. The results indicate that the proposal of S{sub 1}-S{sub 1} annihilation is unnecessary in MALDI and energy pooling model for MALDI ionization mechanism has to be modified.

  8. 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.

  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. State interactions and illumination of hidden states through perturbations and observations of new states: High energy resonance enhanced multiphoton ionization of HI

    NASA Astrophysics Data System (ADS)

    Hróçmarsson, Helgi Rafn; Wang, Huasheng; Kvaran, Ágúst

    2015-06-01

    Hydrogen iodide, a Hund's case (c) molecule, serves as a benchmark compound for studying rich molecular state interactions between Rydberg and valence states as well as between Rydberg states at high energies (72 300-74 600 cm-1) by mass resolved resonance enhanced multiphoton ionization (REMPI). Perturbations in the spectra appearing as deformations in line-positions, line-intensities, and linewidths are found to be either due to near-degenerate or non-degenerate interactions, both homogeneous and heterogeneous in nature. Perturbation analyses allow indirect observation as well as characterization of "hidden states" to some extent. Furthermore, new observable spectral features are assigned and characterized.

  11. State interactions and illumination of hidden states through perturbations and observations of new states: High energy resonance enhanced multiphoton ionization of HI.

    PubMed

    Hróðmarsson, Helgi Rafn; Wang, Huasheng; Kvaran, Ágúst

    2015-06-28

    Hydrogen iodide, a Hund's case (c) molecule, serves as a benchmark compound for studying rich molecular state interactions between Rydberg and valence states as well as between Rydberg states at high energies (72,300-74,600 cm(-1)) by mass resolved resonance enhanced multiphoton ionization (REMPI). Perturbations in the spectra appearing as deformations in line-positions, line-intensities, and linewidths are found to be either due to near-degenerate or non-degenerate interactions, both homogeneous and heterogeneous in nature. Perturbation analyses allow indirect observation as well as characterization of "hidden states" to some extent. Furthermore, new observable spectral features are assigned and characterized. PMID:26133433

  12. Excitational energy transfer enhancing ionization and spatial-temporal evolution of air breakdown with UV laser radiation

    NASA Astrophysics Data System (ADS)

    Hummelt, Jason S.; Scharer, John E.

    2010-11-01

    This paper examines the role multiphoton excitation of oxygen has on the ionization of nitrogen in laser air breakdown. Plasma is created by focusing a 193 nm ArF excimer laser using an 18 cm focal length lens, producing a cylindrical 540 μm wide spot of intensity 6.5 GW/cm2, well below the classical limit for collisional cascade (CC) breakdown. By spectroscopically monitoring the B Σ2u+ to X Σ2g+ transition at 391.4 nm of N2+ in N2 and O2 mixes, collisions between N2 and metastable O2 states that have undergone 1+1 absorption processes are shown to lower the degree of nonlinearity (i.e., the number of photons involved in the rate limiting multiphoton absorption process) in the ionization of N2. This process is also found to dominate the 2+1 resonant enhanced multiphoton ionization of N2 in air and be the primary source for ionization of N2 to the B Σ2u+ state. Plasma formation and evolution is also examined using a 1.3 cm focal length objective lens creating a 40 μm wide spot of intensity 1.25 TW/cm2, above the classical limit for breakdown. This plasma is imaged with a fast (1.2 ns) gating intensified charge coupled device camera. Early plasma formation is seen to be inhomogeneous in nature, and significant ion density is found to exist up to 20 μs after the laser pulse.

  13. 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.

  14. 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.

  15. 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.

