WorldWideScience

Sample records for intermediate ionization states

  1. Mass-analyzed threshold ionization spectroscopy of 1-bromopropane through dissociative intermediate states

    Science.gov (United States)

    Zhang, Song; Wang, Yanmei; Tang, Bifeng; Zheng, Qiusha; Zhang, Bing

    2006-02-01

    One-color two-photon ionization of 1-bromopropane, resulting in the 1-C 3H 7Br + ions in the X2E and X2E electronic states, is investigated using mass-analyzed threshold ionization (MATI) spectroscopy. The adiabatic ionization energies of two spin states are found to be 82 257 ± 5 and 84 823 ± 5 cm -1, respectively. The two-photon MATI spectrum exhibits an extensive vibrational structure. The active modes, including the C-Br stretching, the CH 2-Br wagging, the CH 2 and the CH 3 rocking modes, are observed and reliable values for these vibrational frequencies are obtained. We have also performed ab initio and density functional calculations, which provide interpretation for our experimental finding.

  2. Intermediate state dependence of the photoelectron circular dichroism of fenchone observed via femtosecond resonance-enhanced multi-photon ionization

    Science.gov (United States)

    Kastner, Alexander; Ring, Tom; Krüger, Bastian C.; Park, G. Barratt; Schäfer, Tim; Senftleben, Arne; Baumert, Thomas

    2017-07-01

    The intermediate state dependence of photoelectron circular dichroism (PECD) in resonance-enhanced multi-photon ionization of fenchone in the gas phase is experimentally studied. By scanning the excitation wavelength from 359 to 431 nm, we simultaneously excite up to three electronically distinct resonances. In the PECD experiment performed with a broadband femtosecond laser, their respective contributions to the photoelectron spectrum can be resolved. High-resolution spectroscopy allows us to identify two of the resonances as belonging to the B- and C-bands, which involve excitation to states with 3s and 3p Rydberg character, respectively. We observe a sign change in the PECD signal, depending on which electronic state is used as an intermediate, and are able to identify two differently behaving contributions within the C-band. Scanning the laser wavelength reveals a decrease of PECD magnitude with increasing photoelectron energy for the 3s state. Combining the results of high-resolution spectroscopy and femtosecond experiment, the adiabatic ionization potential of fenchone is determined to be I PaF e n =(8.49 ±0.06 ) eV.

  3. Intermediate- and High-Velocity Ionized Gas toward zeta Orionis

    CERN Document Server

    Welty, D E; Raymond, J C; Mallouris, C; York, D G

    2002-01-01

    We combine UV spectra obtained with the HST/GHRS echelle, IMAPS, and Copernicus to study the abundances and physical conditions in the predominantly ionized gas seen at high (-105 to -65 km/s) and intermediate velocities (-60 to -10 km/s) toward zeta Ori. We have high resolution (FWHM ~ 3.3-4.5 km/s) and/or high S/N spectra for at least two significant ions of C, N, Al, Si, S, and Fe -- enabling accurate estimates for both the total N(H II) and the elemental depletions. C, N, and S have essentially solar relative abundances; Al, Si, and Fe appear to be depleted by about 0.8, 0.3-0.4, and 0.95 dex, respectively. While various ion ratios would be consistent with collisional ionization equilibrium (CIE) for T ~ 25,000-80,000 K, the widths of individual high-velocity absorption components indicate that T ~ 9000 K -- so the gas is not in CIE. Analysis of the C II fine-structure excitation equilibrium yields estimated densities (n_e ~ n_H ~ 0.1-0.2 cm^{-3}), thermal pressures (2 n_H T ~ 2000-4000 cm^{-3}K), and thi...