  16. 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.; Bryngemark, L.; Buanes, T.; Buat, Q.; Buchholz, P.; Buckley, A. G.; Budagov, I. A.; Buehrer, F.; Bugge, M. K.; Bulekov, O.; Bullock, D.; Burckhart, H.; Burdin, S.; Burgard, C. D.; Burghgrave, B.; Burka, K.; Burke, S.; Burmeister, I.; Busato, E.; Büscher, D.; Büscher, V.; Bussey, P.; Butler, J. M.; Buttar, C. M.; Butterworth, J. M.; Butti, P.; Buttinger, W.; Buzatu, A.; Buzykaev, A. R.; Cabrera Urbán, S.; Caforio, D.; Cairo, V. M.; Cakir, O.; Calace, N.; Calafiura, P.; Calandri, A.; Calderini, G.; Calfayan, P.; Caloba, L. P.; Calvet, D.; Calvet, S.; Calvet, T. P.; Camacho Toro, R.; Camarda, S.; Camarri, P.; Cameron, D.; Caminal Armadans, R.; Camincher, C.; Campana, S.; Campanelli, M.; Camplani, A.; Campoverde, A.; Canale, V.; Canepa, A.; Cano Bret, M.; Cantero, J.; Cantrill, R.; Cao, T.; Capeans Garrido, M. D. M.; Caprini, I.; Caprini, M.; Capua, M.; Caputo, R.; Carbone, R. M.; Cardarelli, R.; Cardillo, F.; Carli, I.; Carli, T.; Carlino, G.; Carminati, L.; Caron, S.; Carquin, E.; Carrillo-Montoya, G. D.; Carter, J. R.; Carvalho, J.; Casadei, D.; Casado, M. P.; Casolino, M.; Casper, D. W.; Castaneda-Miranda, E.; Castelijn, R.; Castelli, A.; Castillo Gimenez, V.; Castro, N. F.; Catinaccio, A.; Catmore, J. R.; Cattai, A.; Caudron, J.; Cavaliere, V.; Cavallaro, E.; Cavalli, D.; Cavalli-Sforza, M.; Cavasinni, V.; Ceradini, F.; Cerda Alberich, L.; Cerio, B. C.; Cerqueira, A. S.; Cerri, A.; Cerrito, L.; Cerutti, F.; Cerv, M.; Cervelli, A.; Cetin, S. A.; Chafaq, A.; Chakraborty, D.; Chan, S. K.; Chan, Y. L.; Chang, P.; Chapman, J. D.; Charlton, D. G.; Chatterjee, A.; Chau, C. C.; Chavez Barajas, C. A.; Che, S.; Cheatham, S.; Chegwidden, A.; Chekanov, S.; Chekulaev, S. V.; Chelkov, G. A.; Chelstowska, M. A.; Chen, C.; Chen, H.; Chen, K.; Chen, S.; Chen, S.; Chen, X.; Chen, Y.; Cheng, H. C.; Cheng, H. J.; Cheng, Y.; Cheplakov, A.; Cheremushkina, E.; Cherkaoui El Moursli, R.; Chernyatin, V.; Cheu, E.; Chevalier, L.; Chiarella, V.; Chiarelli, G.; Chiodini, G.; Chisholm, A. S.; Chitan, A.; Chizhov, M. V.; Choi, K.; Chomont, A. R.; Chouridou, S.; Chow, B. K. B.; Christodoulou, V.; Chromek-Burckhart, D.; Chudoba, J.; Chuinard, A. J.; Chwastowski, J. J.; Chytka, L.; Ciapetti, G.; Ciftci, A. K.; Cinca, D.; Cindro, V.; Cioara, I. A.; Ciocio, A.; Cirotto, F.; Citron, Z. H.; Citterio, M.; Ciubancan, M.; Clark, A.; Clark, B. L.; Clark, M. R.; Clark, P. J.; Clarke, R. N.; Clement, C.; Coadou, Y.; Cobal, M.; Coccaro, A.; Cochran, J.; Coffey, L.; Colasurdo, L.; Cole, B.; Colijn, A. P.; Collot, J.; Colombo, T.; Compostella, G.; Conde Muiño, P.; Coniavitis, E.; Connell, S. H.; Connelly, I. A.; Consorti, V.; Constantinescu, S.; Conti, G.; Conventi, F.; Cooke, M.; Cooper, B. D.; Cooper-Sarkar, A. M.; Cormier, K. J. R.; Cornelissen, T.; Corradi, M.; Corriveau, F.; Corso-Radu, A.; Cortes-Gonzalez, A.; Cortiana, G.; Costa, G.; Costa, M. J.; Costanzo, D.; Cottin, G.; Cowan, G.; Cox, B. E.; Cranmer, K.; Crawley, S. J.; Cree, G.; Crépé-Renaudin, S.; Crescioli, F.; Cribbs, W. A.; Crispin Ortuzar, M.; Cristinziani, M.; Croft, V.; Crosetti, G.; Cuhadar Donszelmann, T.; Cummings, J.; Curatolo, M.; Cúth, J.; Cuthbert, C.; Czirr, H.; Czodrowski, P.; D'Amen, G.; D'Auria, S.; D'Onofrio, M.; da Cunha Sargedas de Sousa, M. J.; da Via, C.; Dabrowski, W.; Dado, T.; Dai, T.; Dale, O.; Dallaire, F.; Dallapiccola, C.; Dam, M.; Dandoy, J. R.; Dang, N. P.; Daniells, A. C.; Dann, N. S.; Danninger, M.; Dano Hoffmann, M.; Dao, V.; Darbo, G.; Darmora, S.; Dassoulas, J.; Dattagupta, A.; Davey, W.; David, C.; Davidek, T.; Davies, M.; Davison, P.; Dawe, E.; Dawson, I.; Daya-Ishmukhametova, R. K.; de, K.; de Asmundis, R.; de Benedetti, A.; de Castro, S.; de Cecco, S.; de Groot, N.; de Jong, P.; de la Torre, H.; de Lorenzi, F.; de Maria, A.; de Pedis, D.; de Salvo, A.; de Sanctis, U.; de Santo, A.; de Vivie de Regie, J. B.; Dearnaley, W. J.; Debbe, R.; Debenedetti, C.; Dedovich, D. V.; Dehghanian, N.; Deigaard, I.; Del Gaudio, M.; Del Peso, J.; Del Prete, T.; Delgove, D.; Deliot, F.; Delitzsch, C. M.; Deliyergiyev, M.; Dell'Acqua, A.; Dell'Asta, L.; Dell'Orso, M.; Della Pietra, M.; Della Volpe, D.; Delmastro, M.; Delsart, P. A.; Deluca, C.; Demarco, D. A.; Demers, S.; Demichev, M.; Demilly, A.; Denisov, S. P.; Denysiuk, D.; Derendarz, D.; Derkaoui, J. E.; Derue, F.; Dervan, P.; Desch, K.; Deterre, C.; Dette, K.; Deviveiros, P. O.; Dewhurst, A.; Dhaliwal, S.; di Ciaccio, A.; di Ciaccio, L.; di Clemente, W. K.; di Donato, C.; di Girolamo, A.; di Girolamo, B.; di Micco, B.; di Nardo, R.; di Simone, A.; di Sipio, R.; di Valentino, D.; Diaconu, C.; Diamond, M.; Dias, F. A.; Diaz, M. A.; Diehl, E. B.; Dietrich, J.; Diglio, S.; Dimitrievska, A.; Dingfelder, J.; Dita, P.; Dita, S.; Dittus, F.; Djama, F.; Djobava, T.; Djuvsland, J. I.; Do Vale, M. A. B.; Dobos, D.; Dobre, M.; Doglioni, C.; Dohmae, T.; Dolejsi, J.; Dolezal, Z.; Dolgoshein, B. A.; Donadelli, M.; Donati, S.; Dondero, P.; Donini, J.; Dopke, J.; Doria, A.; Dova, M. T.; Doyle, A. T.; Drechsler, E.; Dris, M.; Du, Y.; Duarte-Campderros, J.; Duchovni, E.; Duckeck, G.; Ducu, O. A.; Duda, D.; Dudarev, A.; Duffield, E. M.; Duflot, L.; Duguid, L.; Dührssen, M.; Dumancic, M.; Dunford, M.; Duran Yildiz, H.; Düren, M.; Durglishvili, A.; Duschinger, D.; Dutta, B.; Dyndal, M.; Eckardt, C.; Ecker, K. M.; Edgar, R. C.; Edwards, N. C.; Eifert, T.; Eigen, G.; Einsweiler, K.; Ekelof, T.; El Kacimi, M.; Ellajosyula, V.; Ellert, M.; Elles, S.; Ellinghaus, F.; Elliot, A. A.; Ellis, N.; Elmsheuser, J.; Elsing, M.; Emeliyanov, D.; Enari, Y.; Endner, O. C.; Endo, M.; Ennis, J. S.; Erdmann, J.; Ereditato, A.; Ernis, G.; Ernst, J.; Ernst, M.; Errede, S.; Ertel, E.; Escalier, M.; Esch, H.; Escobar, C.; Esposito, B.; Etienvre, A. I.; Etzion, E.; Evans, H.; Ezhilov, A.; Fabbri, F.; Fabbri, L.; Facini, G.; Fakhrutdinov, R. M.; Falciano, S.; Falla, R. J.; Faltova, J.; Fang, Y.; Fanti, M.; Farbin, A.; Farilla, A.; Farina, C.; Farooque, T.; Farrell, S.; Farrington, S. M.; Farthouat, P.; Fassi, F.; Fassnacht, P.; Fassouliotis, D.; Faucci Giannelli, M.; Favareto, A.; Fawcett, W. J.; Fayard, L.; Fedin, O. L.; Fedorko, W.; Feigl, S.; Feligioni, L.; Feng, C.; Feng, E. J.; Feng, H.; Fenyuk, A. B.; Feremenga, L.; Fernandez Martinez, P.; Fernandez Perez, S.; Ferrando, J.; Ferrari, A.; Ferrari, P.; Ferrari, R.; Ferreira de Lima, D. E.; Ferrer, A.; Ferrere, D.; Ferretti, C.; Ferretto Parodi, A.; Fiedler, F.; Filipčič, A.; Filipuzzi, M.; Filthaut, F.; Fincke-Keeler, M.; Finelli, K. D.; Fiolhais, M. C. N.; Fiorini, L.; Firan, A.; Fischer, A.; Fischer, C.; Fischer, J.; Fisher, W. C.; Flaschel, N.; Fleck, I.; Fleischmann, P.; Fletcher, G. T.; Fletcher, R. R. M.; Flick, T.; Floderus, A.; Flores Castillo, L. R.; Flowerdew, M. J.; Forcolin, G. T.; Formica, A.; Forti, A.; Foster, A. G.; Fournier, D.; Fox, H.; Fracchia, S.; Francavilla, P.; Franchini, M.; Francis, D.; Franconi, L.; Franklin, M.; Frate, M.; Fraternali, M.; Freeborn, D.; Fressard-Batraneanu, S. M.; Friedrich, F.; Froidevaux, D.; Frost, J. A.; Fukunaga, C.; Fullana Torregrosa, E.; Fusayasu, T.; Fuster, J.; Gabaldon, C.; Gabizon, O.; Gabrielli, A.; Gabrielli, A.; Gach, G. P.; Gadatsch, S.; Gadomski, S.; Gagliardi, G.; Gagnon, L. G.; Gagnon, P.; Galea, C.; Galhardo, B.; Gallas, E. J.; Gallop, B. J.; Gallus, P.; Galster, G.; Gan, K. K.; Gao, J.; Gao, Y.; Gao, Y. S.; Garay Walls, F. M.; García, C.; García Navarro, J. E.; Garcia-Sciveres, M.; Gardner, R. W.; Garelli, N.; Garonne, V.; Gascon Bravo, A.; Gatti, C.; Gaudiello, A.; Gaudio, G.; Gaur, B.; Gauthier, L.; Gavrilenko, I. L.; Gay, C.; Gaycken, G.; Gazis, E. N.; Gecse, Z.; Gee, C. N. P.; Geich-Gimbel, Ch.; Geisen, M.; Geisler, M. P.; Gemme, C.; Genest, M. H.; Geng, C.; Gentile, S.; George, S.; Gerbaudo, D.; Gershon, A.; Ghasemi, S.; Ghazlane, H.; Ghneimat, M.; Giacobbe, B.; Giagu, S.; Giannetti, P.; Gibbard, B.; Gibson, S. M.; Gignac, M.; Gilchriese, M.; Gillam, T. P. S.; Gillberg, D.; Gilles, G.; Gingrich, D. M.; Giokaris, N.; Giordani, M. P.; Giorgi, F. M.; Giorgi, F. M.; Giraud, P. F.; Giromini, P.; Giugni, D.; Giuli, F.; Giuliani, C.; Giulini, M.; Gjelsten, B. K.; Gkaitatzis, S.; Gkialas, I.; Gkougkousis, E. L.; Gladilin, L. K.; Glasman, C.; Glatzer, J.; Glaysher, P. C. F.; Glazov, A.; Goblirsch-Kolb, M.; Godlewski, J.; Goldfarb, S.; Golling, T.; Golubkov, D.; Gomes, A.; Gonçalo, R.; Goncalves Pinto Firmino da Costa, J.; Gonella, G.; Gonella, L.; Gongadze, A.; González de La Hoz, S.; Gonzalez Parra, G.; Gonzalez-Sevilla, S.; Goossens, L.; Gorbounov, P. A.; Gordon, H. A.; Gorelov, I.; Gorini, B.; Gorini, E.; Gorišek, A.; Gornicki, E.; Goshaw, A. T.; Gössling, C.; Gostkin, M. I.; Goudet, C. R.; Goujdami, D.; Goussiou, A. G.; Govender, N.; Gozani, E.; Graber, L.; Grabowska-Bold, I.; Gradin, P. O. J.; Grafström, P.; Gramling, J.; Gramstad, E.; Grancagnolo, S.; Gratchev, V.; Gravila, P. M.; Gray, H. M.; Graziani, E.; Greenwood, Z. D.; Grefe, C.; Gregersen, K.; Gregor, I. M.; Grenier, P.; Grevtsov, K.; Griffiths, J.; Grillo, A. A.; Grimm, K.; Grinstein, S.; Gris, Ph.; Grivaz, J.-F.; Groh, S.; Grohs, J. P.; Gross, E.; Grosse-Knetter, J.; Grossi, G. C.; Grout, Z. J.; Guan, L.; Guan, W.; Guenther, J.; Guescini, F.; Guest, D.; Gueta, O.; Guido, E.; Guillemin, T.; Guindon, S.; Gul, U.; Gumpert, C.; Guo, J.; Guo, Y.; Gupta, S.; Gustavino, G.; Gutierrez, P.; Gutierrez Ortiz, N. G.; Gutschow, C.; Guyot, C.; Gwenlan, C.; Gwilliam, C. B.; Haas, A.; Haber, C.; Hadavand, H. K.; Haddad, N.; Hadef, A.; Haefner, P.; Hageböck, S.; Hajduk, Z.; Hakobyan, H.; Haleem, M.; Haley, J.; Halladjian, G.; Hallewell, G. D.; Hamacher, K.; Hamal, P.; Hamano, K.; Hamilton, A.; Hamity, G. N.; Hamnett, P. G.; Han, L.; Hanagaki, K.; Hanawa, K.; Hance, M.; Haney, B.; Hanke, P.; Hanna, R.; Hansen, J. B.; Hansen, J. D.; Hansen, M. C.; Hansen, P. H.; Hara, K.; Hard, A. S.; Harenberg, T.; Hariri, F.; Harkusha, S.; Harrington, R. D.; Harrison, P. F.; Hartjes, F.; Hartmann, N. M.; Hasegawa, M.; Hasegawa, Y.; Hasib, A.; Hassani, S.; Haug, S.; Hauser, R.; Hauswald, L.; Havranek, M.; Hawkes, C. M.; Hawkings, R. J.; Hayden, D.; Hays, C. P.; Hays, J. M.; Hayward, H. S.; Haywood, S. J.; Head, S. J.; Heck, T.; Hedberg, V.; Heelan, L.; Heim, S.; Heim, T.; Heinemann, B.; Heinrich, J. J.; Heinrich, L.; Heinz, C.; Hejbal, J.; Helary, L.; Hellman, S.; Helsens, C.; Henderson, J.; Henderson, R. C. W.; Heng, Y.; Henkelmann, S.; Henriques Correia, A. M.; Henrot-Versille, S.; Herbert, G. H.; Hernández Jiménez, Y.; Herten, G.; Hertenberger, R.; Hervas, L.; Hesketh, G. G.; Hessey, N. P.; Hetherly, J. W.; Hickling, R.; Higón-Rodriguez, E.; Hill, E.; Hill, J. C.; Hiller, K. H.; Hillier, S. 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N.; Rosten, R.; Rotaru, M.; Roth, I.; Rothberg, J.; Rousseau, D.; Royon, C. R.; Rozanov, A.; Rozen, Y.; Ruan, X.; Rubbo, F.; Rudolph, M. S.; Rühr, F.; Ruiz-Martinez, A.; Rurikova, Z.; Rusakovich, N. A.; Ruschke, A.; Russell, H. L.; Rutherfoord, J. P.; Ruthmann, N.; Ryabov, Y. F.; Rybar, M.; Rybkin, G.; Ryu, S.; Ryzhov, A.; Rzehorz, G. F.; Saavedra, A. F.; Sabato, G.; Sacerdoti, S.; Sadrozinski, H. F.-W.; Sadykov, R.; Safai Tehrani, F.; Saha, P.; Sahinsoy, M.; Saimpert, M.; Saito, T.; Sakamoto, H.; Sakurai, Y.; Salamanna, G.; Salamon, A.; Salazar Loyola, J. E.; Salek, D.; Sales de Bruin, P. H.; Salihagic, D.; Salnikov, A.; Salt, J.; Salvatore, D.; Salvatore, F.; Salvucci, A.; Salzburger, A.; Sammel, D.; Sampsonidis, D.; Sanchez, A.; Sánchez, J.; Sanchez Martinez, V.; Sandaker, H.; Sandbach, R. L.; Sander, H. G.; Sandhoff, M.; Sandoval, C.; Sandstroem, R.; Sankey, D. P. C.; Sannino, M.; Sansoni, A.; Santoni, C.; Santonico, R.; Santos, H.; Santoyo Castillo, I.; Sapp, K.; Sapronov, A.; Saraiva, J. G.; Sarrazin, B.; Sasaki, O.; Sasaki, Y.; Sato, K.; Sauvage, G.; Sauvan, E.; Savage, G.; Savard, P.; Sawyer, C.; Sawyer, L.; Saxon, J.; Sbarra, C.; Sbrizzi, A.; Scanlon, T.; Scannicchio, D. A.; Scarcella, M.; Scarfone, V.; Schaarschmidt, J.; Schacht, P.; Schachtner, B. M.; Schaefer, D.; Schaefer, R.; Schaeffer, J.; Schaepe, S.; Schaetzel, S.; Schäfer, U.; Schaffer, A. C.; Schaile, D.; Schamberger, R. D.; Scharf, V.; Schegelsky, V. A.; Scheirich, D.; Schernau, M.; Schiavi, C.; Schier, S.; Schillo, C.; Schioppa, M.; Schlenker, S.; Schmidt-Sommerfeld, K. R.; Schmieden, K.; Schmitt, C.; Schmitt, S.; Schmitz, S.; Schneider, B.; Schnoor, U.; Schoeffel, L.; Schoening, A.; Schoenrock, B. D.; Schopf, E.; Schott, M.; Schovancova, J.; Schramm, S.; Schreyer, M.; Schuh, N.; Schultens, M. J.; Schultz-Coulon, H.-C.; Schulz, H.; Schumacher, M.; Schumm, B. A.; Schune, Ph.; Schwartzman, A.; Schwarz, T. A.; Schwegler, Ph.; Schweiger, H.; Schwemling, Ph.; Schwienhorst, R.; Schwindling, J.; Schwindt, T.; Sciolla, G.; Scuri, F.; Scutti, F.; Searcy, J.; Seema, P.; Seidel, S. C.; Seiden, A.; Seifert, F.; Seixas, J. M.; Sekhniaidze, G.; Sekhon, K.; Sekula, S. J.; Seliverstov, D. M.; Semprini-Cesari, N.; Serfon, C.; Serin, L.; Serkin, L.; Sessa, M.; Seuster, R.; Severini, H.; Sfiligoj, T.; Sforza, F.; Sfyrla, A.; Shabalina, E.; Shaikh, N. W.; Shan, L. Y.; Shang, R.; Shank, J. T.; Shapiro, M.; Shatalov, P. B.; Shaw, K.; Shaw, S. M.; Shcherbakova, A.; Shehu, C. Y.; Sherwood, P.; Shi, L.; Shimizu, S.; Shimmin, C. O.; Shimojima, M.; Shiyakova, M.; Shmeleva, A.; Shoaleh Saadi, D.; Shochet, M. J.; Shojaii, S.; Shrestha, S.; Shulga, E.; Shupe, M. A.; Sicho, P.; Sickles, A. M.; Sidebo, P. E.; Sidiropoulou, O.; Sidorov, D.; Sidoti, A.; Siegert, F.; Sijacki, Dj.; Silva, J.; Silverstein, S. B.; Simak, V.; Simard, O.; Simic, Lj.; Simion, S.; Simioni, E.; Simmons, B.; Simon, D.; Simon, M.; Sinervo, P.; Sinev, N. B.; Sioli, M.; Siragusa, G.; Sivoklokov, S. Yu.; Sjölin, J.; Sjursen, T. B.; Skinner, M. B.; Skottowe, H. P.; Skubic, P.; Slater, M.; Slavicek, T.; Slawinska, M.; Sliwa, K.; Slovak, R.; Smakhtin, V.; Smart, B. H.; Smestad, L.; Smiesko, J.; Smirnov, S. Yu.; Smirnov, Y.; Smirnova, L. N.; Smirnova, O.; Smith, M. N. K.; Smith, R. W.; Smizanska, M.; Smolek, K.; Snesarev, A. A.; Snyder, S.; Sobie, R.; Socher, F.; Soffer, A.; Soh, D. A.; Sokhrannyi, G.; Solans Sanchez, C. A.; Solar, M.; Soldatov, E. Yu.; Soldevila, U.; Solodkov, A. A.; Soloshenko, A.; Solovyanov, O. V.; Solovyev, V.; Sommer, P.; Son, H.; Song, H. Y.; Sood, A.; Sopczak, A.; Sopko, V.; Sorin, V.; Sosa, D.; Sotiropoulou, C. L.; Soualah, R.; Soukharev, A. M.; South, D.; Sowden, B. C.; Spagnolo, S.; Spalla, M.; Spangenberg, M.; Spanò, F.; Sperlich, D.; Spettel, F.; Spighi, R.; Spigo, G.; Spiller, L. A.; Spousta, M.; St. Denis, R. D.; Stabile, A.; Stamen, R.; Stamm, S.; Stanecka, E.; Stanek, R. W.; Stanescu, C.; Stanescu-Bellu, M.; Stanitzki, M. M.; Stapnes, S.; Starchenko, E. A.; Stark, G. H.; Stark, J.; Staroba, P.; Starovoitov, P.; Stärz, S.; Staszewski, R.; Steinberg, P.; Stelzer, B.; Stelzer, H. J.; Stelzer-Chilton, O.; Stenzel, H.; Stewart, G. A.; Stillings, J. A.; Stockton, M. C.; Stoebe, M.; Stoicea, G.; Stolte, P.; Stonjek, S.; Stradling, A. R.; Straessner, A.; Stramaglia, M. E.; Strandberg, J.; Strandberg, S.; Strandlie, A.; Strauss, M.; Strizenec, P.; Ströhmer, R.; Strom, D. M.; Stroynowski, R.; Strubig, A.; Stucci, S. A.; Stugu, B.; Styles, N. A.; Su, D.; Su, J.; Subramaniam, R.; Suchek, S.; Sugaya, Y.; Suk, M.; Sulin, V. V.; Sultansoy, S.; Sumida, T.; Sun, S.; Sun, X.; Sundermann, J. E.; Suruliz, K.; Susinno, G.; Sutton, M. R.; Suzuki, S.; Svatos, M.; Swiatlowski, M.; Sykora, I.; Sykora, T.; Ta, D.; Taccini, C.; Tackmann, K.; Taenzer, J.; Taffard, A.; Tafirout, R.; Taiblum, N.; Takai, H.; Takashima, R.; Takeshita, T.; Takubo, Y.; Talby, M.; Talyshev, A. A.; Tan, K. G.; Tanaka, J.; Tanaka, R.; Tanaka, S.; Tannenwald, B. B.; Tapia Araya, S.; Tapprogge, S.; Tarem, S.; Tartarelli, G. F.; Tas, P.; Tasevsky, M.; Tashiro, T.; Tassi, E.; Tavares Delgado, A.; Tayalati, Y.; Taylor, A. C.; Taylor, G. N.; Taylor, P. T. E.; Taylor, W.; Teischinger, F. A.; Teixeira-Dias, P.; Temming, K. K.; Temple, D.; Ten Kate, H.; Teng, P. K.; Teoh, J. J.; Tepel, F.; Terada, S.; Terashi, K.; Terron, J.; Terzo, S.; Testa, M.; Teuscher, R. J.; Theveneaux-Pelzer, T.; Thomas, J. P.; Thomas-Wilsker, J.; Thompson, E. N.; Thompson, P. D.; Thompson, A. S.; Thomsen, L. A.; Thomson, E.; Thomson, M.; Tibbetts, M. J.; Ticse Torres, R. E.; Tikhomirov, V. O.; Tikhonov, Yu. A.; Timoshenko, S.; Tipton, P.; Tisserant, S.; Todome, K.; Todorov, T.; Todorova-Nova, S.; Tojo, J.; Tokár, S.; Tokushuku, K.; Tolley, E.; Tomlinson, L.; Tomoto, M.; Tompkins, L.; Toms, K.; Tong, B.; Torrence, E.; Torres, H.; Torró Pastor, E.; Toth, J.; Touchard, F.; Tovey, D. R.; Trefzger, T.; Tricoli, A.; Trigger, I. M.; Trincaz-Duvoid, S.; Tripiana, M. F.; Trischuk, W.; Trocmé, B.; Trofymov, A.; Troncon, C.; Trottier-McDonald, M.; Trovatelli, M.; Truong, L.; Trzebinski, M.; Trzupek, A.; Tseng, J. C.-L.; Tsiareshka, P. V.; Tsipolitis, G.; Tsirintanis, N.; Tsiskaridze, S.; Tsiskaridze, V.; Tskhadadze, E. G.; Tsui, K. M.; Tsukerman, I. I.; Tsulaia, V.; Tsuno, S.; Tsybychev, D.; Tudorache, A.; Tudorache, V.; Tuna, A. N.; Tupputi, S. A.; Turchikhin, S.; Turecek, D.; Turgeman, D.; Turra, R.; Turvey, A. J.; Tuts, P. M.; Tyndel, M.; Ucchielli, G.; Ueda, I.; Ueno, R.; Ughetto, M.; Ukegawa, F.; Unal, G.; Undrus, A.; Unel, G.; Ungaro, F. C.; Unno, Y.; Unverdorben, C.; Urban, J.; Urquijo, P.; Urrejola, P.; Usai, G.; Usanova, A.; Vacavant, L.; Vacek, V.; Vachon, B.; Valderanis, C.; Valdes Santurio, E.; Valencic, N.; Valentinetti, S.; Valero, A.; Valery, L.; Valkar, S.; Vallecorsa, S.; Valls Ferrer, J. A.; van den Wollenberg, W.; van der Deijl, P. C.; van der Geer, R.; van der Graaf, H.; van Eldik, N.; van Gemmeren, P.; van Nieuwkoop, J.; van Vulpen, I.; van Woerden, M. C.; Vanadia, M.; Vandelli, W.; Vanguri, R.; Vaniachine, A.; Vankov, P.; Vardanyan, G.; Vari, R.; Varnes, E. W.; Varol, T.; Varouchas, D.; Vartapetian, A.; Varvell, K. E.; Vasquez, J. G.; Vazeille, F.; Vazquez Schroeder, T.; Veatch, J.; Veloce, L. M.; Veloso, F.; Veneziano, S.; Ventura, A.; Venturi, M.; Venturi, N.; Venturini, A.; Vercesi, V.; Verducci, M.; Verkerke, W.; Vermeulen, J. C.; Vest, A.; Vetterli, M. C.; Viazlo, O.; Vichou, I.; Vickey, T.; Vickey Boeriu, O. E.; Viehhauser, G. H. A.; Viel, S.; Vigani, L.; Vigne, R.; Villa, M.; Villaplana Perez, M.; Vilucchi, E.; Vincter, M. G.; Vinogradov, V. B.; Vittori, C.; Vivarelli, I.; Vlachos, S.; Vlasak, M.; Vogel, M.; Vokac, P.; Volpi, G.; Volpi, M.; von der Schmitt, H.; von Toerne, E.; Vorobel, V.; Vorobev, K.; Vos, M.; Voss, R.; Vossebeld, J. H.; Vranjes, N.; Vranjes Milosavljevic, M.; Vrba, V.; Vreeswijk, M.; Vuillermet, R.; Vukotic, I.; Vykydal, Z.; Wagner, P.; Wagner, W.; Wahlberg, H.; Wahrmund, S.; Wakabayashi, J.; Walder, J.; Walker, R.; Walkowiak, W.; Wallangen, V.; Wang, C.; Wang, C.; Wang, F.; Wang, H.; Wang, H.; Wang, J.; Wang, J.; Wang, K.; Wang, R.; Wang, S. M.; Wang, T.; Wang, T.; Wang, W.; Wang, X.; Wanotayaroj, C.; Warburton, A.; Ward, C. P.; Wardrope, D. R.; Washbrook, A.; Watkins, P. M.; Watson, A. T.; Watson, M. F.; Watts, G.; Watts, S.; Waugh, B. M.; Webb, S.; Weber, M. S.; Weber, S. W.; Webster, J. S.; Weidberg, A. R.; Weinert, B.; Weingarten, J.; Weiser, C.; Weits, H.; Wells, P. S.; Wenaus, T.; Wengler, T.; Wenig, S.; Wermes, N.; Werner, M.; Werner, P.; Wessels, M.; Wetter, J.; Whalen, K.; Whallon, N. L.; Wharton, A. M.; White, A.; White, M. J.; White, R.; Whiteson, D.; Wickens, F. J.; Wiedenmann, W.; Wielers, M.; Wienemann, P.; Wiglesworth, C.; Wiik-Fuchs, L. A. M.; Wildauer, A.; Wilk, F.; Wilkens, H. G.; Williams, H. H.; Williams, S.; Willis, C.; Willocq, S.; Wilson, J. A.; Wingerter-Seez, I.; Winklmeier, F.; Winston, O. J.; Winter, B. T.; Wittgen, M.; Wittkowski, J.; Wollstadt, S. J.; Wolter, M. W.; Wolters, H.; Wosiek, B. K.; Wotschack, J.; Woudstra, M. J.; Wozniak, K. W.; Wu, M.; Wu, M.; Wu, S. L.; Wu, X.; Wu, Y.; Wyatt, T. R.; Wynne, B. M.; Xella, S.; Xu, D.; Xu, L.; Yabsley, B.; Yacoob, S.; Yakabe, R.; Yamaguchi, D.; Yamaguchi, Y.; Yamamoto, A.; Yamamoto, S.; Yamanaka, T.; Yamauchi, K.; Yamazaki, Y.; Yan, Z.; Yang, H.; Yang, H.; Yang, Y.; Yang, Z.; Yao, W.-M.; Yap, Y. C.; Yasu, Y.; Yatsenko, E.; Yau Wong, K. H.; Ye, J.; Ye, S.; Yeletskikh, I.; Yen, A. L.; Yildirim, E.; Yorita, K.; Yoshida, R.; Yoshihara, K.; Young, C.; Young, C. J. S.; Youssef, S.; Yu, D. R.; Yu, J.; Yu, J. M.; Yu, J.; Yuan, L.; Yuen, S. P. Y.; Yusuff, I.; Zabinski, B.; Zaidan, R.; Zaitsev, A. M.; Zakharchuk, N.; Zalieckas, J.; Zaman, A.; Zambito, S.; Zanello, L.; Zanzi, D.; Zeitnitz, C.; Zeman, M.; Zemla, A.; Zeng, J. C.; Zeng, Q.; Zengel, K.; Zenin, O.; Ženiš, T.; Zerwas, D.; Zhang, D.; Zhang, F.; Zhang, G.; Zhang, H.; Zhang, J.; Zhang, L.; Zhang, R.; Zhang, R.; Zhang, X.; Zhang, Z.; Zhao, X.; Zhao, Y.; Zhao, Z.; Zhemchugov, A.; Zhong, J.; Zhou, B.; Zhou, C.; Zhou, L.; Zhou, L.; Zhou, M.; Zhou, N.; Zhu, C. G.; Zhu, H.; Zhu, J.; Zhu, Y.; Zhuang, X.; Zhukov, K.; Zibell, A.; Zieminska, D.; Zimine, N. I.; Zimmermann, C.; Zimmermann, S.; Zinonos, Z.; Zinser, M.; Ziolkowski, M.; Živković, L.; Zobernig, G.; Zoccoli, A.; Zur Nedden, M.; Zurzolo, G.; Zwalinski, L.; Atlas Collaboration

    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.

  17. 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. PMID:26395703

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. Absolute triple-differential cross sections for ionization-excitation of helium

    SciTech Connect

    Bartschat, K.; Bray, I.; Fursa, D. V.; Stelbovics, A. T.

    2007-08-15

    Triple-differential cross sections (TDCSs) for electron-impact ionization of He(1s{sup 2}){sup 1}S leading to He{sup +}(1s) are calculated using the highly accurate convergent close-coupling (CCC) method for incident projectile energies of 268.6 and 112.6 eV, with at least one of the outgoing electrons having an energy of 44 eV. These results are used to obtain absolute TDCSs from the recent experimental data [Bellm et al., Phys. Rev. A 75, 042704 (2007)] for TDCS ratios of ionization with no excitation to ionization with excitation resulting in He{sup +}(n=2,3,4). The TDCSs can be used as comparison benchmarks in future studies, and already allow us to test the accuracy of the TDCSs obtained from the hybrid distorted-wave+R-matrix (close-coupling) model, which was fairly successful in predicting the ratios, using CCC for n=1 and experimental results for n=2,3,4.

  4. 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

  5. A first-principle protocol for calculating ionization energies and redox potentials of solvated molecules and ions: Theory and application to aqueous phenol and phenolate

    PubMed Central

    Ghosh, Debashree; Roy, Anirban; Seidel, Robert; Winter, Bernd; Bradforth, Stephen; Krylov, Anna I.

    2012-01-01

    The effect of hydration on the lowest vertical ionization energy (VIE) of phenol and phenolate solvated in bulk water was characterized using the equation-of-motion ionization potential coupled-cluster (EOM-IP-CCSD) and effective fragment potential (EFP) methods (referred to as EOM/EFP), and determined experimentally by valence photo-emission measurements using microjets and synchrotron radiation. The computed solvent-induced shifts in VIEs (ΔVIE) are −0.66 eV and +5.72 eV for phenol and phenolate, respectively. Our best estimates of the absolute values of VIEs (7.9 and 7.7 eV for phenol and phenolate) agree reasonably well with the respective experimental values (7.8±0.1 eV and 7.1±0.1 eV). The EOM/EFP scheme was benchmarked against full EOM-IP-CCSD using micro-solvated phenol and phenolate clusters. A protocol for calculating redox potentials with EOM/EFP was developed based on linear response approximation (LRA) of free energy determination. The oxidation potentials of phenol and phenolate calculated using LRA and EOM/EFP are 1.32 V and 0.89 V, respectively; they agree well with experimental values. PMID:22497288

  6. 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.

  7. C 1s and N 1s core excitation of aniline: Experiment by electron impact and ab initio calculations

    SciTech Connect

    Duflot, D.; Flament, J.-P.; Giuliani, A.; Heinesch, J.; Grogna, M.; Hubin-Franskin, M.-J.