  4. Ionization States of galaxies: Evolution, SFR-M_star-Z Dependence, and Ionizing Photon Escape

    CERN Document Server

    Nakajima, Kimihiko

    2013-01-01

    We present a systematic study for ionization states of galaxies at z=0-3 with ~140,000 SDSS galaxies and 108 intermediate to high redshift galaxies from the literature, using an ionization-parameter sensitive line ratio of [OIII]5007/[OII]3727 and photoionization models. We confirm that z=2-3 galaxies show an [OIII]/[OII] ratio significantly higher than typical local galaxies by a factor of >~10, and the photoionization models reveal that these high-z galaxies have an ionization parameter of log(qion/cm s^{-1})~7.6-9.0, a factor of ~4-10 higher than local galaxies. For galaxies at any redshifts, we identify a correlation between the [OIII]/[OII] ratio and galaxy global properties of star-formation rate (SFR), stellar mass (M_star), and metallicity (Z). We extend the fundamental metallicity relation (FMR; Mannucci et al. 2010; Lara-lopez et al. 2010), and develop the fundamental ionization relation (FIR), a four-dimensional relation of ionization parameter, SFR, M_star, and Z. The intermediate and high-z galax...

  5. The intermediate state in Paul

    Directory of Open Access Journals (Sweden)

    N. S. L. Fryer

    1987-01-01

    Full Text Available The point of view taken in this paper is that the apostle Paul envisions, between death and the resurrection of the body at the Parousia, an interim period during which the disembodied soul is in the immediate presence of Christ, though in a state of 'nakedness'. The background of Paul's view lies neither in contemporary Hellenistic religious-philosophical speculations nor in 'late-Judaism'. Two crucial 'forces' in particular moulded his perspective, viz the teachings of Jesus and His own rapture to 'Paradise'.

  6. Intermediate ionization continua for double charge exchange at high impact energies

    Science.gov (United States)

    Belkić, D.ževad

    1993-05-01

    We investigate the problem of two-electron capture from heliumlike atomic systems by bare nuclei ZP+(ZTe1,e2)i-->(ZPe1,e2)f+ZT at high incident energies, using the four-body formalism of the first- and second-order theories. Our goal is to establish the relative importance of the intermediate ionization continua of the two electrons in comparison with the usual direct path of the double electron transfer. For this purpose we presently introduce the boundary-corrected continuum-intermediate-state (BCIS) approximation, which preserves all the features of two-electron capture as a genuine four-body problem. The proposed second-order theory provides a fully adequate description of the fact that, in an intermediate stage of collision, both electrons move in the field of the two Coulomb centers. The previously devised boundary-corrected first Born (CB1) approximation can be obtained as a further simplification of the BCIS model if the invoked two-electron Coulomb waves are replaced by their long-range logarithmic phase factors defined in terms of the corresponding interaggregate separation R. The BCIS method is implemented on the symmetric resonant double charge exchange in collisions between α particles and He(1s2) at impact energies E>=900 keV. The obtained results for the differential and total cross sections are compared with the available experimental data and satisfactory agreement is recorded. As the incident energy increases, a dramatic improvement is obtained in going from the CB1 to the BCIS approximation, since the latter closely follows the measurement, whereas the former overestimates the observed total cross sections by two orders of magnitude.

  7. q-Gamow States for intermediate energies

    CERN Document Server

    Plastino, A; Zamora, D J

    2016-01-01

    In a recent paper [Nuc. Phys. A {\\bf 948}, (2016) 19] we have demonstrated the possible existence of Tsallis' q-Gamow states. Now, accelerators' experimental evidence for Tsallis' distributions has been ascertained only at very high energies. Here, instead, we develop a different set of q-Gamow states for which the associated q-Breit-Wigner distribution could easily be found at intermediate energies, for which accelerators are available at many locations. In this context, it should be strongly emphasized [Physica A {\\bf 388} (2009) 601] that, empirically, one never exactly and unambiguously "detects" pure Gaussians, but rather q-Gaussians. A prediction is made via Eq.(3.30)

  8. Excitation and ionization of hydrogen Rydberg states in a plasma.

    Science.gov (United States)

    Glab, W; Nayfeh, M H

    1982-08-01

    Hydrogen Rydberg states in a hydrogen plasma are optically excited from the plasma-excited n = 2 state. Photoionization and optogalvanic ionization, which is due to electron-impact ionization and other collisional processes, are used to monitor the Rydberg states. This process may be used to study collisional ionization of the Rydberg states.

  9. q-Gamow states for intermediate energies

    Energy Technology Data Exchange (ETDEWEB)

    Plastino, A. [La Plata National University and Argentina' s National Research Council, (IFLP-CCT-CONICET)-C. C. 727, 1900 La Plata (Argentina); Rocca, M.C., E-mail: mariocarlosrocca@gmail.com [La Plata National University and Argentina' s National Research Council, (IFLP-CCT-CONICET)-C. C. 727, 1900 La Plata (Argentina); Ferri, G.L. [Fac. de C. Exactas, National University La Pampa, Peru y Uruguay, Santa Rosa, La Pampa (Argentina); Zamora, D.J. [La Plata National University and Argentina' s National Research Council, (IFLP-CCT-CONICET)-C. C. 727, 1900 La Plata (Argentina)

    2016-11-15

    In a recent paper Plastino and Rocca (2016) [18] we have demonstrated the possible existence of Tsallis' q-Gamow states. Now, accelerators' experimental evidence for Tsallis' distributions has been ascertained only at very high energies. Here, instead, we develop a different set of q-Gamow states for which the associated q-Breit–Wigner distribution could easily be found at intermediate energies, for which accelerators are available at many locations. In this context, it should be strongly emphasized Vignat and Plastino (2009) [2] that, empirically, one never exactly and unambiguously “detects” pure Gaussians, but rather q-Gaussians. A prediction is made via Eq. (3.4).

  10. Intermediate state trapping of a voltage sensor

    DEFF Research Database (Denmark)

    Lacroix, Jérôme J; Pless, Stephan Alexander; Maragliano, Luca

    2012-01-01

    Voltage sensor domains (VSDs) regulate ion channels and enzymes by undergoing conformational changes depending on membrane electrical signals. The molecular mechanisms underlying the VSD transitions are not fully understood. Here, we show that some mutations of I241 in the S1 segment of the Shaker...... Kv channel positively shift the voltage dependence of the VSD movement and alter the functional coupling between VSD and pore domains. Among the I241 mutants, I241W immobilized the VSD movement during activation and deactivation, approximately halfway between the resting and active states......, and drastically shifted the voltage activation of the ionic conductance. This phenotype, which is consistent with a stabilization of an intermediate VSD conformation by the I241W mutation, was diminished by the charge-conserving R2K mutation but not by the charge-neutralizing R2Q mutation. Interestingly, most...

  11. Thermal ionization of Cs Rydberg states

    Science.gov (United States)

    Glukhov, I. L.; Ovsiannikov, V. D.

    2009-01-01

    Rates Pnl of photoionization from Rydberg ns-, np-, nd-states of a valence electron in Cs, induced by black-body radiation, were calculated on the basis of the modified Fues model potential method. The numerical data were approximated with a three-term expression which reproduces in a simple analytical form the dependence of Pnl on the ambient temperature T and on the principal quantum number n. The comparison between approximate and exactly calculated values of the thermal ionization rate demonstrates the applicability of the proposed approximation for highly excited states with n from 20 to 100 in a wide temperature range of T from 100 to 10,000 K. We present coefficients of this approximation for the s-, p- and d-series of Rydberg states.

  12. Excitation and ionization of hydrogen Rydberg states in a plasma

    Energy Technology Data Exchange (ETDEWEB)

    Glab, W.; Nayfeh, M.H.

    1982-08-01

    Hydrogen Rydberg states in a hydrogen plasma are optically excited from the plasma-excited n = 2 state. Photoionization and optogalvanic, which are due to electron-impact ionization and other collisional processes, are used to monitor the Rydberg states. This process may be used to study collisional ionization of the Rydberg states.

  13. Fully differential cross sections for low to intermediate energy perpendicular plane ionization of xenon atoms

    Energy Technology Data Exchange (ETDEWEB)

    Purohit, G., E-mail: ghanshyam.purohit@spsu.ac.in; Singh, P.; Patidar, V.