    2007-05-15

    Core shell excitation spectra of aniline at the carbon and nitrogen 1s edges have been obtained by inner-shell electron energy-loss spectroscopy recorded under scattering conditions where electric dipolar conditions dominate, with higher resolution than in the previous studies. They are interpreted with the aid of ab initio configuration interaction calculations. The spectrum at the C 1s edge is dominated by an intense {pi}{sup *} band. The calculated chemical shift due to the different chemical environment at the carbon 1s edge calculated is in agreement with the experimental observations within a few tenths of an eV. The transition energies of the most intense bands in the C 1s excitation spectrum are discussed at different levels of calculations. In the nitrogen 1s excitation spectrum the most intense bands are due to Rydberg-valence transitions involving the {sigma}{sup *}-type molecular orbitals, in agreement with the experiment. This assignment is different from that of extended Hueckel molecular orbital calculations. The geometries of the core excited states have been calculated and compared to their equivalent core molecules and benzene.

  8. Precision Measurement of the Ionization Energy of the GK ^1Σ_g^+ (v=1,N=1) State of Molecular Hydrogen.

    NASA Astrophysics Data System (ADS)

    Beyer, M.; Sprecher, D.; Merkt, F.

    2013-06-01

    The ionization energy of the GK ^1Σ_g^+ (v=1,N=1) state of ortho H_2 has been determined at a precision of 1.2 MHz by near-infrared laser spectroscopy. The measurement was performed by first exciting molecular hydrogen from the X ^1Σ_g^+ (v=0,N=1) state to the GK ^1Σ_g^+ (v=1,N=1) state in a resonant two-photon process via the B ^1Σ_u^+ (v=3,N=2) state and then measuring the frequency of the transition between the GK ^1Σ_g^+ (v=1,N=1) state and the 56p (S=0,N=1) Rydberg state belonging to the series converging on the X^+ ^2Σ_g^+ (v^+=0,N^+=1) ground state of ortho H_2^+. The ionization energy of the GK ^1Σ_g^+ (v=1,N=1) state was obtained by adding this frequency to the binding energy of the 56p (S=0,N=1) Rydberg state which has been determined previously by millimeter-wave spectroscopy and multichannel quantum-defect theory. For the measurement we used a homebuilt pulsed NIR laser with Fourier-transform-limited linewidth and adjustable pulse duration. To reach the desired accuracy, systematic errors originating from ac and dc Stark shifts, from pressure shifts, and from the frequency shifts and chirps accompanying the generation of the NIR laser pulses were quantified. The ionization energy of the GK ^1Σ_g^+ (v=1,N=1) state will be compared with earlier results. New attempts of measuring the binding energy of the EF ^1Σ_g^+ state will also be mentioned. A. Osterwalder, A. Wüest, F. Merkt and Ch. Jungen, {J. Chem. Phys.} 121 (23), 11810 (2004). D. Sprecher, Ch. Jungen, W. Ubachs and F. Merkt, {Faraday Discuss.} 150, 51 (2011). Ch. Jungen, I. Dabrowski, G. Herzberg and M. Vervloet, {J. Chem. Phys.} 93 (4), 2289 (1990). D. Bailly, E. J. Salumbides, M. Vervloet and W. Ubachs, {Mol. Phys.} 108 (7-9), 827 (2010).

  9. A Tale of Two Narrow-line Regions: Ionization, Kinematics, and Spectral Energy Distributions for a Local Pair of Merging Obscured Active Galaxies

    NASA Astrophysics Data System (ADS)

    Hainline, Kevin N.; Hickox, Ryan C.; Chen, Chien-Ting; Carroll, Christopher M.; Jones, Mackenzie L.; Zervos, Alexandros S.; Goulding, Andrew D.

    2016-05-01

    We explore the gas ionization and kinematics, as well as the optical-IR spectral energy distributions for UGC 11185, a nearby pair of merging galaxies hosting obscured active galactic nuclei (AGNs), also known as SDSS J181611.72+423941.6 and J181609.37+423923.0 (J1816NE and J1816SW, z ≈ 0.04). Due to the wide separation between these interacting galaxies (∼23 kpc), observations of these objects provide a rare glimpse of the concurrent growth of supermassive black holes at an early merger stage. We use BPT line diagnostics to show that the full extent of the narrow-line emission in both galaxies is photoionized by an AGN, and confirm the existence of a 10 kpc-scale ionization cone in J1816NE, while in J1816SW the AGN narrow-line region is much more compact (1–2 kpc) and relatively undisturbed. Our observations also reveal the presence of ionized gas that nearly spans the entire distance between the galaxies, which is likely in a merger-induced tidal stream. In addition, we carry out a spectral analysis of the X-ray emission using data from XMM-Newton. These galaxies represent a useful pair to explore how the [O iii] luminosity of an AGN is dependent on the size of the region used to explore the extended emission. Given the growing evidence for AGN “flickering” over short timescales, we speculate that the appearances and impacts of these AGNs may change multiple times over the course of the galaxy merger, which is especially important given that these objects are likely the progenitors of the types of systems commonly classified as “dual AGNs.”

  10. 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.

  11. Measuring Ionization at Extreme Densities

    NASA Astrophysics Data System (ADS)

    Kraus, Dominik; Doeppner, Tilo; Kritcher, Andrea; Bachmann, Benjamin; Fletcher, Luke; Falcone, Roger; Gericke, Dirk; Glenzer, Siegfried; Masters, Nathan; Nora, Ryan; Boehm, Kurt; Divol, Laurent; Landen, Otto; Yi, Austin; Kline, John; Redmer, Ronald; Neumayer, Paul

    2015-11-01

    A precise knowledge of ionization at given temperature and density is crucial in order to properly model compressibility and heat capacity of ICF ablator materials for efficient implosions producing energy gain. Here, we present a new experimental platform to perform spectrally resolved x-ray scattering measurements of ionization, density and temperature in imploding CH or beryllium capsules on the National Ignition Facility. Recording scattered x-rays at 9 keV from a zinc He-alpha plasma source at a scattering angle of 120 degrees, first experiments show strong sensitivity to k-shell ionization, while at the same time constraining density and temperature. This platform will allow for x-ray Thomson scattering studies of dense plasmas with free electron densities up to 1025 cm-3, giving the possibility to investigate effects of continuum lowering and Pauli blocking on the ablator ionization state right before stagnation of the implosion.

  12. Double ionization of atomic cadmium

    SciTech Connect

    Linusson, P.; Fritzsche, S.; Eland, J. H. D.; Hedin, L.; Karlsson, L.; Feifel, R.

    2011-02-15

    We have recorded the double photoionization spectrum of atomic Cd at four different photon energies in the range 40-200 eV. The main channel is single ionization and subsequent decay of excited Cd{sup +} states, some involving Coster-Kronig processes, whereas direct double ionization is found to be weak. The decay of the excited Cd{sup +} states shows a strong selectivity, related to the configuration of the final state. Double ionization leading to the Cd{sup 2+} ground state is investigated in some detail and is found to proceed mainly through ionization and decay of 4d correlation satellites. The most prominent autoionization peaks have been identified with the aid of quantum-mechanical calculations.

  13. Theoretical study of asymmetric molecular-frame photoelectron angular distributions for C 1s photoejection from CO2

    SciTech Connect

    Rescigno, Thomas N; Miyabe, S.; McCurdy, C.W.; Orel, A.E.

    2009-02-18

    We report the results of ab initio calculations of cross sections and molecular-frame photoelectron angular distributions for C 1s ionization of CO2, and propose a mechanism for the recently observed asymmetry of those angular distributions with respect to the CO^+and O^+ions produced by subsequent Auger decay. The fixed-nuclei, photoionization amplitudes were constructed using variationally obtained electron-molecular ion scattering wave functions. We have also carried out electronic structure calculations which identify a dissociative state of the CO2^++ dication that is likely populated following Auger decay and which leads to O^+ + CO^+ fragment ions. We show that a proper accounting of vibrational motion in the computation of the photoelectron angular distributions, along with reasonable assumptions about the nuclear dissociation dynamics, gives results in good agreement with recent experimental observations. We also demonstrate that destructive interference between different partial waves accounts for sudden changes with photon energy in the observed angular distributions.

  14. Two-photon double ionization of atomic beryllium with ultrashort laser pulses

    NASA Astrophysics Data System (ADS)

    Yip, F. L.; Palacios, A.; Martín, F.; Rescigno, T. N.; McCurdy, C. W.

    2015-11-01

    We investigate the two-photon double ionization of beryllium atom induced by ultrashort pulses. We use a time-dependent formalism to evaluate the ionization amplitudes and generalized cross sections for the ejection of the 2 s2 valence shell electrons in the presence of a fully occupied 1 s2 frozen core shell. The relative contributions of the two-photon direct and sequential process are systematically explored by varying both pulse duration and central frequency. The energy and angular differential ionization yields reveal the signatures of both mechanisms, as well as the role of electron correlation in both the single and double ionization continua. In contrast with previous results on the helium atom, the presence of an electronic core strongly affects the final state leading to back-to-back electron emission even in the a priori less correlated two-photon sequential mechanism. In particular, a dominant pathway via excitation ionization through the Be+(2 p ) determines the profiles and pulse-duration dependencies of the energy and angle differential yields.

  15. 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.

  16. Fluid hydrogen at high density - Pressure ionization

    NASA Technical Reports Server (NTRS)

    Saumon, Didier; Chabrier, Gilles

    1992-01-01

    The Helmholtz-free-energy model for nonideal mixtures of hydrogen atoms and molecules by Saumon and Chabrier (1991) is extended to describe dissociation and ionization in similar mixtures in chemical equilibrium. A free-energy model is given that describes partial ionization in the pressure and temperature ionization region. The plasma-phase transition predicted by the model is described for hydrogen mixtures including such components as H2, H, H(+), and e(-). The plasma-phase transition has a critical point at Tc = 15,300 K and Pc = 0.614 Mbar, and thermodynamic instability is noted in the pressure-ionization regime. The pressure dissociation and ionization of fluid hydrogen are described well with the model yielding information on the nature of the plasma-phase transition. The model is shown to be valuable for studying dissociation and ionization in astrophysical objects and in high-pressure studies where pressure and temperature effects are significant.

  17. Fragmentation energy index for universalization of fragmentation energy in ion trap mass spectrometers for the analysis of chemical weapon convention related chemicals by atmospheric pressure ionization-tandem mass spectrometry analysis.

    PubMed

    Palit, Meehir; Mallard, Gary

    2009-04-01

    The use of mass spectra generated at 70 eV in electron ionization (EI) as a universal standard for EI has helped in the generation of searchable library databases and had a profound influence on the analytical applications of gas chromatography/mass spectrometry (GC/MS), similarly for liquid chromatography tandem mass spectrometry (LC-MS/MS), suggesting a novel method to normalize the collisional energy for the universalization of fragmentation energy for the analysis of Chemical Weapon Convention (CWC)-related chemicals by atmospheric pressure ionization-tandem mass spectrometry (API-MS(n)) using three-dimensional (3D) ion trap instruments. For normalizing fragmentation energy a "fragmentation energy index" (FEI) is proposed which is an arbitrary scale based on the fact of specific MS/MS fragmentation obtained at different collisional energies for the reference chemicals which are not CWC scheduled compounds. FEI 6 for the generation of an MS(n) library-searchable mass spectral database is recommended. PMID:19331429

  18. 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]. PMID:24796487

  19. 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.

  20. Weakly ionized cosmic gas: Ionization and characterization

    NASA Technical Reports Server (NTRS)

    Rosenberg, M.; Mendis, D. A.; Chow, V. W.

    1994-01-01

    Since collective plasma behavior may determine important transport processes (e.g., plasma diffusion across a magnetic field) in certain cosmic environments, it is important to delineate the parameter space in which weakly ionized cosmic gases may be characterized as plasmas. In this short note, we do so. First, we use values for the ionization fraction given in the literature, wherein the ionization is generally assumed to be due primarily to ionization by cosmic rays. We also discuss an additional mechanism for ionization in such environments, namely, the photoelectric emission of electrons from cosmic dust grains in an interstellar Far Ultra Violet (FUV) radiation field. Simple estimates suggest that under certain conditions this mechanism may dominate cosmic ray ionization, and possibly also the photoionization of metal atoms by the interstellar FUV field, and thereby lead to an enhanced ionization level.

  1. Studies on laser-assisted Penning ionization by the optogalvanic effect in Ne/Eu hollow cathode discharge.

    PubMed

    Saini, V K; Kumar, P; Dixit, S K; Nakhe, S V

    2015-02-01

    Laser-assisted Penning ionization (LAPI) is detected in a Ne/Eu hollow cathode (HC) discharge lamp using the pulsed optogalvanic (OG) method. In the Ne/Eu discharge, doubly ionized europium excited energy levels Eu[4f(7)(P(7/2,5/2)6)] lie within the thermal limit (∼kT) from the laser-excited neon's energy level [2p(5)(P3/202)3p or 2p(8) (in Paschen notation)] lying at 149,848  cm(-1). Therefore, Penning ionization (PI) of europium atoms likely to occur into its highly excited ionic states is investigated. To probe the PI of europium, the temporal profiles of its counterpart neon OG signal are studied as a function of discharge current for the transitions (1s(4)→2p(8)) and (1s(2)→2p(2)), corresponding to 650.65 and 659.89 nm wavelengths, respectively. It is observed that PI of europium alters the overall discharge characteristics significantly and, hence, modifies the temporal profile of the OG signals accordingly. The quasi-resonant ionizing energy transfer collisions between laser-excited Ne 2p(8) atoms and electronically excited europium P(9/2)10 atoms are used to explain the LAPI mechanism. Such LAPI studies carried out in HC discharge could be useful for the discharge of a metal-vapor laser with appropriate Penning mixtures. PMID:25967764

  2. Single and Double Ionization in F9+ + He Collisions

    NASA Astrophysics Data System (ADS)

    Pindzola, M. S.; Lee, T. G.; Colgan, J.

    2015-05-01

    Time-dependent close-coupling methods are used to calculate differential cross sections for the single and double ionization in F9+ + He collisions. Single ionization energy differential cross sections are compared with recent experimental results. Double ionization energy differential cross sections are presented to guide future experiments. Work supported in part by grants from NSF and DOE.

  3. Pathway of D{sup +} in sequential double ionization of D{sub 2} in an intense laser pulse

    SciTech Connect

    Vafaee, Mohsen; Shokri, Babak

    2010-05-15

    Details of the pathway for the dissociative ionization process of the ground electronic state of aligned D{sub 2}{sup +} produced from the first ionization of D{sub 2} in a short ({approx}100 fs) and intense (4.0x10{sup 14} W cm{sup -2}) 480 nm laser pulse are analyzed and visualized. The initial vibrational state of D{sub 2}{sup +} comes from the vertical transformation of the ground state of D{sub 2}. The initial wave packet in the ground electronic state of D{sub 2}{sup +} is outgoing through a dissociation-ionization channel accompanied by a strong coupling between the 1s{sigma}{sub g} and 2p{sigma}{sub u} electronic states. We show explicitly that the transition from the coupling states 1s{sigma}{sub g} and 2p{sigma}{sub u} to the ionization state is not a direct transition, but takes place through other intermediate states having some dissociative energy that results in a relatively wide internuclear distribution of the ionization state.

  4. [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. PMID:25958467

  5. 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.

  6. Comprehensive metabolite profiling of Plantaginis Semen using ultra high performance liquid chromatography with electrospray ionization quadrupole time-of-flight tandem mass spectrometry coupled with elevated energy technique.

    PubMed

    Wang, Dandan; Qi, Meng; Yang, Qiming; Tong, Renchao; Wang, Rui; Bligh, S W Annie; Yang, Li; Wang, Zhengtao

    2016-05-01

    Plantaginis Semen is commonly used in traditional medicine to treat edema, hypertension, and diabetes. The commercially available Plantaginis Semen in China mainly comes from three species. To clarify the chemical composition and distinct different species of Plantaginis Semen, we established a metabolite profiling method based on ultra high performance liquid chromatography with electrospray ionization quadrupole time-of-flight tandem mass spectrometry coupled with elevated energy technique. A total of 108 compounds, including phenylethanoid glycosides, flavonoids, guanidine derivatives, terpenoids, organic acids, and fatty acids, were identified from Plantago asiatica L., P. depressa Willd., and P. major L. Results showed significant differences in chemical components among the three species, particularly flavonoids. This study is the first to provide a comprehensive chemical profile of Plantaginis Semen, which could be involved into the quality control, medication guide, and developing new drug of Plantago seeds. PMID:27030316

  7. Strong-field ionization of H{sub 2} from ultraviolet to near-infrared wavelengths: Photoelectron energy and angular identifications

    SciTech Connect

    Wilbois, Timo; Helm, Hanspeter

    2011-11-15

    Strong-field ionization of molecular hydrogen is studied at wavelengths ranging from 300 to 800 nm using pulses of 100-fs duration. We find that over this wide wavelength range, from nominally 4-photon to 11-photon ionization, resonance features dominate the ionization probability at intensities below 10{sup 14} W/cm{sup 2}. Photoelectron momentum maps recorded by an imaging spectrometer are analyzed to identify the wavelength-dependent ionization pathways in single ionization of molecular hydrogen. A number of models, some empirical, which are appropriate for a quantitative interpretation of the spectra and the ionization yield are introduced. A near-absolute comparison of measured ionization yields at 398 nm is made with the predictions based on a numerical solution [Y. V. Vanne and A. Saenz, Phys. Rev. A 79, 023421 (2009)] of the time-dependent Schroedinger equation for two correlated electrons.

  8. 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.

  9. CRAY-1S integer vector utility library

    SciTech Connect

    Rogers, J.N.; Tooman, T.P.

    1982-06-01

    This report describes thirty-five integer or packed vector utility routines, and documents their testing. These routines perform various vector searches, linear algebra functions, memory resets, and vector boolean operations. They are written in CAL, the assembly language on the CRAY-1S computer. By utilizing the vector processing features of that machine, they are optimized in terms of run time. Each routine has been extensively tested.

  10. Carbon 1s core-hole lifetime in CO2

    NASA Astrophysics Data System (ADS)

    Carroll, T. X.; Hahne, J.; Thomas, T. D.; Sæthre, L. J.; Berrah, N.; Bozek, J.; Kukk, E.

    2000-04-01

    The carbon 1s photoelectron spectrum has been measured for CO2 at photon energies of 308, 320, and 330 eV with an instrumental resolution about half the natural linewidth. These spectra have been analyzed to obtain vibrational spacings, vibrational intensities, and the lifetime, τ, of the carbon 1s core-hole state. Theoretical calculation of the lifetime width, ħ/τ, using a one-center model, which assumes that only the valence electrons localized on the atom with the core hole can participate in Auger deexcitation of the core hole, predicts a value of 66 meV, considerably smaller than that predicted for CH4 (96 meV). Experimental measurements indicate, however, that the CO2 carbon 1s width is, in fact, much larger than expected-99+/-2 meV-and is approximately the same as that found experimentally for CH4 (95+/-2 meV). This result indicates that valence electrons on the oxygen atoms may play a role in the Auger decay the carbon 1s core hole in CO2, and, hence, that a multicenter model may be necessary to describe the Auger process.

  11. Description of ionization in the molecular approach to atomic collisions

    SciTech Connect

    Harel, C.; Jouin, H.; Pons, B.; Errea, L.F.; Mendez, L.; Riera, A.

    1997-01-01

    Molecular treatments of atomic collisions have traditionally been restricted to low nuclear velocities because of their failure to reproduce the fall of the capture cross sections at higher velocities. The limitation has recently been seen to be due to their description of ionizing processes. This feature is shown here to be a general one for multicharged ion-atom collisions. Its origin and characteristics are described and illustrated for the prototypical Li{sup 3+}+H(1s) reaction. Ionization appears as a result of the inertia of the electron cloud to adiabatically follow the nuclear motion. This gives rise to nonadiabatic transitions, which represent an ionizing flux whenever the nuclear velocity is high enough that the energy of the traveling molecular orbitals involved is positive in both moving atomic reference frames. Two strongly connected mechanisms appear, corresponding to the relative translational and rotational nuclear motions. Because of the finiteness of the basis, these mechanisms terminate with unphysical trapping effects. While interesting {ital per se}, knowledge of these features is also useful with respect to improving molecular treatments of atomic collisions with the addition of pseudostates. {copyright} {ital 1996} {ital The American Physical Society}

  12. Singlet-triplet energy splitting between 1D and 3D (1s2 2s nd), n = 3, 4, 5, and 6, Rydberg states of the beryllium atom (9Be) calculated with all-electron explicitly correlated Gaussian functions

    NASA Astrophysics Data System (ADS)

    Sharkey, Keeper L.; Bubin, Sergiy; Adamowicz, Ludwik

    2014-11-01

    Accurate variational nonrelativistic quantum-mechanical calculations are performed for the five lowest 1D and four lowest 3D states of the 9Be isotope of the beryllium atom. All-electron explicitly correlated Gaussian (ECG) functions are used in the calculations and their nonlinear parameters are optimized with the aid of the analytical energy gradient determined with respect to these parameters. The effect of the finite nuclear mass is directly included in the Hamiltonian used in the calculations. The singlet-triplet energy gaps between the corresponding 1D and 3D states, are reported.

  13. Angular distributions of molecular Auger electrons: The case of C 1s Auger emission in CO

    SciTech Connect

    Semenov, S. K.; Kuznetsov, V. V.; Cherepkov, N. A.; Bolognesi, P.; Feyer, V.; Lahmam-Bennani, A.; Casagrande, M. E. Staicu; Avaldi, L.

    2007-03-15

    The results of a study of the Auger-electron-photoelectron angular correlations in the case of the C 1s ionization of the CO molecule are presented and compared with theoretical calculations in the Hartree-Fock approximation based on the two-step model. The measurements have been performed at two photon energies, 305 and 318 eV, respectively, and at three angles of photoelectron emission relative to the light polarization vector: namely, 0 degree sign , 30 degree sign , and 60 degree sign . A general agreement is found between theory and experiment for the coincidence angular distributions and the relative magnitudes of the Auger-electron-photoelectron angular correlations. However, both experiment and theory show that the Auger-electron-photoelectron angular correlations are not sufficiently sensitive to the details of the Auger-electron wave function to allow a 'complete' Auger experiment in molecules. On the other hand, our calculations demonstrate that the Auger-electron angular distribution measured in the molecular frame is very sensitive to the individual contributions of different partial waves of the Auger electron. Therefore we conclude that the complete experiment for the Auger decay in molecules can be realized only measuring the Auger-electron angular distributions in the molecular frame.

  14. Cross section of the impact single ionization of B2+ by H+

    NASA Astrophysics Data System (ADS)

    Ye, Dan-Dan; Qi, Yue-Ying; Hu, Ya-Hua; Ning, Li-Na

    2013-05-01

    The ionization process of B2+ by H+ impact is studied using the continuum-distorted-wave eikonal-initial-state (CDW-EIS) method and the modified free electron peak approximation (M-FEPA), respectively. Total, single-, and double-differential cross sections from 1s and 2s orbitals are presented for the energy range from 10 keV/u to 10 MeV/u. Comparison between the results from the two methods demonstrates that the total and single-differential cross sections for the high-energy incident projectile case can be well evaluated using the simple M-FEPA model. Moreover, the M-FEPA model reproduces the essential features of the binary-encounter (BE) bump in the double-differential cross sections. Thus, the BE ionization mechanism is discussed in detail by adopting the M-FEPA model. In particular, the double- and singledifferential cross sections from the 2s orbital show a high-energy hip, which is different from those from the 1s orbital. Based on Ref. [1], the Compton profiles of B2+ for 1s and 2s orbitals are given, and the hips in DDCS and SDCS from the 2s orbital are explained.

  15. 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.

  16. Medium-energy ion-beam simulation of the effect of ionizing radiation and displacement damage on SiO2-based memristive nanostructures

    NASA Astrophysics Data System (ADS)

    Belov, Alexey; Mikhaylov, Alexey; Korolev, Dmitry; Guseinov, Davud; Gryaznov, Eugeny; Okulich, Eugenia; Sergeev, Victor; Antonov, Ivan; Kasatkin, Alexandr; Gorshkov, Oleg; Tetelbaum, David; Kozlovski, Vitali

    2016-07-01

    The principles of ion-beam simulation of the effect of fast (fission) neutrons and high-energy protons based on medium-energy ion irradiation have been developed for the Au/Zr/SiO2/TiN/Ti capacitor-like memristive nanostructures demonstrating the repeatable resistive switching phenomenon. By using the Monte-Carlo approach, the irradiation fluences of H+, Si+ and O+ ions at the energy of 150 keV are determined that provide the ionization and displacement damage equivalent to the cases of space protons (15 MeV) and fission neutrons (1 MeV) irradiation. No significant change in the resistive switching parameters is observed under ion irradiation up to the fluences corresponding to the extreme fluence of 1017 cm-2 of space protons or fission neutrons. The high-level radiation tolerance of the memristive nanostructures is experimentally confirmed with the application of 15 MeV proton irradiation and is interpreted as related to the local nature of conducting filaments and high concentration of the initial field-induced defects in oxide film.

  17. Total and state-to-state electron capture and excitation cross-sections for Li+, Be{}^{2+}, and {{\\rm{B}}}^{3+} colliding with {\\rm{H}}(1\\;s) at low-to-intermediate energies

    NASA Astrophysics Data System (ADS)

    Domínguez-Gutiérrez, F. J.; Cabrera-Trujillo, R.

    2016-01-01

    The electron capture process plays an important role as a diagnostic tool for measuring the temperature, plasma rotation, and impurity densities of plasma in tokamaks. In this work we report the electron capture and excitation cross-sections for Li+, Be{}2+, and {{{B}}}3+ colliding with atomic hydrogen in the collision energy range 0.25-25 keV/amu. For this, we solve numerically the time dependent Schrödinger equation by using a finite difference approach. We model the ion projectile interaction with the target using a pseudopotential obtained within a Hartree-Fock method. We use classical trajectories, obtained self-consistently, for the projectile at collision energies lower than 2 keV/amu and a straight line trajectory at high collision energies. We report new results for the total, n=2,3, and 4 state projectile electron capture cross-section, as well as the n = 2-state target excitation cross-section. We find a good agreement between our cross-section results when compared with available theoretical and experimental data found in the literature. Finally, we find that the electron capture probability, as a function of the impact parameter, shows Stückelberg oscillations at low collision energies for the n = 2 of Be+ and n = 3 of {{{B}}}2+, in the radial range (large impact parameters). Our results assess the validity of the adiabatic basis set at low collision energies and confirm the use of a finite difference method as an accurate approach to study a time-dependent process in charge exchange collisions. A discussion of our results is provided.

  18. Development of dielectric-barrier-discharge ionization.

    PubMed

    Guo, Cheng'an; Tang, Fei; Chen, Jin; Wang, Xiaohao; Zhang, Sichun; Zhang, Xinrong

    2015-03-01

    Dielectric-barrier-discharge ionization is an ambient-ionization technique. Since its first description in 2007, it has attracted much attention in such fields as biological analysis, food safety, mass-spectrometry imaging, forensic identification, and reaction monitoring for its advantages, e.g., low energy consumption, solvent-free method, and easy miniaturization. In this review a brief introduction to dielectric barrier discharge is provided, and then a detailed introduction to the dielectric-barrier-discharge-ionization technique is given, including instrumentation, applications, and mechanistic studies. Based on the summary of reported work, possible future uses of this type of ionization source are discussed at the end. PMID:25510973

  19. Mathematical description and method of calculation of fluctuations in energy absorption in small volumes of material irradiated by ionizing particles

    SciTech Connect

    Lappa, A.V.

    1985-03-01

    This paper presents closed representations obtained for the density of the distribution and the moments of the absorbed energy in an isolated region of an irradiated absorber. For a broad class of problems, these quantities are expressed in terms of the differential flux densities of charged particles integrated over the angles and defined energy functions. This is dependent on the dimensions of the region and the material present there. The method of calculation deriving from the given representations is discussed.

  20. 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)

  1. Auger and radiative deexcitation of the 1s2l3l-prime configurations of lithium-like neon

    NASA Technical Reports Server (NTRS)

    Chen, M. H.

    1977-01-01

    X-ray energies, Auger and radiative decay rates, and fluorescence yields have been computed in intermediate coupling for the various states of the 1s2s3s, 1s2s3p, 1s2p3p, 1s2p3s, and 1s2p3d configurations of Ne-10(7+). The results supplement recent experimental work on these transitions.

  2. 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. PMID:26226061

  3. Dendron to central core S1-S1 and S2-S(n) (n>1) energy transfers in artificial special pairs containing dendrimers with limited numbers of conformations.

    PubMed

    Harvey, Pierre D; Brégier, Frédérique; Aly, Shawkat M; Szmytkowski, Jędrzej; Paige, Matthew F; Steer, Ronald P

    2013-03-25

    Two dendrimers consisting of a cofacial free-base bisporphyrin held by a biphenylene spacer and functionalized with 4-benzeneoxomethane (5-(4-benzene)tri-10,15,20-(4-n-octylbenzene)zinc(II)porphyrin) using either five or six of the six available meso-positions, have been synthesized and characterized as models for the antenna effect in Photosystems I and II. The presence of the short linkers, -CH2O-, and long C8H17 soluble side chains substantially reduces the number of conformers (foldamers) compared with classic dendrimers built with longer flexible chains. This simplification assists in their spectroscopic and photophysical analysis, notably with respect to fluorescence resonance energy transfer (FRET). Both steady-state and time-resolved spectroscopic measurements indicate that the cofacial free bases and the flanking zinc(II)-porphyrin antennas act as energy acceptor and donor, respectively, following excitation in either the Q or Soret bands of the dendrimers. The rate constants for singlet electronic energy transfer (k(EET)) extracted from the S1 and S2 fluorescence lifetimes of the donor in the presence and absence of the acceptor are ≤ (0.1-0.3)×10(9) and ∼2×10(9)  s(-1) for S1→S1 (range from a bi-exponential decay model) and about 1.5×10(12)  s(-1) for S2→S(n) (n>1). Comparisons of these experimental data with those calculated from Förster theory using orientation factors and donor-acceptor distances extracted from computer modeling suggest that a highly restricted number of the many foldamers facilitate energy transfer. These foldamers have the lowest energy by molecular modeling and consist of one or at most two of the flanking zinc porphyrin antennas folded so they lie near the central artificial special pair core with the remaining antennas located almost parallel to and far from it. PMID:23371815

  4. Collisional energy transfer probabilities of highly excited molecules from kinetically controlled selective ionization (KCSI). II. The collisional relaxation of toluene: P(E',E) and moments of energy transfer for energies up to 50 000 cm-1

    NASA Astrophysics Data System (ADS)

    Lenzer, Thomas; Luther, Klaus; Reihs, Karsten; Symonds, Andrew C.

    2000-03-01

    Complete and detailed experimental transition probability density functions P(E',E) have been determined for the first time for collisions between a large, highly vibrationally excited molecule, toluene, and several bath gases. This was achieved by applying the method of kinetically controlled selective ionization (KCSI) (Paper I [J. Chem. Phys. 112, 4076 (2000), preceding article]). An optimum P(E',E) representation is recommended (monoexponential with a parametric exponent in the argument) which uses only three parameters and features a smooth behavior of all parameters for the entire set of bath gases. In helium, argon, and CO2 the P(E',E) show relatively increased amplitudes in the wings—large energy gaps |E'-E|—which can also be represented by a biexponential form. The fractional contribution of the second exponent in these biexponentials, which is directly related to the fraction of the so-called "supercollisions," is found to be very small (<0.1%). For larger colliders the second term disappears completely and the wings of P(E',E) have an even smaller amplitude than that provided by a monoexponential form. At such low levels, the second exponent is therefore of practically no relevance for the overall energy relaxation rate. All optimized P(E',E) representations show a marked linear energetic dependence of the (weak) collision parameter α1(E), which also results in an (approximately) linear dependence of <ΔE> and of the square root of <ΔE2>. The energy transfer parameters presented in this study form a new benchmark class in certainty and accuracy, e.g., with only 2%-7% uncertainty for our <ΔE> data below 25 000 cm-1. They should also form a reliable testground for future trajectory calculations and theories describing collisional energy transfer of polyatomic molecules.

  5. 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.

  6. Two-Source Double-Slit Interference in Angle-Resolved High-Energy Above-Threshold Ionization Spectra of Diatoms

    SciTech Connect

    Okunishi, M.; Itaya, R.; Shimada, K.; Pruemper, G.; Ueda, K.; Busuladzic, M.; Gazibegovic-Busuladzic, A.; Milosevic, D. B.; Becker, W.

    2009-07-24

    When an electron from a diatomic molecule undergoes tunneling-rescattering ionization, a novel form of destructive interference can be realized that involves all four geometric orbits that are available to the electron when it is freed, because both ionization and rescattering may take place at the same or at different centers. We find experimentally and confirm theoretically that in orientation-averaged angle-resolved high-order above-threshold ionization spectra the corresponding destructive interference is visible for O{sub 2} but not for N{sub 2}. This effect is different from the suppression of ionization that is well known to occur for O{sub 2}.

  7. Microwave ionization of Rydberg atoms

    SciTech Connect

    Gallagher, T.F.

    1996-12-31

    An atom can be ionized by a static field if the field depresses the potential below the binding energy W, leading to the requirement E = W{sup 2}/4 in atomic units. The atomic units of field and energy are 5.14 {times} 10{sup 9} V/cm and 27.2 eV. The ionization field is often expressed in terms of the principal quantum number n of the state in question as E = 1/16n{sup 4}. In a microwave field with frequency far less than the separation {Delta}W = 1/n{sup 3} between adjacent n states, atoms other than H ionize at the much lower microwave field amplitude of E = 1/3n{sup 5}. This field corresponds to the Inglis-Teller limit, where it is impossible to resolve spectrally adjacent n states due to Stark broadening in a plasma. In H ionization occurs as it does in a static field. The difference exists because the finite sized ionic core of a non hydrogenic atom breaks one of the symmetries found in H. In non hydrogenic atoms the microwave field drives a series of transitions through successively higher n states culminating in ionization. These transitions can be understood in terms of a Landau-Zener picture based on the variation of the energies of the atoms produced by the time varying field or as the resonant multiphoton absorption of the microwave photons. In either case, the atoms make transitions through real intermediate states en route to ionization. With short, four cycle, microwave pulses complete ionization does not occur with fields of E = 1/3n{sup 5}, and population is left in intermediate states. The transition from ionization at fields near E = 1/3n{sup 5} to fields of E = 1/16n{sup 4} occurs when the frequency becomes low enough that the energies of the states vary adiabatically in the temporally varying field.

  8. Theoretical study of intermolecular energy transfer involving electronically excited molecules: He(/sup 1/S) + H/sub 2/(B /sup 1/. sigma. /sub u//sup +/). [Solution for coupled channel equations

    SciTech Connect

    Grimes, R.M.

    1986-11-01

    To further understanding of gas phase collision dynamics involving electronically-excited molecules, a fully quantum mechanical study of He + H/sub 2/(B /sup 1/..sigma../sub u//sup +/) was undertaken. Iterative natural orbital configuration interaction (CI) calculations were performed to obtain the interaction potential between He and H/sub 2/(B /sup 1/..sigma../sub u//sup +/). The potential energy surface (PES) is highly anisotropic and has a van der Waals well of about 0.03 eV for C/sub 2v/ approach. Avoided PES crossings occur with He + H/sub 2/(E,F /sup 1/..sigma../sub g//sup +/) and with He + H/sub 2/(X /sup 1/..sigma../sub g//sup +/) and cause a local maximum and a deep minimum in the He + H/sub 2/(B /sup 1/..sigma../sub u//sup +/) PES, respectively. The crossing with He + H/sub 2/(X /sup 1/..sigma../sub g//sup +/) provides a mechanism for fluorescence quenching. The computed CI energies were combined with previous multi-reference double excitation CI calculations and fit with analytic functions for convenience in scattering calculations. Accurate dipole polarizabilities and quadrupole moment of H/sub 2/(B /sup 1/..sigma../sub u//sup +/) were computed for use in the multipole expansion, which is the analytic form of the long-range PES. 129 refs., 28 figs., 35 tabs.

  9. 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.

  10. 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

  11. 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.

  12. 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.

  13. C1s and O1s gas phase shake-up spectra from Mo(CO) 6

    NASA Astrophysics Data System (ADS)

    Bustad, J.; Enkvist, C.; Lunell, S.; Tillborg, H.; Nilsson, A.; Osborne, S.; Sandell, A.; Mårtensson, N.; Svensson, S.

    1994-02-01

    Experimental high-resolution core photoelectron C1s and O1s shake-up spectra of molybdenum hexacarbonyl, MO(CO) 6, are reported and compared with results of semiempirical INDO/CI calculations. Several hitherto unobserved peaks are identified and assigned. It is found that an intra- and inter-group classification can be used to describe the transitions. The transitions of lowest energy have Mo-CO inter-group character. Dynamical effects on the line widths of the experimental shake-up peaks are discussed. A discussion of the relevance of experimental results obtained for the MO(CO) 6 molecule for CO adsorption on metal surfaces is presented.

  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. Two-step single-ionization mechanisms

    SciTech Connect

    Boeyen, R. W. van; Doering, J. P.; Watanabe, N.; Cooper, J. W.; Coplan, M. A.; Moore, J. H.

    2006-03-15

    In a recent publication [Phys. Rev. Lett. 92, 233202 (2004)] two different electron impact double ionization (e,3e) mechanisms were identified and the way in which two-electron momentum distributions for atoms and molecules could be obtained by triple coincidence (e,3e) measurements was discussed. The apparatus used detected the two ejected electrons both in and out of the scattering plane at an angle of 45 deg. to the momentum transfer direction in triple coincidence with the scattered electron. Ejected electrons detected out of the scattering plane were shown to be a result of two-step double ionization processes. With the same apparatus we have made double coincidence (e,2e) measurements of electron impact single ionization cross sections for ionization of magnesium 3s (valence) and 2p and 2s (inner) shell electrons at incident energies from 400 to 3000 eV in order to obtain more information about two-step ionization. The experimental results were compared with distorted-wave and plane-wave Born approximations carried out to second order. For the experimental conditions, two-step ionization processes involving one ionizing collision and a second elastic collision with the atomic core are the dominant contribution to the measured cross sections. Calculations are in moderate agreement with the data. The angular distributions of the ionized electrons in these two-step ionizations reflect the initial momentum distributions of the target electrons, a result that is analogous with the earlier (e,3e) measurements.

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

    NASA Astrophysics Data System (ADS)

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

    2009-02-01

    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 NK and kQ 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.

  17. 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. PMID:19168939

  18. Effect of Electron Reflection at the Anode on Ionization Coefficient

    NASA Astrophysics Data System (ADS)

    Takeda, Akihide; Ikuta, Nobuaki

    2001-10-01

    The ionization coefficient α is determined with the gradient of log I(I:ionization current) versus gap length d assuming the energy equilibrium over full gap space. However, the equilibrium in full space is difficult as well known. The α values in H2 reported by Haydon[1] and Satoh[2] show sudden breaking of increase with increase of reduced electric field E/p0 at less than 200 Vcm-1Torr. The relaxation of electron energy distribution in H2 is much slower than that in other gases due to the low values of inelastic cross sections in particular in high-energy range, accordingly in high E/p0 condition. Hayashi pointed out[3,4] that the breaking is due to the runaway of electrons. Many electrons are lost from the anode without sufficient ionization collisions with H_2. In such a situation, it is found that the electron reflection at the anode, the ratio is considerably large in practice, gives large increase in the measured values of α d. The effect of reflection on the values of α d in H2 with the change of E/p0 and p_0d will be reported. [1]S. C. Haydon and H. M. Stock: Aust. J. Phys. 24 pp.527-42(1966). [2]K. Satoh, T. Kudoh, T. Miki, M. Kawashima, H. Itoh and H. Tagashira: T. IEEE Jpn. 119-A pp.1136-41(1999) [3]M. Hayashi, M. Ohoka and A. Miwa: 18th ICPIG pp.14-15(1987) [4]M. Hayashi: 4th ICDG Vol.1 pp.195-198(1976)

  19. 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.