    2014-12-15

    Highlights: • We present triply differential cross section (TDCS) results for the perpendicular plane ionization of xenon atoms. • The TDCS has been calculated in the modified distorted wave Born approximation formalism. • The effects of target polarization and post collision interaction have also been included. • The polarization potential, higher order effects and PCI has been found to be useful in the description of TDCS. - Abstract: Triple differential cross section (TDCS) results are reported for the perpendicular plane ionization of Xe (5p) at incident electron energies 5 eV, 10 eV, 20 eV, and 40 eV above ionization potential. The modified distorted wave Born approximation formalism with first as well as the second order Born terms has been used to calculate the TDCS. Effects of target polarization and post collision interaction have also been included. We compare the (e, 2e) TDCS results of our calculation with the recent available experimental data and theoretical results and discuss the process contributing to structure seen in the differential cross section. It has been observed from the present study that the second order effect and target polarization make significant contribution in description of collision dynamics of xenon at the low and intermediate energy for the perpendicular emission of electrons.

  14. Commercial intermediate pressure MALDI ion mobility spectrometry mass spectrometer capable of producing highly charged laserspray ionization ions.

    Science.gov (United States)

    Inutan, Ellen D; Wang, Beixi; Trimpin, Sarah

    2011-02-01

    The first examples of highly charged ions observed under intermediate pressure (IP) vacuum conditions are reported using laser ablation of matrix/analyte mixtures. The method and results are similar to those obtained at atmospheric pressure (AP) using laserspray ionization (LSI) and/or matrix assisted inlet ionization (MAII). Electrospray ionization (ESI), LSI, and MAII are methods operating at AP and have been shown, with or without the use of a voltage or a laser, to produce highly charged ions with very similar ion abundance and charge states. A commercial matrix-assisted laser desorption/ionization ion mobility spectrometry (IMS) mass spectrometry (MS) instrument (SYNAPT G2) was used for the IP developments. The necessary conditions for producing highly charged ions of peptides and small proteins at IP appear to be a pressure drop region and the use of suitable matrixes and laser fluence. Ionization to produce these highly charged ions under the low pressure conditions of IP does not require specific heating or a special inlet ion transfer region. However, under the current setup, ubiquitin is the highest molecular weight protein observed. These findings are in accord with the need to provide thermal energy in the pressure drop region, similar to LSI and MAII, to improve sensitivity and extend the types of compounds that produce highly charged ions. The practical utility of IP-LSI in combination with IMS-MS is demonstrated for the analysis of model mixtures composed of a lipid, peptides, and a protein. Further, endogenous multiply charged peptides are observed directly from delipified mouse brain tissue with drift time distributions that are nearly identical in appearance to those obtained from a synthesized neuropeptide standard analyzed by either LSI- or ESI-IMS-MS at AP. Efficient solvent-free gas-phase separation enabled by the IMS dimension separates the multiply charged peptides from lipids that remained on the delipified tissue. Lipid and peptide

  15. Theory of warm ionized gases: equation of state and kinetic Schottky anomaly.

    Science.gov (United States)

    Capolupo, A; Giampaolo, S M; Illuminati, F

    2013-10-01

    Based on accurate Lennard-Jones-type interaction potentials, we derive a closed set of state equations for the description of warm atomic gases in the presence of ionization processes. The specific heat is predicted to exhibit peaks in correspondence to single and multiple ionizations. Such kinetic analog in atomic gases of the Schottky anomaly in solids is enhanced at intermediate and low atomic densities. The case of adiabatic compression of noble gases is analyzed in detail and the implications on sonoluminescence are discussed. In particular, the predicted plasma electron density in a sonoluminescent bubble turns out to be in good agreement with the value measured in recent experiments.

  16. Theory of warm ionized gases: equation of state and kinetic Schottky anomaly

    CERN Document Server

    Capolupo, Antonio; Illuminati, Fabrizio

    2013-01-01

    Based on accurate Lennard-Jones type interaction potentials, we derive a closed set of state equations for the description of warm atomic gases in the presence of ionization processes. The specific heat is predicted to exhibit peaks in correspondence to single and multiple ionizations. Such kinetic analogue in atomic gases of the Schottky anomaly in solids is enhanced at intermediate and low atomic densities. The case of adiabatic compression of noble gases is analyzed in detail and the implications on sonoluminescence are discussed.