  20. 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.

  1. Electron transfer, ionization, and excitation in collisions between protons and the ions N6+ and O7+

    NASA Astrophysics Data System (ADS)

    Winter, Thomas

    2016-05-01

    Coupled-state cross sections are being determined for electron transfer, ionization, and excitation in collisions between keV-energy protons and the hydrogenic ions N6+ and O7+, extending early and more recent work on the less highly charged target ions He+, Li2+, Be3+, B4+, and C5+. As in the more recent work, a basis of 60 Sturmians on each center is being used, and in a second calculation, a basis of 280 Sturmians on the target nucleus and a single 1 s function on the proton is being used. The extent to which high-energy scaling rules with target nuclear charge Z are valid is being examined further for transfer to the ground state, total transfer, and ionization, as well as for excitation and individual-state processes at intermediate energies near where the cross sections peak.

  2. 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.

  3. Characterization of the X~ 2A1 (0,0,0) ground vibronic state of CH2+ by pulsed-field-ionization zero-kinetic-energy photoelectron spectroscopy

    NASA Astrophysics Data System (ADS)

    Willitsch, S.; Merkt, F.

    2003-02-01

    The rotational structure of the X˜ 2A1 (0,0,0) ground vibronic state of CH2+ has been observed by pulsed-field-ionization zero-kinetic-energy (PFI-ZEKE) photoelectron spectroscopy. Rotational levels with asymmetric top rotational quantum numbers N+⩽5 and Ka+⩽2 have been used to derive a purely experimental r0 structure [rCH=(1.1049±0.0041) Å, αHCH=(139.77±0.27) degrees]. Whereas the positions of the Ka+=0 and 1 levels are in good agreement with previous results, the positions of the Ka+=2 levels, which are observed for the first time, suggest that the theoretical description of the bending potential and of the Renner-Teller effect in CH2+ could still be refined. The single photon photoionization dynamics of the CH2 X˜3B1 ground state is also consistent with a bent geometry for the ground state of CH2+. First PFI-ZEKE photoelectron spectra of CD2 are also presented.

  4. Structural determination of glycosphingolipids as lithiated adducts by electrospray ionization mass spectrometry using low-energy collisional-activated dissociation on a triple stage quadrupole instrument.

    PubMed

    Hsu, F F; Turk, J

    2001-01-01

    Structural characterization of glycosphingolipids as their lithiated adducts using low-energy collisional-activated dissociation (CAD) tandem mass spectrometry with electrospray ionization (ESI) is described. The tandem mass spectra contain abundant fragment ions reflecting the long chain base (LCB), fatty acid, and the sugar constituent of the molecule and permit unequivocal identification of cerebrosides, di-, trihexosyl ceramides and globosides. The major fragmentation pathways arise from loss of the sugar moiety to yield a lithiated ceramide ion, which undergoes further fragmentation to form multiple fragment ions that confirm the structures of the fatty acid and LCB. The mechanisms for the ion formation and the possible configuration of the fragment ions, resulting from CAD of the lithiated molecular ions ([M + Li]+) of monoglycosylceramides are proposed. The mechanisms were supported by CAD and source CAD tandem mass spectra of various cerebrosides and of their analogous molecules prepared by H-D exchange. Constant neutral loss and precursor ion scannings to identify galactosylceramides with sphingosine or sphinganine LCB subclasses, and with specific N-2-hydroxyl fatty acid subclass in mixtures are also demonstrated. PMID:11142362

  5. Basis set limit electronic excitation energies, ionization potentials, and electron affinities for the 3d transition metal atoms: Coupled cluster and multireference methods

    NASA Astrophysics Data System (ADS)

    Balabanov, Nikolai B.; Peterson, Kirk A.

    2006-08-01

    Recently developed correlation consistent basis sets for the first row transition metal elements Sc-Zn have been utilized to determine complete basis set (CBS) scalar relativistic electron affinities, ionization potentials, and 4s23dn -2-4s1dn -1 electronic excitation energies with single reference coupled cluster methods [CCSD(T), CCSDT, and CCSDTQ] and multireference configuration interaction with three reference spaces: 3d4s, 3d4s4p, and 3d4s4p3d'. The theoretical values calculated with the highest order coupled cluster techniques at the CBS limit, including extrapolations to full configuration interaction, are well within 1kcal/mol of the corresponding experimental data. For the early transition metal elements (Sc-Mn) the internally contracted multireference averaged coupled pair functional method yielded excellent agreement with experiment; however, the atomic properties for the late transition metals (Mn-Zn) proved to be much more difficult to describe with this level of theory, even with the largest reference function of the present work.

  6. 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.

  7. Ambient Ionization Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Huang, Min-Zong; Yuan, Cheng-Hui; Cheng, Sy-Chyi; Cho, Yi-Tzu; Shiea, Jentaie

    2010-07-01

    Mass spectrometric ionization methods that operate under ambient conditions and require minimal or no sample pretreatment have attracted much attention in such fields as biomedicine, food safety, antiterrorism, pharmaceuticals, and environmental pollution. These technologies usually involve separate ionization and sample-introduction events, allowing independent control over each set of conditions. Ionization is typically performed under ambient conditions through use of existing electrospray ionization (ESI) or atmospheric pressure chemical ionization (APCI) techniques. Rapid analyses of gas, liquid, and solid samples are possible with the adoption of various sample-introduction methods. This review sorts different ambient ionization techniques into two main subcategories, primarily on the basis of the ionization processes, that are further differentiated in terms of the approach used for sampling.

  8. Physics of Partially Ionized Plasmas

    NASA Astrophysics Data System (ADS)

    Krishan, Vinod

    2016-05-01

    Figures; Preface; 1. Partially ionized plasmas here and everywhere; 2. Multifluid description of partially ionized plasmas; 3. Equilibrium of partially ionized plasmas; 4. Waves in partially ionized plasmas; 5. Advanced topics in partially ionized plasmas; 6. Research problems in partially ionized plasmas; Supplementary matter; Index.

  9. A multiwavelength study of the Magellanic-type galaxy NGC 4449 - I. Modelling the spectral energy distribution, the ionization structure and the star formation history

    NASA Astrophysics Data System (ADS)

    Karczewski, O. Ł.; Barlow, M. J.; Page, M. J.; Kuin, N. P. M.; Ferreras, I.; Baes, M.; Bendo, G. J.; Boselli, A.; Cooray, A.; Cormier, D.; De Looze, I.; Galametz, M.; Galliano, F.; Lebouteiller, V.; Madden, S. C.; Pohlen, M.; Rémy-Ruyer, A.; Smith, M. W. L.; Spinoglio, L.

    2013-05-01

    We present an integrated photometric spectral energy distribution (SED) of the Magellanic-type galaxy NGC 4449 from the far-ultraviolet (UV) to the submillimetre, including new observations acquired by the Herschel Space Observatory. We include integrated UV photometry from the Swift Ultraviolet and Optical Telescope using a measurement technique which is appropriate for extended sources with coincidence loss. In this paper, we examine the available multiwavelength data to infer a range of ages, metallicities and star formation rates for the underlying stellar populations, as well as the composition and the total mass of dust in NGC 4449. Our analysis of the global optical spectrum of NGC 4449 fitted using the spectral fitting code STARLIGHT suggests that the majority of stellar mass resides in old (≳1 Gyr old) and metal-poor (Z/Z⊙ ˜ 0.2) populations, with the first onset of star formation activity deduced to have taken place at an early epoch, approximately 12 Gyr ago. A simple chemical evolution model, suitable for a galaxy continuously forming stars, suggests a ratio of carbon to silicate dust mass comparable to that of the Large Magellanic Cloud over the inferred time-scales. We present an iterative scheme, which allows us to build an in-depth and multicomponent representation of NGC 4449 `bottom-up', taking advantage of the broad capabilities of the photoionization and radiative transfer code MOCASSIN (MOnte CArlo SimulationS of Ionized Nebulae). We fit the observed SED, the global ionization structure and the emission line intensities, and infer a recent star formation rate of 0.4 M⊙ yr- 1 and a total stellar mass of ≈ 1 × 109 M⊙ emitting with a bolometric luminosity of 5.7 × 109 L⊙. Our fits yield a total dust mass of 2.9 ± 0.5 × 106 M⊙ including 2 per cent attributed to polycyclic aromatic hydrocarbons. We deduce a dust to gas mass ratio of 1/190 within the modelled region. While we do not consider possible additional contributions from

  10. Response of liquid xenon to low-energy ionizing radiation and its use in the XENON10 dark matter search

    NASA Astrophysics Data System (ADS)

    Manalaysay, Aaron Gosta

    This dissertation focuses on developments aimed at improving the effectiveness and understanding of liquid xenon particle detectors in their use in the field of dark matter direct detection. Chapter 3 covers the XENON10 experiment, which searches for evidence of direct interactions between Weakly Interacting Massive Particles (WIMPs) and Xe nuclei. The 3-D position sensitive liquid xenon time projection chamber acquired 58.6 live days of WIMP search data from October, 2006 through February, 2007. The results of these data set new limits on both spin-independent and spin-dependent interactions. The spin-independent WIMP-nucleon cross section is constrained to be less than 4.5 x 10-44 cm2 for WIMPs of mass 30 GeV/ c2 and less than 8.8 x 10-44 cm2 for WIMPs of mass 100 GeV/c2 at the 90% confidence level. The spin-dependent WIMP-neutron and WIMP-proton cross sections are constrained to be less than 10-39 cm 2 and 10-36 cm2, respectively. Finally, the mass of the heavy Majorana neutrino, in the context of a dark matter candidate, is excluded for masses in the range 10 GeV/c2 to 2.2TeV/c2. Chapter 4 discusses the study of the relative scintillation efficiency of nuclear recoils in liquid xenon. The two existing measurements of the relative scintillation efficiency of nuclear recoils below 20 keV lead to inconsistent extrapolations at lower energies. This results in a different energy scale and thus sensitivity reach of liquid xenon dark matter detectors. A new measurement of the relative scintillation efficiency below 10 keV, performed with a liquid xenon scintillation detector and optimized for maximum light collection is discussed. Greater than 95% of the interior surface of this detector was instrumented with photomultiplier tubes, giving a scintillation yield of 19.6 photoelectrons/keV electron equivalent for 122 keV gamma rays. The relative scintillation efficiency for nuclear recoils of 5 keV is found to be 0.14, staying constant around this value up to 10 keV. For

  11. Lucky drift impact ionization in amorphous semiconductors

    NASA Astrophysics Data System (ADS)

    Kasap, Safa; Rowlands, J. A.; Baranovskii, S. D.; Tanioka, Kenkichi

    2004-08-01

    The review of avalanche multiplication experiments clearly confirms the existence of the impact ionization effect in this class of semiconductors. The semilogarithmic plot of the impact ionization coefficient (α) versus the reciprocal field (1/F) for holes in a-Se and electrons in a-Se and a-Si :H places the avalanche multiplication phenomena in amorphous semiconductors at much higher fields than those typically reported for crystalline semiconductors with comparable bandgaps. Furthermore, in contrast to well established concepts for crystalline semiconductors, the impact ionization coefficient in a-Se increases with increasing temperature. The McKenzie and Burt [S. McKenzie and M. G. Burt, J. Phys. C 19, 1959 (1986)] version of Ridley's lucky drift (LD) model [B. K. Ridley, J. Phys. C 16, 3373 (1988)] has been applied to impact ionization coefficient versus field data for holes and electrons in a-Se and electrons in a-Si :H. We have extracted the electron impact ionization coefficient versus field (αe vs F) data for a-Si :H from the multiplication versus F and photocurrent versus F data recently reported by M. Akiyama, M. Hanada, H. Takao, K. Sawada, and M. Ishida, Jpn. J. Appl. Phys.41, 2552 (2002). Provided that one accepts the basic assumption of the Ridley LD model that the momentum relaxation rate is faster than the energy relaxation rate, the model can satisfactorily account for impact ionization in amorphous semiconductors even with ionizing excitation across the bandgap, EI=Eg. If λ is the mean free path associated with momentum relaxing collisions and λE is the energy relaxation length associated with energy relaxing collisions, than the LD model requires λE>λ. The application of the LD model with energy and field independent λE to a-Se leads to ionization threshold energies EI that are quite small, less than Eg/2, and requires the possible but improbable ionization of localized states. By making λE=λE(E ,F) energy and field dependent, we were

  12. Comment on: MALDI ionization mechanisms investigated by comparison of isomers of dihydroxybenzoic acid.

    PubMed

    Chen, Jien-Lian; Ni, Chi-Kung

    2016-06-01

    Ionization mechanism of matrix-assisted laser desorption/ionization was recently investigated by Kirmess et al. (J. Mass Spectrom. 2016, 51, 79). The authors compared the ion yields of dihydroxybenzoic acid isomers between experimental measurements and theoretical models and claimed that the predictions of chemical and physical dynamics model are in good agreement with experimental data, but the predictions of thermal model are not. Here, we show that wrong S1-S1 energy pooling rate constants and absorption cross sections were used in the aforementioned article. In addition, we suggest the authors to list the values of many parameters used in their calculations and describe how they obtained these values because these values are completely unknown. PMID:27270870

  13. Strong-field dissociative ionization of a linear triatomic molecule: Relationship between Coulomb-explosion energies and bond angle

    SciTech Connect

    Zhao, K.; Zhang, G.; Hill, W.T. III

    2003-12-01

    Correlation images of the symmetric six-electron Coulomb-explosion channel of CO{sub 2} were used to isolate specific geometries (linear and bent) for angular-resolved analysis of the Coulomb-explosion energy in the framework of both the critical radius R{sub c} and dynamic screening models. We show that it is possible to connect the R{sub c} and screening pictures through a single parameter, a charge defect {sigma}, which depends on the charge state and the ratio between R{sub c} and the equilibrium bond length. Our data show that R{sub c} and hence {sigma} are slow varying functions of bond angle between 145 deg. and 180 deg. with R{sub c}{approx}4 a.u. and {sigma}{approx}0.5 for the symmetric six-electron channel of CO{sub 2}. In the R{sub c} picture, the experimental value for R{sub c} is consistent with a theoretical value associated with CO{sub 2}{sup 3+}, which is considerably smaller than that associated with CO{sub 2}{sup +}({approx}6 a.u.)

  14. Inner-orbital ionization of iodine

    NASA Astrophysics Data System (ADS)

    Gibson, George; Smith, Dale; Tagliamonti, Vincent; Dragan, James

    2016-05-01

    Many coincidence techniques exist to study multiple ionization of molecules by strong laser fields. However, the first ionization step is critical in many experiments, although it is more difficult to obtain information about this initial step. We studied the single electron ionization of I2, as it presents interesting opportunities in that it is heavy and does not expand significantly during the laser pulse. Moreover, there are several distinct low-lying valence orbitals from which the electron may be removed. Most importantly, the kinetic energy release of the I+ + I dissociation channel can be measured and should correspond to well-known valence levels and separated atom limits. As it turns out, we must invoke deep valence orbits, built from the 5s electrons, to explain our data. Ionization from deep orbitals may be possible, as they have a smaller critical internuclear separation for enhanced ionization. We would like to acknowledge support from the NSF under Grant No. PHY-1306845.

  15. 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.

  16. 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

  17. Effect of fluoro substitution on the fragmentation of the K-shell excited/ionized pyridine studied by electron impact.

    PubMed

    Sakai, Masamichi; Okada, Kazumasa

    2011-07-01

    Fragmentation of the pyridine ring followed by K-shell excitation/ionization has been studied with 2-fluoropyridine (2FPy) by electron impact. Ab initio molecular orbital (MO) calculations were also carried out to investigate the electronic states correlating with specific fragment ions. The fragment ions are produced characteristically at the N 1s edge, while the spectra observed at the F 1s and C 1s edges exhibit a small difference from that at the valence ionization. The production of the C(4)H(2)(+), C(4)H(3)(+) and C(4)H(2)F(+) ions indicates that the cleavage of the N-C6 and C2-C3 bonds or the N-C2 and C5-C6 bonds is likely to occur after the N 1s excitation/ionization. Ab initio MO calculations indicate that the former fission is likely to proceed through the n(N)(1)π(2)(1)π(3)(2) and n(N)(0)π(2)(2)π(3)(2) excited states of the parent molecular dication. On the other hand, the breakage of the N-C2 and C4-C5 bonds, which specifically proceeds at the N 1s edge for 2-methylpyridine, does not occur for 2FPy. The present calculation reveals that the products of this channel are unstable by the electronegativity of fluorine and that the relative energy of the Auger-final states of 2FPy is lowered by the reorganization and electron correlation effects. PMID:21744416

  18. 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.

  19. Thermochromic behaviors and ionization potentials of organopolysilanes

    NASA Astrophysics Data System (ADS)

    Yokoyama, Kenji; Yokoyama, Masaaki

    1989-04-01

    Ionization potentials of organopolysilanes with different kinds of substituents were evaluated from the low energy photo-electron emission measurements in air. An aryl-substituted organopolysilane capable of σ - π mixing between Si backbone σ and side-group π electrons gave smaller ionization potential by about 0.1˜0.15 eV compared with alkyl-substituted organopolysilanes. The value of ionization potentials in some alkyl-substituted organopolysilanes which showed thermochromic behaviors was found to vary substantially with thermally induced reversible changes in polymer backbone conformation, indicating that the effective conjugation length of σ electrons decreases above the thermochromic transition temperature.

  20. 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.

  1. Photoionization of atomic chlorine above the 1S threshold

    NASA Astrophysics Data System (ADS)

    Shahabi, Siamak; Starace, Anthony F.; Chang, T. N.

    1984-10-01

    The total photoionization cross section of the 3p subshell of atomic chlorine is presented with use of the recently developed open-shell transition-matrix method of Starace and Shahabi. The role of electron correlations is studied by comparison with Hartree-Fock and close-coupling calculations. In contrast to 3p-subshell photoionization of argon, it is shown that, in chlorine, final-state interchannel interactions are very strong while virtual pair excitations have a weak effect on the shape of the cross section, serving mainly to reduce the discrepancy between length and velocity results. Our results are compared in detail with other theoretical results above the 1S threshold as well as with experimental relative-intensity measurements at 584 Å. While our results are lower than the others at the 1S threshold (ℏω=0.6 a.u.), at photon energies ℏω>1 a.u., our geometric mean cross section is in essentially exact agreement with unrelaxed ionic core results of Brown, Carter, and Kelly and of Fielder and Armstrong.

  2. 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. PMID:11801009

  3. Quenching and restoring of the A {sup 2}{pi} cationic state in resonant Auger electron spectra of CO in the vicinity of the O 1s{yields}2{pi} resonance

    SciTech Connect

    Feifel, R.; Tanaka, T.; Hoshino, M.; Tanaka, H.; Tamenori, Y.; Carravetta, V.; Ueda, K.

    2006-12-15

    The evolution of the vibrational intensity distribution of the singly ionized A {sup 2}{pi} state in CO is experimentally examined for photon energy detunings below the adiabatic 0-0 transition of the O 1s{yields}2{pi} resonance. We have found a strong suppression of the entire vibrational fine structure of this state, leading to its almost complete quenching for certain excitation energies, followed by a partial restoring for larger values of negative photon energy detuning. Our observation, that cannot be rationalized by the known model of a vibrational collapse for energy detuning, may be explained in terms of a Fano interference between the direct and resonant photoionization channels in the presence of strong lifetime vibrational interference.