  17. Neutrino Oscillations in Intermediate States.II -- Wave Packets

    CERN Document Server

    Asahara, A; Shimomura, T; Yabuki, T

    2004-01-01

    We analyze oscillations of intermediate neutrinos in terms of scattering of particles described by Gaussian wave packets. We study a scalar model as in the previous paper (I) but in realistic situations, where two particles of the initial state and final state are wave packets and neutrinos are in the intermediate state. The oscillation of the intermediate neutrino is found from the time evolution of the total transition probability between the initial state and final state. The effect of a finite lifetime and a finite relaxation time $\\tau$ are also studied. We find that the oscillation pattern depends on the magnitude of wave packet sizes of particles in the initial state and final state and the lifetime of the initial particle. For $\\Delta m^2=10^{-2}$ eV$^2$, the oscillation probability deviates from the standard formula, if the wave packet sizes are around $10^{-13}$ m for 0.4 MeV neutrino.

  18. On the Representation of Intermediate States in the Velocity Basis

    CERN Document Server

    Tay, B A

    2002-01-01

    We explore the implication of applying the "minimally complex" representation to study intermediate states. We propose an interpretation of the "velocity variables" used in the "minimally complex" representation so as to make the construction consistent with the kinematics of the underlying scattering process under consideration. We also show that this choice of representation advocates the use of velocity basis over momentum basis in studying intermediate states.

  19. Alignment dependence in above-threshold ionization of H2+: role of intermediate resonances

    DEFF Research Database (Denmark)

    Hernández, Jorge Fernández; Madsen, Lars Bojer

    2009-01-01

    sσg) ground and the 2Σ+u(2pσu) first excited electronic states, in laser pulses of seven optical cycles (19 fs) with a wavelength of 800 nm and for different intensities. The numerical procedure combines two different techniques, a grid-based split-step method to propagate the wave packet during......We report a 3D ab initio investigation of the dependence of above-threshold ionization of the H2+ molecule on the orientation of a linearly polarized intense femtosecond laser pulse with respect to the molecular axis. The calculations were performed in the frozen nuclei approximation for the 2Σ+g(1...... the pulse, and a bound and scattering states B-spline basis set calculation to extract the information from the former. We show that the orientation dependence of the above-threshold ionization spectra is very sensitive to the intensity of the field and to the final electron energy. For some intensities...

  20. On the polarization of fermion in an intermediate state

    CERN Document Server

    Kaloshin, A E

    2016-01-01

    We show that calculation of a scattered fermion polarization (for a pure initial state) is equivalent to the problem of looking for complete polarization axis of bispinor. This gives the method for calculation of polarization applicable for both final and intermediate state fermions. We suggest to use fermion propagator (bare or dressed) in form of spectral representation, which gives the orthogonal off-shell energy projectors. This representation leads to covariant separation of particle and antiparticle contributions and gives a natural definition for polarization of intermediate state fermion.

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

    Science.gov (United States)

    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.

  2. The effects of doubly excited states on ionization balance

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    The effects of highly doubly excited states on ionization balance are investigated. In the calculation, A Collisional-Radiative model in Detailed-Configuration-Accounting (DCA) is applied to population calculations for NLTE plasmas. Configuration-averaged rate coefficients that needed in the rate equations are obtained based on the first order perturbation theory. The Hatree-Fock-Slater self-consistent-field method is used to calculate the electron wave functions. The mean ionization stage of high-Z plasma Lu is presented. The comparison shows that the mean ionization stage increases more than 3 stages when doubly excited states 5l6l' and 5l5l' are not included in the population calculations.

  3. Ionization state of cosmic hydrogen by early stars and quasars

    Institute of Scientific and Technical Information of China (English)