  4. Two-photon ionization thresholds of matrix-assisted laser desorption/ionization matrix clusters.

    PubMed

    Lin, Q; Knochenmuss, R

    2001-01-01

    Direct two-photon ionization of the matrix has been considered a likely primary ionization mechanism in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry. This mechanism requires that the vertical ionization threshold of matrix materials be below twice the laser photon energy. Because dimers and larger aggregates may be numerous in the early stages of the MALDI plume expansion, their ionization thresholds are important as well. We have used two-color two-photon ionization to determine the ionization thresholds of jet cooled clusters of an important matrix, 2,5-dihydroxy benzoic acid (DHB), and mixed clusters with the thermal decomposition product of DHB, hydroquinone. The thresholds of the clusters were reduced by only a few tenths of an eV compared to the monomers, to an apparent limit of 7.82 eV for pure DHB clusters. None of the investigated clusters can be directly ionized by two nitrogen laser photons (7.36 eV), and the ionization efficiency at the thresholds is low. PMID:11507754

  5. Photodissociation of methyl iodide at 229. 4 nm: A determination of the fragment recoil anisotropy using energy-selective electron impact ionization and time-of-flight mass spectrometry

    SciTech Connect

    Penn, S.M.; Hayden, C.C.; Carlson Muyskens, K.J.; Crim, F.F.

    1988-09-01

    Energy-selective electron impact ionization of laser-produced photofragments together with time-of-flight mass spectrometry is a general and sensitive means of studying primary photodissociation processes. Low-energy electrons ionize photofragments without the production of background fragment ions from dissociative ionization of the parent molecules, and the time-of-flight mass spectral peak shapes provide direct information on the photofragment recoil anisotropy. In the first application of this combination of techniques, we have studied the photodissociation of methyl iodide at 229.4 nm, the short-wavelength end of the A band, in order to assess the contribution of transitions to the /sup 1/Q/sub 1/ state to the absorption profile. The results presented here show that I(/sup 2/P/sub 1//sub ///sub 2/) is the primary iodine--atom product and that the transition is largely parallel (..beta.. = (1.6 +- 0.1) for I(/sup 2/P/sub 1//sub ///sub 2/)) at 229.4 nm. These data together with previous photofragmentation results suggest that excitation to the /sup 3/Q/sub 0/ state dominates the entire A band absorption profile.

  6. MH 2+ṡ ion production from protonated polypeptides by electron impact: observation and determination of ionization energies and a cross-section

    NASA Astrophysics Data System (ADS)

    Budnik, Bogdan A.; Zubarev, Roman A.

    2000-01-01

    Irradiation of gas-phase MH + ions of polypeptides up to MW 3493 by 11 to 70 eV electrons produced further ionization: MH ++e -→MH 2+·+2 e -, with ionization thresholds of 11.4±0.5 eV for [Arg-8]-vasopressin (MW 1084), 10.7±0.5 eV for substance P (MW 1347), 11.4±0.6 eV for renin substrate (MW 1759) and 10.6±0.4 eV for melittin (MW 2846). The ionization cross-section of vasopressin MH + ions was found to be (1.3±0.4)·10 -15 cm 2 for 20 eV electrons. The gas-phase MH 2+ṡ ions are rather stable at room temperature, with lifetimes of hundreds of seconds at 10 -10 Torr.

  7. Ionization energy of Cl{sub 2}O and ClO, appearance energy ofClO{sup +} (Cl{sub 2}O), and heat of formation of Cl{sub 2}O

    SciTech Connect

    Thorn, R.P. Jr.; Stief, L.J.

    1996-08-15

    The photoionization efficiency (PIE) spectrum of Cl{sub 2}O wasmeasured over the wavelength range {lambda} = 98-117 nm by using adischarge flow-photoionization mass spectrometer apparatus coupled to asynchrotron radiation source. A value of 10.90{sub 9}{+-}0.01{sub 6} eV wasobtained for the adiabatic ionization energy (IE) of Cl{sub 2}O fromanalysis of the photoionization thresholds. The ClO radical was producedvia the reaction F + Cl{sub 2}O {yields} FCl + ClO and the PIE spectrum of ClO was measured over the wavelength range {lambda} = 105-117 nm. Analysis of the photoionization threshold yields a value of IE ofClO X{sup 2}{Pi}{sub 3/2} = 10.88{sub 5}{+-}0.01{sub 6} eV. The appearanceenergy (AE) of ClO{sup +} from the dissociative ionization of Cl{sub 2}O was determined from the PIE spectrum of ClO{sup +} over the wavelength range {lambda} = 98-104 nm. Combining the AE{sub 298} value, 12.29{sub 6}{+-}0.03{sub 2} eV, with known thermodynamic quantities yieldsa value for {Delta}{sub f}H{degree}{sub 298}(Cl{sub 2}O) = 77.2{+-}3.4kJmol{sub -1}. From the value for {Delta}{sub f}H{degree}{sub 298}(Cl{sub 2}O) and the equilibrium constant for the reaction Cl{sub 2}O + H{sub 2}O 2HOCl, a value for {Delta}{sub f}H{degree}{sub 298-}(HOCl) = -76.8{+-}3.5 kJ mol{sup -1} is obtained. 48 refs., 5 figs., 1 tab.

  8. Unraveling oxyntomodulin, GLP1's enigmatic brother

    PubMed Central

    Pocai, Alessandro

    2012-01-01

    Oxyntomodulin (OXM) is a peptide secreted from the L cells of the gut following nutrient ingestion. OXM is a dual agonist of the glucagon-like peptide-1 receptor (GLP1R) and the glucagon receptor (GCGR) combining the effects of GLP1 and glucagon to act as a potentially more effective treatment for obesity than GLP1R agonists. Injections of OXM in humans cause a significant reduction in weight and appetite, as well as an increase in energy expenditure. Activation of GCGR is classically associated with an elevation in glucose levels, which would be deleterious in patients with T2DM, but the antidiabetic properties of GLP1R agonism would be expected to counteract this effect. Indeed, OXM administration improved glucose tolerance in diet-induced obese mice. Thus, dual agonists of the GCGR and GLP1R represent a new therapeutic approach for diabetes and obesity with the potential for enhanced weight loss and improvement in glycemic control beyond those of GLP1R agonists. PMID:23019069

  9. Ionization coefficients in gas mixtures

    NASA Astrophysics Data System (ADS)

    Marić, D.; Šašić, O.; Jovanović, J.; Radmilović-Rađenović, M.; Petrović, Z. Lj.

    2007-03-01

    We have tested the application of the common E/N ( E—electric field, N—gas number density) or Wieland approximation [Van Brunt, R.J., 1987. Common parametrizations of electron transport, collision cross section, and dielectric strength data for binary gas mixtures. J. Appl. Phys. 61 (5), 1773-1787.] and the common mean energy (CME) combination of the data for pure gases to obtain ionization coefficients for mixtures. Test calculations were made for Ar-CH4, Ar-N2, He-Xe and CH4-N2 mixtures. Standard combination procedure gives poor results in general, due to the fact that the electron energy distribution is considerably different in mixtures and in individual gases at the same values of E/N. The CME method may be used for mixtures of gases with ionization coefficients that do not differ by more than two orders of magnitude which is better than any other technique that was proposed [Marić, D., Radmilović-Rađenović, M., Petrović, Z.Lj., 2005. On parametrization and mixture laws for electron ionization coefficients. Eur. Phys. J. D 35, 313-321.].

  10. 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 Central

    Moeller, Ralf; Setlow, Peter; Horneck, Gerda; Berger, Thomas; Reitz, Günther; Rettberg, Petra; Doherty, Aidan J.; Okayasu, Ryuichi; Nicholson, Wayne L.

    2008-01-01

    The role of DNA repair by nonhomologous end joining (NHEJ), homologous recombination, spore photoproduct lyase, and DNA polymerase I and genome protection via α/β-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 α/β-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 α/β-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. PMID:18055591

  11. Laser ionization mass spectroscopy

    NASA Astrophysics Data System (ADS)

    Bernardez, Luis J., III; Siekhaus, W. J.

    1989-10-01

    Laser Ionization Mass Spectroscopy (LIMS) is a simple technique with several advantages and disadvantages over standard mass spectroscopy techniques. The LIMS technique uses a laser to vaporize a small portion of a sample. The vapor from the sample consists of a mixture of charged and neutral atoms or fragments. Using electrostatic grids, the ions (positive or negative) are given a known amount of kinetic energy and sent down a time-of-flight tube. The time it takes the ions to travel down the flight tube is recorded. Knowing the ions' energy, the length of the flight tube, and the time it takes the ions to travel that distance, the masses of the ions can be calculated. The instrument used is a LIMA 3 made by Cambridge Mass Spectrometry. It has a Quanta Ray DCR-11 Nd:YAG laser, which was frequency-quadrupled to 266 nm. The laser spot size is typically between 2 and 5 microns in diameter and the pulse width is between 5 and 10 nanoseconds. The energy of the laser is continually variable between 0.1 and 3.0 millijoules. The detector is a 17-stage venetian-blind multiplier made by Thorn EMI. The analysis is carried out under vacuum, usually between 10(exp -8) and 10(exp -9) Torr. The LIMA 3 has several useful features such as: a He-Ne pilot laser used to target the Nd:YAG laser; a microscope (which is used to view the sample through the laser optics); and a precision sample stage for accurate sample alignment.

  12. Laser ionization mass spectroscopy

    SciTech Connect

    Bernardez, L.J. III; Siekhaus, W.J. )

    1989-10-01

    Laser Ionization Mass Spectroscopy (LIMS) is a simple technique with several advantages and disadvantages over standard mass spectroscopy techniques. The LIMS technique uses a laser to vaporize a small portion of a sample. The vapor from the sample consists of a mixture of charged and neutral atoms or fragments. Using electrostatic grids, the ions (positive or negative) are given a known amount of kinetic energy and sent down a time-of-flight tube. The time it takes the ions to travel down the flight tube is recorded. Knowing the ions' energy, the length of the flight tube, and the time it takes the ions to travel that distance, the masses of the ions can be calculated. The instrument we use is a LIMA 3 made by Cambridge Mass Spectrometry. It has a Quanta Ray DCR-11 Nd:YAG laser, which we frequency-quadruple to 266 nm. The laser spot size is typically between 2 and 5 microns in diameter and the pulse width is between 5 and 10 nanoseconds. The energy of the laser is continually variable between 0.1 and 3.0 millijoules. The detector is a 17-stage venetian-blind multiplier made by Thorn EMI. The analysis is carried out under vacuum, usually between 10{sup {minus}8} and 10{sup {minus}9} Torr. The LIMA 3 has several useful features such as: a He-Ne pilot laser used to target the Nd:YAG laser; a microscope (which is used to view the sample through the laser optics); and a precision sample stage for accurate sample alignment. 6 figs., 1 tab.

  13. 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.

  14. Pulsed field-ionization photoelectron-photoion coincidence study of the process N{sub 2}+h{nu}{yields}N{sup +}+N+e{sup -}: Bond dissociation energies of N{sub 2} and N{sub 2}{sup +}

    SciTech Connect

    Tang Xiaonan; Hou Yu; Ng, C.Y.; Ruscic, Branko

    2005-08-15

    We have examined the dissociative photoionization reaction N{sub 2}+h{nu}{yields}N{sup +}+N+e{sup -} near its threshold using the pulsed field-ionization photoelectron-photoion coincidence (PFI-PEPICO) time-of-flight (TOF) method. By examining the kinetic-energy release based on the simulation of the N{sup +} PFI-PEPICO TOF peak profile as a function of vacuum ultraviolet photon energy and by analyzing the breakdown curves of N{sup +} and N{sub 2}{sup +}, we have determined the 0-K threshold or appearance energy (AE) of this reaction to be 24.2884{+-}0.0010 eV. Using this 0-K AE, together with known ionization energies of N and N{sub 2}, results in more precise values for the 0-K bond dissociation energies of N-N (9.7543{+-}0.0010 eV) and N-N{sup +} (8.7076{+-}0.0010 eV) and the 0-K heats of formation for N (112.469{+-}0.012 kcal/mol) and N{sup +} (447.634{+-}0.012 kcal/mol)

  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. Two-photon double ionization of atomic beryllium by ultrashort laser pulses

    NASA Astrophysics Data System (ADS)

    Yip, Frank L.; Palacios, Alicia; Martin, Fernando; Rescigno, Thomas N.; McCurdy, C. William

    2014-05-01

    A time-dependent formalism for evaluating ionization amplitudes and generalized cross sections for two-electron atoms previously used to study the correlated electron dynamics of helium under ultrashort laser pulses is adapted to study similar processes involving the 2s2 valence shell of atomic beryllium in the presence of a fully-occupied 1s2 core shell. The similar symmetry of the overall process in two-photon double ionization permits a direct comparison between Be and He atoms, revealing details about the nature of electron correlation within these two atoms whose impact is manifest in the continuum electron dynamics. In particular, consequences of the different shell structures of the initial states for He and Be are prominent when considering sequential double ionization processes. Work supported by the US Dept. of Energy, Office of Basic Energy Sciences, Chemical Sciences Contract DE-AC02-05CH11231, by the MICINN Projects No. FIS2010-15127 and ERC Advanced Grant 290853.

  17. 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.

  18. Optical emissions and ionization profiles during an intense pulsating aurora

    SciTech Connect

    Sears, R.D.; Vondrak, R.R.

    1981-08-01

    Coordinated spectrophotometric and incoherent scatter radar measurements were made of an intense early-morning pulsating aurora at Chatanika, Alaska. Both instruments were operated simultaneously with temporal resolution of 1 s and were boresighted at geomagnetic zenith. The goals of the collaborative experimental were to determine the total energy flux E/sub t/ and the characteristic energy parameter ..cap alpha.. of the precipitating electrons on a time scale smaller than the pulsation duration and to investigate the response of the ionospheric electron density on a comparable time scale. The relationship between total energy flux and the characteristic energy parameter suggests that during these observations the pulsations were caused by a modulation of ..cap alpha.. rather than by a modulation of the total precipitating particle flux. The values of E/sub t/ and ..cap alpha.. derived from photometric data were used to model the electron density versus altitude in the ionosphere for comparison with the incoherent scatter radar measurements. Measured altitude profiles of ionization did not change significantly on the time scale of the pulsations. The E region maximum electron density typically was 7 x 10/sup 5/ at an altitude of 99 km. Variations in ionospheric conductivity were less than 15% on the pulsation time scale. These results suggest that a magnetospheric modulation mechanism is required to explain diffuse pulsating auroras.

  19. Distinction between sequential and direct ionization in two-photon double ionization of helium

    NASA Astrophysics Data System (ADS)

    Selstø, Sølve; Raynaud, Xavier; Simonsen, Aleksander Skjerlie; Førre, Morten

    2014-11-01

    This paper aims to shed some light on the role of the direct, or nonsequential, ionization channel in the regime in which the sequential channel is open in two-photon double ionization (TPDI) of helium. In this regime the sequential channel dominates any direct contribution unless the laser pulse is of very short duration, in which case their distinction is hard to draw. Based on both a simple model and full solutions of the time-dependent Schrödinger equation, we aim to provide evidence of direct double ionization by identifying a term proportional to the pulse duration in the double ionization yield. Indeed, such a term is identified in the energy-differential yield. When it comes to the total double ionization probability, however, it turns out that the net first-order contribution is negative. The nature of the negative first-order contribution is discussed, and we argue that it is of correlated origin.

  20. Electron-impact ionization of Se2+ and Se3+

    NASA Astrophysics Data System (ADS)

    Pindzola, M. S.; Loch, S. D.

    2016-06-01

    Electron-impact ionization cross sections for Se2+ and Se3+ are calculated using a semi-relativistic configuration-average distorted-wave (CADW) method. Good agreement between the CADW calculations and recent experimental measurements are found for the single ionization of Se2+ from threshold to 500 eV and for the double ionization of Se2+ from threshold to 225 eV. Good agreement between the CADW calculations and recent experimental measurements are also found for the single ionization of Se3+ from threshold to 200 eV and for the double ionization of Se3+ near the peak of the cross section at 350 eV. Disagreements at other incident electron energies may be due to the complexity of the ionization pathways for low charged Se atomic ions, the various theoretical approximations, and the difficulty in measuring relatively small double ionization events.

  1. Theoretical study of asymmetric molecular-frame photoelectron angular distributions for C 1s photoejection from CO{sub 2}

    SciTech Connect

    Miyabe, S.; McCurdy, C. W.; Orel, A. E.; Rescigno, T. N.

    2009-05-15

    We report the results of ab initio calculations of cross sections and molecular-frame photoelectron angular distributions for C 1s ionization of CO{sub 2} and propose a mechanism for the recently observed asymmetry of those angular distributions with respect to the CO{sup +} and O{sup +} ions produced by subsequent Auger decay. The fixed-nuclei, photoionization amplitudes were constructed using variationally obtained electron-molecular ion scattering wave functions. We have also carried out electronic structure calculations which identify a dissociative state of the CO{sub 2}{sup 2+} dication that is likely populated following Auger decay and which leads to O{sup +}+CO{sup +} fragment ions. We show that a proper accounting of vibrational motion in the computation of the photoelectron angular distributions, along with reasonable assumptions about the nuclear dissociation dynamics, gives results in good agreement with recent experimental observations. We also demonstrate that destructive interference between different partial waves accounts for sudden changes with photon energy in the observed angular distributions.

  2. Fragmentation pathways of ethylene after core ionization

    NASA Astrophysics Data System (ADS)

    Gaire, B.; Bocharova, I.; Sturm, F. P.; Gehrken, N.; Haxton, D. J.; Belkacem, A.; Weber, Th.; Zohrabi, M.; Ben-Itzhak, I.; Gatton, A.; Williams, J.; Reedy, D.; Nook, C.; Landers, A.; Gassert, H.; Zeller, S.; Voigtsberger, J.; Jahnke, T.; Doerner, R.

    2014-05-01

    We have measured the Auger electrons in coincidence with the recoil ions, resulting from the core ionization of ethylene molecules, by employing the COLd Target Recoil Ion Momentum Spectroscopy (COLTRIMS) method. The Auger-electron and recoil-ion energy maps are used to identify the fragmentation pathways and they are compared to the valence photo-double-ionization of ethylene. The dicationic electronic states favored by the propensity rules are identified and their role on the fragmentation pathways is discussed. The molecular-frame Auger electron angular distribution provides further insight into the breakup of this molecule after core ionization. Supported by the Director, Office of Science, Office of Basic Energy Sciences, and by the Division of Chemical Sciences, Geosciences, and Biosciences of the U.S. Department of Energy at LBNL under Contract No. DE-AC02-05CH11231.

  3. Improved measurement of the 1s2s 1S0-1s2p 3P1 interval in heliumlike silicon.

    PubMed

    DeVore, Thomas R; Crosby, David N; Myers, Edmund G

    2008-06-20

    Using colinear fast-beam laser spectroscopy with copropagating and counter-propagating beams we have measured the 1s2s 1S0-1s2p 3P1 intercombination interval in 28Si12+ with the result 7230.585(6) cm{-1}. The experiment made use of a dual-wavelength, high-finesse, power build-up cavity excited by single-frequency lasers at 1319 and 1450 nm. The result will provide a precision test of ab initio relativistic many-body atomic theory at moderate Z. PMID:18643579

  4. 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)).

  5. 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.