    Xiao-Chun Mao

    2009-01-01

    Cosmic hydrogen is reionized and maintained in its highly ionized state by the ultraviolet emission attributed to an early generation of stars and quasars. The Lyα opacity observed in absorption spectra of high-redshift quasars permits more stringent constraints on the ionization state of cosmic hydrogen. Based on density perturbation and structure formation theory, we develop an analytic model to trace the evolution of the ionization state in the post-overlap epoch of reionization, in which the bias factor is taken into ac-count. For quasars, we represent an improved luminosity function by utilizing a hybrid approach for the halo formation rate that is in reasonable agreement with the published measurements at 2 z 6. Comparison with the classic Press-Schechter mass function of dark matter halos, we demonstrate that the biased mass distribution indeed enhances star formation efficiency in the overdense environment by more than 25 per cent following the overlap of ionized bubbles. In addition, an alternative way is introduced to derive robust estimates of the mean free path for ionizing photons. In our model, star-forming galax-ies are likely to dominate the ionizing background radiation beyond z = 3, and quasars contribute equally above a redshift of z ~ 2.5. From 5 ≤ z ≤ 6, the lack of evolution in photoionization rate can thus be explained by the relatively flat evolution in star formation efficiency, although the mean free path of ionizing photons increases rapidly. Moreover, in the redshift interval z ~ 2 - 6, the expected mean free path and Gunn-Peterson optical depth obviously evolve by a factor of ~ 500 and ~ 50 respectively. We find that the rel-ative values of critical overdensities for hydrogen ionization and collapse could be 430% at z ≈ 2 and 2% at z ≈ 6, suggesting a rapid overlap process in the overdense regions around instant quasars following reionization. We further illustrate that the absolute esti-mates of the fraction of neutral

  4. Properties and Application of Intermediate Entangled State Representation

    Institute of Scientific and Technical Information of China (English)

    PANG Qian-Jun

    2005-01-01

    @@ We introduce the intermediate entangled state |α> and discuss its properties of|α>λ,ν. We obtain the expression of the two-mode Wigner operator in the |α>λ,ν representation. We find that the projection operator |α>λ,νλ,ν λ,ν representation, we successfully obtain the eigenvalues and eigenvectors of a bipartite system coupled in a quite complicated way.

  5. Protonation states and catalysis: Molecular dynamics studies of intermediates in tryptophan synthase.

    Science.gov (United States)

    Huang, Yu-Ming M; You, Wanli; Caulkins, Bethany G; Dunn, Michael F; Mueller, Leonard J; Chang, Chia-En A

    2016-01-01

    The importance of protonation states and proton transfer in pyridoxal 5'-phosphate (PLP)-chemistry can hardly be overstated. Although experimental approaches to investigate pKa values can provide general guidance for assigning proton locations, only static pictures of the chemical species are available. To obtain the overall protein dynamics for the interpretation of detailed enzyme catalysis in this study, guided by information from solid-state NMR, we performed molecular dynamics (MD) simulations for the PLP-dependent enzyme tryptophan synthase (TRPS), whose catalytic mechanism features multiple quasi-stable intermediates. The primary objective of this work is to elucidate how the position of a single proton on the reacting substrate affects local and global protein dynamics during the catalytic cycle. In general, proteins create a chemical environment and an ensemble of conformational motions to recognize different substrates with different protonations. The study of these interactions in TRPS shows that functional groups on the reacting substrate, such as the phosphoryl group, pyridine nitrogen, phenolic oxygen and carboxyl group, of each PLP-bound intermediate play a crucial role in constructing an appropriate molecular interface with TRPS. In particular, the protonation states of the ionizable groups on the PLP cofactor may enhance or weaken the attractions between the enzyme and substrate. In addition, remodulation of the charge distribution for the intermediates may help generate a suitable environment for chemical reactions. The results of our study enhance knowledge of protonation states for several PLP intermediates and help to elucidate their effects on protein dynamics in the function of TRPS and other PLP-dependent enzymes.

  6. Calculation of FDCS for the low and intermediate energy ionization of water molecules

    Science.gov (United States)

    Purohit, G.; Singh, P.; Dom, A.; Patidar, V.

    2015-09-01

    Triply differential cross sections for the electron induced ionization of the 3a1 and 1b1 orbitals of the water molecule are calculated within the distorted wave Born approximation. The distorted wave functions are numerically calculated by modelling both the initial and the final channels whereas single-center Slater type wave functions are used for describing the molecular target. A good agreement with the existing experimental data is obtained.