  6. Ionized cluster beam technology for material science

    NASA Astrophysics Data System (ADS)

    Takagi, Toshinori

    1997-06-01

    The most suitable kinetic energy range of ionized materials in film formation and epitaxial growth is from a few eV to a few hundreds eV, especially, less than about 100eV, when ions are used as a host. The main roles of ions in film formation are the effects due to their kinetic energy and the electronic charge effects which involve the effect to active film formation and the effect acceleration of chemical reactions. Therefore, it is important to develope the technology to transport large volume of a flux of ionized particles with an extremely low incident energy without any troubles due to the space charge effects and charge up problems on the surface. This is the exact motivation for us to have been developing the Ionized Cluster Beam (ICB) technology since 1972. By ICB technology materials (actually wide varieties of materials such as metal, semiconductor, magnetic material, insulator, organic material, etc.) are vaporized and ejected through a small hole nozzle into a high vacuum, where the vaporized material condenses into clusters with loosely coupled atoms with the sizes about from 100 to a few 1000 atoms (mainly 100-2000 atoms) by supercondensation phenomena due to the adiabatic expansion in this evaporation process through a small hole nozzle. In the ICB technology an atom in each cluster is ionized by irradiated by electron shower, and the ionized clusters are accelerated by electric field onto a substrate. The ionized clusters with neutral clusters impinged onto a substrate are spreaded separately into atoms migrating over the substrate, so that the surface migration energy of the impinged atoms, that is, surface diffusion energy are controlled by an incident energy of a cluster. In this report the theoretical and also experimental results of ICB technology are summarized.

  7. X-RAY OUTFLOWS IN THE SWIFT BURST ALERT DETECTED SEYFERT 1s

    SciTech Connect

    Winter, Lisa M.

    2010-12-20

    Previous surveys of outflows in low-redshift active galactic nuclei (AGNs) have relied on the analysis of sources selected primarily for their optical/X-ray brightness and are therefore biased. Toward determining the outflow properties of local AGNs, we detect warm absorption signatures of O VII and O VIII absorption edges in the available Suzaku/XMM-Newton CCD spectra of an unbiased sample of 44 Seyfert 1-1.5 sources selected in the very hard X-rays (14-195 keV) with the Swift Burst Alert Telescope. From our analysis, we find that O VII and O VIII absorption edges are present in 41% of the sample. This fraction is dependent on luminosity, with outflow detections in 60% of low-luminosity and 30% of high-luminosity sources. However, grating spectroscopy of the highest luminosity sources reveals that {approx}80% of these sources have ionized absorbers, but that the ionization states are higher/lower than produces the O VII and O VIII edges. This suggests that ionized absorption may be present in all local Seyfert 1s.

  8. Strong laser-induced coupling between autoionizing states: the case of the four-photon-excited 3p2 1S0 state of magnesium

    NASA Astrophysics Data System (ADS)

    Dimitriou, A.; Cohen, S.; Lyras, A.; Liontos, I.

    2012-10-01

    We investigate the interaction of ground-state Mg atoms with tuneable laser radiation of ˜5 ns duration and moderate intensity (≤1012 W cm-2), capable of exciting the 3p2 1S0 autoionizing state by four photons. For the corresponding photon energy range, this level is strongly one-photon coupled both with bound (third photon) and, primarily, a multitude of other autoionizing states (fifth photon). The coupling is strong enough to induce the absorption of up to six photons before the atom is ionized, creating thus population into the first excited 3pj Mg+ levels which subsequently decay radiatively to the 3s1/2 ionic ground state. The earlier studies devoted to this excitation scheme were thorough but partial. Particularly, the issues concerning the five-photon excited levels were not addressed. In this work, the examined wavelength range is greatly extended to include these states. Moreover, the interaction is characterized in more detail by employing an array of experimental techniques, namely Mg+ ion and photoelectron spectroscopy (including photoelectron angular distributions (PADs) from four- and five-photon ionization) as well as fluorescence spectroscopy where the 3pj→3s1/2 decay is monitored. The experimental data show that most of these five-photon excited levels undergo blue ac Stark shifts which are occasionally nonlinear with respect to the laser intensity and comparable to or even larger in magnitude than the large redshift of the 3p2 1S0 state itself. Finally, for the latter state, the wavelength dependence of four-photon PAD measurements is suggestive of a situation reminiscent of an ac Stark splitting picture.

  9. Ab initio investigation of the autoionization process Ar*(4s {sup 3}P{sub 2}, {sup 3}P{sub 0})+Hg{yields}(Ar-Hg){sup +}+e{sup -}: Potential energy curves and autoionization widths, ionization cross sections, and electron energy spectra

    SciTech Connect

    Thiel, Linda; Hotop, Hartmut; Meyer, Wilfried

    2005-05-08

    Multireference configuration interaction (MRCI) calculations have been performed for the Ar*(4s {sup 3}P{sub 2,0})+Hg collision complex. Feshbach projection based on orbital occupancy defines the entrance channel resonance states and provides their potential energy curves as well as resonance-continuum coupling matrix elements, which are turned into an autoionization width function by Stieltjes imaging. Coupled cluster calculations with singles, doubles, and pertubative triples [CCSD(T)] give the exit channel potential of ArHg{sup +}. The Hg{sup 20+} core is treated by a scalar-relativistic effective core potential, reparametrized to reproduce experimental excitation and ionization energies. Spin-orbit interaction is included for the Ar* open 3p shell. The nuclear motion is treated within the local complex potential approximation. Ionization occurs for 85% ({sup 3}P{sub 0}) and 98% ({sup 3}P{sub 2}) of the symmetry allowed close collisions. Calculated ionization cross sections show good agreement with experimental data. The difference potential of the collision complex is remarkably flat down to internuclear separations of 8a{sub 0} and leads to very sharp peaks in theoretical electron energy spectra for single collision energies. After accounting for the experimental energy distribution and the resolution function of the spectrometer, a very satisfying agreement with experimental electron energy spectra is found, including subtle differences due to spin-orbit coupling. Theoretical input appears indispensable for an analysis of the measured data in terms of potential energy curves and autoionization width functions.

  10. 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.

  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. Interfering one-photon and two-photon ionization by femtosecond VUV pulses in the region of an intermediate resonance

    NASA Astrophysics Data System (ADS)

    Grum-Grzhimailo, Alexei N.; Gryzlova, Elena V.; Staroselskaya, Ekaterina I.; Venzke, Joel; Bartschat, Klaus

    2015-06-01

    The electron angular distribution after atomic photoionization by the fundamental frequency and its second harmonic is analyzed for a case when the frequency of the fundamental scans the region of an intermediate atomic state. The angular distribution and its left-right asymmetry, due to the two-pathway interference between nonresonant one-photon and resonant two-photon ionization, sharply change as a function of the photon energy. The phenomenon is exemplified by both solving the time-dependent Schrödinger equation on a numerical space-time grid and by applying perturbation theory for ionization of the hydrogen atom in the region of the 1 s -2 p transition for femtosecond pulses as well as an infinitely long exposure to the radiation. Parametrizations for the asymmetry and the anisotropy coefficients, obtained within perturbation theory, reveal general characteristics of observable quantities as functions of the parameters of the radiation beam.

  13. 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.

  14. Resonance enhanced multiphoton ionization and zero electron kinetic energy spectroscopy of the DABCO-N2 van der Waals complex: Divergent energy level spacings as evidence for an offset parallel structure

    NASA Astrophysics Data System (ADS)

    Watkins, Mark J.; Cockett, Martin C. R.

    2003-12-01

    The DABCO-N2 van der Waals complex has been investigated using a combination of (1+1') resonance enhanced multiphoton ionization and zero electron kinetic energy spectroscopy, supported by ab initio molecular orbital calculations. The observation of extended vibrational progressions of low wave number with diverging vibrational spacings supports an assignment to an offset parallel structure analogous to the 45° canted parallel structures proposed for the nitrogen dimer. The active vibrational mode is assigned to a mixed van der Waals stretch/rocking mode in which the nitrogen solvent undergoes a hindered rotational motion against the DABCO framework in the plane containing the C3 axis in DABCO and the intermolecular axis in N2. The results of counterpoise corrected ab initio calculations support this assignment to the extent that they suggest that a parallel structure is the most stable with a cross structure identified as a transition state. No experimental evidence is found for the existence of other stable structures.

  15. Approximate method for estimating plasma ionization characteristics based on numerical simulation of the dynamics of a plasma bunch with a high specific energy in the upper ionosphere

    NASA Astrophysics Data System (ADS)

    Motorin, A. A.; Stupitsky, E. L.; Kholodov, A. S.

    2016-07-01

    The spatiotemporal pattern for the development of a plasma cloud formed in the ionosphere and the main cloud gas-dynamic characteristics have been obtained from 3D calculations of the explosion-type plasmodynamic flows previously performed by us. An approximate method for estimating the plasma temperature and ionization degree with the introduction of the effective adiabatic index has been proposed based on these results.

  16. 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.

  17. Search for invisible decays of the Upsilon(1S).

    PubMed

    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; Osipenkov, I L; Tackmann, K; Tanabe, T; Hawkes, C M; Soni, N; Watson, A T; Koch, H; Schroeder, T; Asgeirsson, D J; Hearty, C; Mattison, T S; McKenna, J A; Barrett, M; Khan, A; Randle-Conde, A; Blinov, V E; Bukin, A D; Buzykaev, A R; Druzhinin, V P; Golubev, V B; Onuchin, A P; Serednyakov, S I; Skovpen, Yu I; Solodov, E P; Todyshev, K Yu; Bondioli, M; Curry, S; Eschrich, I; Kirkby, D; Lankford, A J; Lund, P; Mandelkern, M; Martin, E C; Stoker, D P; Atmacan, H; Gary, J W; Liu, F; Long, O; Vitug, G M; Yasin, Z; Sharma, V; Campagnari, C; Hong, T M; Kovalskyi, D; Mazur, M A; Richman, J D; Beck, T W; Eisner, A M; Heusch, C A; Kroseberg, J; Lockman, W S; Martinez, A J; Schalk, T; Schumm, B A; Seiden, A; Wang, L; Winstrom, L O; Cheng, C H; Doll, D A; Echenard, B; Fang, F; Hitlin, D G; Narsky, I; Ongmongkolkul, P; Piatenko, T; Porter, F C; Andreassen, R; Mancinelli, G; Meadows, B T; Mishra, K; Sokoloff, M D; Bloom, P C; Ford, W T; Gaz, A; Hirschauer, J F; Nagel, M; Nauenberg, U; Smith, J G; Wagner, S R; Ayad, R; Toki, W H; Wilson, R J; Feltresi, E; Hauke, A; Jasper, H; Karbach, T M; Merkel, J; Petzold, A; Spaan, B; Wacker, K; Kobel, M J; Nogowski, R; Schubert, K R; Schwierz, R; Bernard, D; Latour, E; Verderi, M; Clark, P J; Playfer, S; Watson, J E; Andreotti, M; Bettoni, D; Bozzi, C; Calabrese, R; Cecchi, A; Cibinetto, G; Fioravanti, E; Franchini, P; Luppi, E; Munerato, M; Negrini, M; Petrella, A; Piemontese, L; Santoro, V; Baldini-Ferroli, R; Calcaterra, A; de Sangro, R; Finocchiaro, G; Pacetti, S; Patteri, P; Peruzzi, I M; Piccolo, M; Rama, M; Zallo, A; Contri, R; Guido, E; Lo Vetere, M; Monge, M R; Passaggio, S; Patrignani, C; Robutti, E; Tosi, S; Chaisanguanthum, K S; Morii, M; Adametz, A; Marks, J; Schenk, S; Uwer, U; Bernlochner, F U; Klose, V; Lacker, H M; Lueck, T; Volk, A; Bard, D J; Dauncey, P D; Tibbetts, M; Behera, P K; Charles, M J; Mallik, U; Cochran, J; Crawley, H B; Dong, L; Eyges, V; Meyer, W T; Prell, S; Rosenberg, E I; Rubin, A E; Gao, Y Y; Gritsan, A V; Guo, Z J; Arnaud, N; Béquilleux, J; D'Orazio, A; Davier, M; Derkach, D; Firmino da Costa, J; Grosdidier, G; Le Diberder, F; Lepeltier, V; Lutz, A M; Malaescu, B; Pruvot, S; Roudeau, P; Schune, M H; Serrano, J; Sordini, V; Stocchi, A; Wormser, G; Lange, D J; Wright, D M; Bingham, I; Burke, J P; Chavez, C A; Fry, J R; Gabathuler, E; Gamet, R; Hutchcroft, D E; Payne, D J; Touramanis, C; Bevan, A J; Clarke, C K; Di Lodovico, F; Sacco, R; Sigamani, M; Cowan, G; Paramesvaran, S; Wren, A C; Brown, D N; Davis, C L; Denig, A G; Fritsch, M; Gradl, W; Hafner, A; Alwyn, K E; Bailey, D; Barlow, R J; Jackson, G; Lafferty, G D; West, T J; Yi, J I; Anderson, J; Chen, C; Jawahery, A; Roberts, D A; Simi, G; Tuggle, J M; Dallapiccola, C; Salvati, E; Cowan, R; Dujmic, D; Fisher, P H; Henderson, S W; Sciolla, G; Spitznagel, M; Yamamoto, R K; Zhao, M; Patel, P M; Robertson, S H; Schram, M; Biassoni, P; Lazzaro, A; Lombardo, V; Palombo, F; Stracka, S; Cremaldi, L; Godang, R; Kroeger, R; Sonnek, P; Summers, D J; Zhao, H W; Simard, M; Taras, P; Nicholson, H; De Nardo, G; Lista, L; Monorchio, D; Onorato, G; Sciacca, C; Raven, G; Snoek, H L; Jessop, C P; Knoepfel, K J; LoSecco, J M; Wang, W F; Corwin, L A; Honscheid, K; Kagan, H; Kass, R; Morris, J P; Rahimi, A M; Sekula, S J; Wong, Q K; Blount, N L; Brau, J; Frey, R; Igonkina, O; Kolb, J A; Lu, M; Rahmat, R; Sinev, N B; Strom, D; Strube, J; Torrence, E; Castelli, G; Gagliardi, N; Margoni, M; Morandin, M; Posocco, M; Rotondo, M; Simonetto, F; Stroili, R; Voci, C; del Amo Sanchez, P; Ben-Haim, E; Bonneaud, G R; Briand, H; Chauveau, J; Hamon, O; Leruste, Ph; Marchiori, G; Ocariz, J; Perez, A; Prendki, J; Sitt, S; Gladney, L; Biasini, M; Manoni, E; Angelini, C; Batignani, G; Bettarini, S; Calderini, G; Carpinelli, M; Cervelli, A; Forti, F; Giorgi, M A; Lusiani, A; Morganti, M; Neri, N; Paoloni, E; Rizzo, G; Walsh, J J; Lopes Pegna, D; Lu, C; Olsen, J; Smith, A J S; Telnov, A V; Anulli, F; Baracchini, E; Cavoto, G; Faccini, R; Ferrarotto, F; Ferroni, F; Gaspero, M; Jackson, P D; Li Gioi, L; Mazzoni, M A; Morganti, S; Piredda, G; Renga, F; Voena, C; Ebert, M; Hartmann, T; Schröder, H; Waldi, R; Adye, T; Franek, B; Olaiya, E O; Wilson, F F; Emery, S; Esteve, L; Hamel de Monchenault, G; Kozanecki, W; Vasseur, G; Yèche, Ch; Zito, M; Allen, M T; Aston, D; Bartoldus, R; Benitez, J F; Cenci, R; Coleman, J P; Convery, M R; Dingfelder, J C; Dorfan, J; Dubois-Felsmann, G P; Dunwoodie, W; Field, R C; Franco Sevilla, M; Fulsom, B G; Gabareen, A M; Graham, M T; Grenier, P; Hast, C; Innes, W R; Kaminski, J; Kelsey, M H; Kim, H; Kim, P; Kocian, M L; Leith, D W G S; Li, S; Lindquist, B; Luitz, S; Luth, V; Lynch, H L; MacFarlane, D B; Marsiske, H; Messner, R; Muller, D R; Neal, H; Nelson, S; O'Grady, C P; Ofte, I; Perl, M; Ratcliff, B N; Roodman, A; Salnikov, A A; Schindler, R H; Schwiening, J; Snyder, A; Su, D; Sullivan, M K; Suzuki, K; Swain, S K; Thompson, J M; Va'vra, J; Wagner, A P; Weaver, M; West, C A; Wisniewski, W J; Wittgen, M; Wright, D H; Wulsin, H W; Yarritu, A K; Young, C C; Ziegler, V; Chen, X R; Liu, H; Park, W; Purohit, M V; White, R M; Wilson, J R; Bellis, M; Burchat, P R; Edwards, A J; Miyashita, T S; Ahmed, S; Alam, M S; Ernst, J A; Pan, B; Saeed, M A; Zain, S B; Soffer, A; Spanier, S M; Wogsland, B J; Eckmann, R; Ritchie, J L; Ruland, A M; Schilling, C J; Schwitters, R F; Wray, B C; Drummond, B W; Izen, J M; Lou, X C; Bianchi, F; Gamba, D; Pelliccioni, M; Bomben, M; Bosisio, L; Cartaro, C; Della Ricca, G; Lanceri, L; Vitale, L; Azzolini, V; Lopez-March, N; Martinez-Vidal, F; Milanes, D A; Oyanguren, A; Albert, J; Banerjee, Sw; Bhuyan, B; Choi, H H F; Hamano, K; King, G J; Kowalewski, R; Lewczuk, M J; Nugent, I M; Roney, J M; Sobie, R J; Gershon, T J; Harrison, P F; Ilic, J; Latham, T E; Mohanty, G B; Puccio, E M T; Band, H R; Chen, X; Dasu, S; Flood, K T; Pan, Y; Prepost, R; Vuosalo, C O; Wu, S L

    2009-12-18

    We search for invisible decays of the Upsilon(1S) meson using a sample of 91.4 x 10(6) Upsilon(3S) mesons collected at the BABAR/PEP-II B factory. We select events containing the decay Upsilon(3S) --> pi(+)pi(-)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 B(Upsilon(1S) --> invisible) < 3.0 x 10(-4) at the 90% confidence level. PMID:20366249

  18. Search for Invisible Decays of the Υ(1S)

    NASA Astrophysics Data System (ADS)

    Aubert, B.; Karyotakis, Y.; Lees, J. P.; Poireau, V.; Prencipe, E.; Prudent, X.; Tisserand, V.; Tico, J. Garra; 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.; Osipenkov, I. L.; Tackmann, K.; Tanabe, T.; Hawkes, C. M.; Soni, N.; Watson, A. T.; Koch, H.; Schroeder, T.; Asgeirsson, D. J.; Hearty, C.; Mattison, T. S.; McKenna, J. A.; Barrett, M.; Khan, A.; Randle-Conde, A.; Blinov, V. E.; Bukin, A. D.; Buzykaev, A. R.; Druzhinin, V. P.; Golubev, V. B.; Onuchin, A. P.; Serednyakov, S. I.; Skovpen, Yu. I.; Solodov, E. P.; Todyshev, K. Yu.; Bondioli, M.; Curry, S.; Eschrich, I.; Kirkby, D.; Lankford, A. J.; Lund, P.; Mandelkern, M.; Martin, E. C.; Stoker, D. P.; Atmacan, H.; Gary, J. W.; Liu, F.; Long, O.; Vitug, G. M.; Yasin, Z.; Sharma, V.; Campagnari, C.; Hong, T. M.; Kovalskyi, D.; Mazur, M. A.; Richman, J. D.; Beck, T. W.; Eisner, A. M.; Heusch, C. A.; Kroseberg, J.; Lockman, W. S.; Martinez, A. J.; Schalk, T.; Schumm, B. A.; Seiden, A.; Wang, L.; Winstrom, L. O.; Cheng, C. H.; Doll, D. A.; Echenard, B.; Fang, F.; Hitlin, D. G.; Narsky, I.; Ongmongkolkul, P.; Piatenko, T.; Porter, F. C.; Andreassen, R.; Mancinelli, G.; Meadows, B. T.; Mishra, K.; Sokoloff, M. D.; Bloom, P. C.; Ford, W. T.; Gaz, A.; Hirschauer, J. F.; Nagel, M.; Nauenberg, U.; Smith, J. G.; Wagner, S. R.; Ayad, R.; Toki, W. H.; Wilson, R. J.; Feltresi, E.; Hauke, A.; Jasper, H.; Karbach, T. M.; Merkel, J.; Petzold, A.; Spaan, B.; Wacker, K.; Kobel, M. J.; Nogowski, R.; Schubert, K. R.; Schwierz, R.; Bernard, D.; Latour, E.; Verderi, M.; Clark, P. J.; Playfer, S.; Watson, J. E.; Andreotti, M.; Bettoni, D.; Bozzi, C.; Calabrese, R.; Cecchi, A.; Cibinetto, G.; Fioravanti, E.; Franchini, P.; Luppi, E.; Munerato, M.; Negrini, M.; Petrella, A.; Piemontese, L.; Santoro, V.; Baldini-Ferroli, R.; Calcaterra, A.; de Sangro, R.; Finocchiaro, G.; Pacetti, S.; Patteri, P.; Peruzzi, I. M.; Piccolo, M.; Rama, M.; Zallo, A.; Contri, R.; Guido, E.; Lo Vetere, M.; Monge, M. R.; Passaggio, S.; Patrignani, C.; Robutti, E.; Tosi, S.; Chaisanguanthum, K. S.; Morii, M.; Adametz, A.; Marks, J.; Schenk, S.; Uwer, U.; Bernlochner, F. U.; Klose, V.; Lacker, H. M.; Lueck, T.; Volk, A.; Bard, D. J.; Dauncey, P. D.; Tibbetts, M.; Behera, P. K.; Charles, M. J.; Mallik, U.; Cochran, J.; Crawley, H. B.; Dong, L.; Eyges, V.; Meyer, W. T.; Prell, S.; Rosenberg, E. I.; Rubin, A. E.; Gao, Y. Y.; Gritsan, A. V.; Guo, Z. J.; Arnaud, N.; Béquilleux, J.; D'Orazio, A.; Davier, M.; Derkach, D.; da Costa, J. Firmino; Grosdidier, G.; Le Diberder, F.; Lepeltier, V.; Lutz, A. M.; Malaescu, B.; Pruvot, S.; Roudeau, P.; Schune, M. H.; Serrano, J.; Sordini, V.; Stocchi, A.; Wormser, G.; Lange, D. J.; Wright, D. M.; Bingham, I.; Burke, J. P.; Chavez, C. A.; Fry, J. R.; Gabathuler, E.; Gamet, R.; Hutchcroft, D. E.; Payne, D. J.; Touramanis, C.; Bevan, A. J.; Clarke, C. K.; di Lodovico, F.; Sacco, R.; Sigamani, M.; Cowan, G.; Paramesvaran, S.; Wren, A. C.; Brown, D. N.; Davis, C. L.; Denig, A. G.; Fritsch, M.; Gradl, W.; Hafner, A.; Alwyn, K. E.; Bailey, D.; Barlow, R. J.; Jackson, G.; Lafferty, G. D.; West, T. J.; Yi, J. I.; Anderson, J.; Chen, C.; Jawahery, A.; Roberts, D. A.; Simi, G.; Tuggle, J. M.; Dallapiccola, C.; Salvati, E.; Cowan, R.; Dujmic, D.; Fisher, P. H.; Henderson, S. W.; Sciolla, G.; Spitznagel, M.; Yamamoto, R. K.; Zhao, M.; Patel, P. M.; Robertson, S. H.; Schram, M.; Biassoni, P.; Lazzaro, A.; Lombardo, V.; Palombo, F.; Stracka, S.; Cremaldi, L.; Godang, R.; Kroeger, R.; Sonnek, P.; Summers, D. J.; Zhao, H. W.; Simard, M.; Taras, P.; Nicholson, H.; de Nardo, G.; Lista, L.; Monorchio, D.; Onorato, G.; Sciacca, C.; Raven, G.; Snoek, H. L.; Jessop, C. P.; Knoepfel, K. J.; Losecco, J. M.; Wang, W. F.; Corwin, L. A.; Honscheid, K.; Kagan, H.; Kass, R.; Morris, J. P.; Rahimi, A. M.; Sekula, S. J.; Wong, Q. K.; Blount, N. L.; Brau, J.; Frey, R.; Igonkina, O.; Kolb, J. A.; Lu, M.; Rahmat, R.; Sinev, N. B.; Strom, D.; Strube, J.; Torrence, E.; Castelli, G.; Gagliardi, N.; Margoni, M.; Morandin, M.; Posocco, M.; Rotondo, M.; Simonetto, F.; Stroili, R.; Voci, C.; Del Amo Sanchez, P.; Ben-Haim, E.; Bonneaud, G. R.; Briand, H.; Chauveau, J.; Hamon, O.; Leruste, Ph.; Marchiori, G.; Ocariz, J.; Perez, A.; Prendki, J.; Sitt, S.; Gladney, L.; Biasini, M.; Manoni, E.; Angelini, C.; Batignani, G.; Bettarini, S.; Calderini, G.; Carpinelli, M.; Cervelli, A.; Forti, F.; Giorgi, M. A.; Lusiani, A.; Morganti, M.; Neri, N.; Paoloni, E.; Rizzo, G.; Walsh, J. J.; Pegna, D. Lopes; Lu, C.; Olsen, J.; Smith, A. J. S.; Telnov, A. V.; Anulli, F.; Baracchini, E.; Cavoto, G.; Faccini, R.; Ferrarotto, F.; Ferroni, F.; Gaspero, M.; Jackson, P. D.; Gioi, L. Li; Mazzoni, M. A.; Morganti, S.; Piredda, G.; Renga, F.; Voena, C.; Ebert, M.; Hartmann, T.; Schröder, H.; Waldi, R.; Adye, T.; Franek, B.; Olaiya, E. O.; Wilson, F. F.; Emery, S.; Esteve, L.; de Monchenault, G. Hamel; Kozanecki, W.; Vasseur, G.; Yèche, Ch.; Zito, M.; Allen, M. T.; Aston, D.; Bartoldus, R.; Benitez, J. F.; Cenci, R.; Coleman, J. P.; Convery, M. R.; Dingfelder, J. C.; Dorfan, J.; Dubois-Felsmann, G. P.; Dunwoodie, W.; Field, R. C.; Sevilla, M. Franco; Fulsom, B. G.; Gabareen, A. M.; Graham, M. T.; Grenier, P.; Hast, C.; Innes, W. R.; Kaminski, J.; Kelsey, M. H.; Kim, H.; Kim, P.; Kocian, M. L.; Leith, D. W. G. S.; Li, S.; Lindquist, B.; Luitz, S.; Luth, V.; Lynch, H. L.; Macfarlane, D. B.; Marsiske, H.; Messner, R.; Muller, D. R.; Neal, H.; Nelson, S.; O'Grady, C. P.; Ofte, I.; Perl, M.; Ratcliff, B. N.; Roodman, A.; Salnikov, A. A.; Schindler, R. H.; Schwiening, J.; Snyder, A.; Su, D.; Sullivan, M. K.; Suzuki, K.; Swain, S. K.; Thompson, J. M.; Va'Vra, J.; Wagner, A. P.; Weaver, M.; West, C. A.; Wisniewski, W. J.; Wittgen, M.; Wright, D. H.; Wulsin, H. W.; Yarritu, A. K.; Young, C. C.; Ziegler, V.; Chen, X. R.; Liu, H.; Park, W.; Purohit, M. V.; White, R. M.; Wilson, J. R.; Bellis, M.; Burchat, P. R.; Edwards, A. J.; Miyashita, T. S.; Ahmed, S.; Alam, M. S.; Ernst, J. A.; Pan, B.; Saeed, M. A.; Zain, S. B.; Soffer, A.; Spanier, S. M.; Wogsland, B. J.; Eckmann, R.; Ritchie, J. L.; Ruland, A. M.; Schilling, C. J.; Schwitters, R. F.; Wray, B. C.; Drummond, B. W.; Izen, J. M.; Lou, X. C.; Bianchi, F.; Gamba, D.; Pelliccioni, M.; Bomben, M.; Bosisio, L.; Cartaro, C.; Della Ricca, G.; Lanceri, L.; Vitale, L.; Azzolini, V.; Lopez-March, N.; Martinez-Vidal, F.; Milanes, D. A.; Oyanguren, A.; Albert, J.; Banerjee, Sw.; Bhuyan, B.; Choi, H. H. F.; Hamano, K.; King, G. J.; Kowalewski, R.; Lewczuk, M. J.; Nugent, I. M.; Roney, J. M.; Sobie, R. J.; Gershon, T. J.; Harrison, P. F.; Ilic, J.; Latham, T. E.; Mohanty, G. B.; Puccio, E. M. T.; Band, H. R.; Chen, X.; Dasu, S.; Flood, K. T.; Pan, Y.; Prepost, R.; Vuosalo, C. O.; Wu, S. L.

    2009-12-01

    We search for invisible decays of the Υ(1S) meson using a sample of 91.4×106 Υ(3S) mesons collected at the BABAR/PEP-II B factory. We select events containing the decay Υ(3S)→π+π-Υ(1S) and search for evidence of an undetectable Υ(1S) decay recoiling against the dipion system. We set an upper limit on the branching fraction B(Υ(1S)→invisible)<3.0×10-4 at the 90% confidence level.

  19. Electron impact ionization of glycolaldehyde

    NASA Astrophysics Data System (ADS)

    Ptasinska, Sylwia; Denifl, Stephan; Scheier, Paul; Märk, Tilmann D.

    2005-05-01

    Positive ion formation upon electron impact ionization of the monomeric and dimeric form of glycolaldehyde is studied with high electron energy resolution. In the effusive neutral beam of evaporated monomeric glycolaldehyde some ions with a mass larger than the monomer indicate the presence of weakly bound neutral dimers. The yield of all ions that originate from the electron impact ionization of these neutral dimers exhibit a strong temperature dependence that can be interpreted as being due to the formation of dimers via three body collisions and thermal decomposition of the dimeric form back into monomers at higher temperatures. Ion efficiency curves are measured and analyzed for the 10 most abundant product cations of monomeric glycolaldehyde. The appearance energies of the parent ion signals of the monomer and dimer of glycolaldehyde (10.2 and 9.51 eV, respectively) are lower than the appearance energy of the parent cation of the more complex sugar deoxyribose that was recently determined to be 10.51 eV.

  20. 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.

  1. 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}.

  2. 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.

  3. 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

  4. Angular Correlation of Electrons Emitted by Double Auger Decay of K-Shell Ionized Neon

    NASA Astrophysics Data System (ADS)

    Jones, Matthew Philip

    2011-12-01

    We have investigated in detail the 4-body continuum state produced when core-ionized neon undergoes Double-Auger (DA) decay, using COLd Target Recoil Ion Momentum Spectroscopy (COLTRIMS ). We conducted the experiment at the Lawrence Berkeley National Laboratory's Advanced Light Source (LBNL-ALS) beamline 11.0.2. The synchrotron operated in 2-bunch mode and outputted an elliptically polarized, pulsed photon beam (hn=872.9eV), sufficient to K-shell ionize neon just above threshold. Our analysis supports research showing that Auger electrons tend to share energy asymmetrically. We qualitatively compared this result to Photo-Double Ionization (PDI) of helium. Further, we confirm research that shows how Auger electrons that share energy symmetrically can be modeled by the elastic-like knock-out process plus Post-Collision Interaction ( PCI) effects. New observations include the angular correlation between the photo-electron and each respective Auger electron, for specific ranges of energy sharing. We identify a broad feature in the asymmetric case that shows a level of interaction between electrons that until recently, has disagreed with theory. Additionally, we consider the angular correlation between the photo-electron and the momentum sum of the Auger electrons. We observe that the angular correlation between this sum and the photo-electron in the highly asymmetric case is nearly identical to the correlation between just the fast-Auger and the photo-electron - as expected. In the case of symmetric energy sharing, the sum momentum vector appears to be isotropic, particularly for small angles of interaction. Finally, we acknowledge two novel methods of calibration. The first, uses well known line-energies to calibrate the spectrometer. These lines correspond to the decay channels of core-excited neon, Ne(1 s-13p). The second, describes a method to statistically weight list-mode data in order to calibrate it to well known physical features (e.g., isotropic distributions).

  5. Surface ionization of terpene hydrocarbons

    SciTech Connect

    Zandberg, E.Y.; Nezdyurov, A.L.; Paleev, V.I.; Ponomarev, D.A.

    1986-09-01

    By means of a surface ionization indicator for traces of materials in the atmosphere it has been established that many natural materials containing terpenes and their derivatives are ionized on the surface of heated molybdenum oxide at atmospheric air pressure. A mass-spectrometer method has been used to explain the mechanism of ionization of individual terpene hydrocarbons and to establish its principles. The ionization of ..cap alpha..-pinene, alloocimene, camphene, and also adamantane on oxidized tungsten under vacuum conditions has been investigated. The ..cap alpha..-pinene and alloocimene are ionized by surface ionization but camphene and adamantane are not ionized under vacuum conditions. The surface ionization mass spectra of ..cap alpha..-pinene and alloocimene are of low line brightness in comparison with electron ionization mass spectra and differ between themselves. The temperature relations for currents of the same compositions of ions during ionization of ..cap alpha..-pinene and alloocimene are also different, which leads to the possibility of surface ionization analysis of mixtures of terpenes being ionized. The ionization coefficients of alloocimene and ..cap alpha..-pinene on oxidized tungsten under temperatures optimum for ionization and the ionization potentials of alloocimene molecules and of radicals (M-H) of both compounds have been evaluated.

  6. 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

  7. High-level ab initio predictions for the ionization energy, bond dissociation energies, and heats of formation of cobalt carbide (CoC) and its cation (CoC+).

    PubMed

    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, (1)Σ(+), 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 Co

  8. Long-range properties of 1 S bottomonium states

    NASA Astrophysics Data System (ADS)

    Brambilla, Nora; Krein, Gastão; Tarrús Castellà, Jaume; Vairo, Antonio

    2016-03-01

    In the framework of weakly coupled potential nonrelativistic QCD, we derive, first, an analytical expression for the chromopolarizability of 1 S bottomonium states in agreement with previous determinations. Then we use the QCD trace anomaly to obtain the two-pion production amplitude for the chromopolarizability operator and match the result to a chiral effective field theory with 1 S bottomonium states and pions as degrees of freedom. In this chiral effective field theory we compute some long-range properties of the 1 S bottomonium generated by the pion coupling such as the leading chiral logarithm to the 1 S bottomonium mass and the van der Waals potential between two 1 S bottomonium states. Both results improve on previously known expressions.

  9. 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.

  10. The International Muon Ionization Cooling Experiment: MICE and Neutrino Factories

    NASA Astrophysics Data System (ADS)

    Freemire, Ben

    2010-03-01

    The Muon Ionization Cooling Experiment (MICE) is an accelerator and particle physics experiment aimed at demonstrating the technique of ionization cooling on a beam of muons. Ionization cooling is the process by which muons are sent through an absorbing material, thereby losing energy and decreasing their normalized emittance. The muons are then reaccelerated in the appropriate direction with radio frequency (RF) cavities. This produces an overall reduction in transverse emittance of the muon beam. Ionization cooling could be a key technique in the design of a high intensity Neutrino Factory.

  11. Characterization of a homemade ionization chamber for radiotherapy beams.

    PubMed

    Neves, Lucio P; Perini, Ana P; dos Santos, Gelson P; Xavier, Marcos; Khoury, Helen J; Caldas, Linda V E

    2012-07-01

    A homemade cylindrical ionization chamber was studied for routine use in therapy beams of (60)Co and X-rays. Several characterization tests were performed: leakage current, saturation, ion collection efficiency, polarity effect, stability, stabilization time, chamber orientation and energy dependence. All results obtained were within international recommendations. Therefore the homemade ionization chamber presents usefulness for routine dosimetric procedures in radiotherapy beams. PMID:22153889

  12. Dielectronic recombination rates, ionization equilibrium, and radiative energy-loss rates for neon, magnesium, and sulfur ions in low-density plasmas. [in solar corona

    NASA Technical Reports Server (NTRS)

    Jacobs, V. L.; Davis, J.; Rogerson, J. E.; Blaha, M.

    1979-01-01

    Results of detailed and systematic calculations are presented for the total dielectronic recombination rate coefficients for the ions of Ne, Mg, and S in a low-density predominantly hydrogen plasma. The new recombination rates are used to calculate solar corona ionization-equilibrium distributions of the ions. The most important effect of dielectronic recombination for ions in corona equilibrium is found to be a shift in the maximum-abundance temperatures toward higher temperatures, which are in some cases reduced from those predicted on the basis of the simple Burgess formula.

  13. The ionization sources of the diffuse ionized gas in nearby disk galaxies

    NASA Astrophysics Data System (ADS)

    Voges, Erica Susan

    Diffuse ionized gas (DIG) has been shown to be an important component of the interstellar medium (ISM), with its large filling factor (>= 20%) and a mass that makes it the most massive component of the Galactic ionized ISM. Given that it has been found to be ubiquitous in both the Galaxy and external disk galaxies, the energy source to create and maintain the DIG must necessarily be large. Massive OB stars are the only known sources with enough energy to power the DIG, and DIG is also linked morphologically to OB stars as it is brightest near bright star forming regions. However, the details of the location and spectral types of the ionizing stars, as well as the relevance of other ionizing mechanisms, are still not clear. I present the results of three different studies aimed at exploring the ionization sources of the DIG. Optical spectroscopy of DIG in M33 and NGC 891 using the Gemini-North telescope has been obtained to compare diagnostic emission line ratios with photoionization models. The first detection of (O I] l6300 was made in the DIG of M33. In M33, models in which ionizing photons leaking from H II regions are responsible for the ionization of the DIG best fit our observed line ratios. In NGC 891, we found evidence that shock ionization may need to be included along with photoionization in order to explain our observed emission line ratios. The diffuse Ha fraction in eight nearby galaxies was studied as a function of radius and star formation rate per unit area. We found no correlation with radius, but we did find that regions with higher star formation rates have lower diffuse fractions. Neither of these results had any dependence on galaxy type. These results have implications regarding the circumstances under which H II regions may be leaking ionizing photons and thus ionizing DIG. We also compared observed and predicted ionizing photon emission rates for 39 H II regions in the Large Magellanic Cloud. Our results indicate that five of the H II

  14. 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.

  15. X-ray photoelectron spectroscopic study of trifluoromethyl isocyanide. Back-bonding, fluorine lone-pair ionization potentials, and the CF/sub 3/NC. -->. CF/sub 3/CN isomerization energy

    SciTech Connect

    Beach, D.B.; Jolly, W.L.; Lentz, D.

    1985-06-05

    Core binding energy data for CF/sub 3/NC, Cr(CO)/sub 5/CNCF/sub 3/, and W(CO)/sub 5/CNCF/sub 3/ indicate that CF/sub 3/NC is a very strong ..pi..-acceptor ligand, practically as strong as CO. The core and fluorine lone-pair valence ionization potentials of CF/sub 3/NC and CF/sub 3/CN show that the net interaction of the fluorine lone-pair orbitals with other orbitals in these molecules is zero. The core data for CF/sub 3/NC and CF/sub 3/CN, when interpreted with the equivalent cores approximation, lead to a CF/sub 3/NC ..-->.. CF/sub 3/CN isomerization energy of -23 kcal mol/sup -1/.

  16. 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. PMID:16833657

  17. Ionization of xenon by electrons: Partial cross sections for single, double, and triple ionization

    SciTech Connect

    Mathur, D.; Badrinathan, C.

    1987-02-01

    High-sensitivity measurements of relative partial cross sections for single, double, and triple ionization of Xe by electron impact have been carried out in the energy region from threshold to 100 eV using a crossed-beam apparatus incorporating a quadrupole mass spectrometer. The weighted sum of the relative partial cross sections at 50 eV are normalized to the total ionization cross section of Rapp and Englander-Golden to yield absolute cross-section functions. Shapes of the partial cross sections for single and double ionization are difficult to account for within a single-particle picture. Comparison of the Xe/sup +/ data with 4d partial photoionization cross-section measurements indicates the important role played by many-body effects in describing electron-impact ionization of high-Z atoms.

  18. 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.

  19. 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

  20. 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. PMID:23673620