  7. [Electron transfer, ionization, and excitation in atomic collisions]. [Pennsylvania State Univ

    Energy Technology Data Exchange (ETDEWEB)

    1992-01-01

    Fundamental processes of electron transfer, ionization, and excitation in ion-atom and ion-ion collisions are studied. Attention is focussed on one- and two-electron systems and, more recently, quasi-one-electron systems whose electron-target-ion core can be accurately modeled by one-electron potentials. The basic computational approaches can then be taken with few, if any, approximations, and the underlying collisional mechanisms can be more clearly revealed. At intermediate collision energies (e.g., proton energies for p-He[sup +] collisions on the order of 100 kilo-electron volts), many electronic states are strongly coupled during the collision, a coupled-state approach, such as a coupled-Sturmian-pseudostate approach, is appropriate. At higher collision energies (million electron-volt energies) the coupling is weaker with, however, many more states being coupled together, so that high-order perturbation theory is essential.

  8. Theoretical study of the fragmentation pathways of norbornane in its doubly ionized ground state.

    Science.gov (United States)

    Knippenberg, Stefan; Hajgató, Balazs; François, Jean-Pierre; Deleuze, Michael S

    2007-10-25

    The potential energy surface of norbornane in its dicationic singlet ground state has been investigated in detail using density functional theory along with the nonlocal hybrid and gradient-corrected Becke three-parameter Lee-Yang-Parr functional (B3LYP) and the cc-pVDZ basis set. For the sake of more quantitative insight into the chemical reactions induced by double ionization of norbornane, this study was supplemented by a calculation of basic thermodynamic state functions coupled to a focal point analysis of energy differences obtained using correlation treatments and basis sets of improving quality, enabling an extrapolation of these energy differences at the CCSD(T) level in the limit of an asymptotically complete (cc-pV infinity Z) basis set. Our results demonstrate the likelihood of an ultrafast intramolecular rearrangement of the saturated hydrocarbon cage after a sudden removal of two electrons into a kinetically metastable five-membered cyclic C5H8+-CH+-CH3 intermediate, prior to a Coulomb explosion into C5H7+=CH2 and CH3+ fragments, which might explain a tremendous rise of electron-impact (e, 2e) ionization cross sections at electron binding energies around the double-ionization threshold. The first step is straightforward and strongly exothermic (DeltaH298 = -114.0 kcal mol-1). The second step is also exothermic (DeltaH298 = -10.2 kcal mol-1) but requires an activation enthalpy (DeltaH298) of 39.7 kcal/mol. The various factors governing the structure of this intermediate, such as electrostatic interactions, inductive effects, cyclic strains, and methylenic hyperconjugation interactions, are discussed in detail.

  9. Magnetic Field Strength in an Intermediate-velocity Ionized Filament in the First Galactic Quadrant

    Science.gov (United States)

    Stil, J. M.; Hryhoriw, A.

    2016-08-01

    We investigate the magnetic field in an intermediate-velocity filament for which the Hα intensity in the WHAM survey correlates with excess Faraday rotation of extragalactic radio sources over the length of the filament from b ≈ 20° to b ≈ 55°. The density-weighted mean magnetic field is 2.8 +/- 0.8 μ {{G}}, derived from rotation measures and an empirical relation between Hα emission measure and dispersion measure from Berkhuijsen et al. In view of the uncertainties in the derived magnetic field strength, we propose an alternative use of the available data, rotation measure, and emission measure, to derive a lower limit to the Alfvén speed, weighted by electron density {n}e3/2. We find lower limits to the Alfvén speed that are comparable to or larger than the sound speed in a {10}4 {{K}} plasma, and conclude that the magnetic field is dynamically important. We discuss the role of intermediate-velocity gas as a locus of Faraday rotation in the interstellar medium, and propose that this lower limit to the Alfvén speed may also be applicable to Faraday rotation by galaxy clusters.

  10. Magnetic field strength in an intermediate-velocity ionized filament in the First Galactic Quadrant

    CERN Document Server

    Stil, Jeroen M

    2016-01-01

    We investigate the magnetic field in an intermediate-velocity filament for which the H$\\alpha$ intensity in the WHAM survey correlates with excess Faraday rotation of extragalactic radio sources over the length of the filament from b ~ 20 degr. to b ~ 55 degr. The density-weighted mean magnetic field is 2.8 +/- 0.8 microgauss, derived from rotation measures and an empirical relation between H-alpha emission measure and dispersion measure from Berkhuijsen et al. (2006). In view of the uncertainties in the derived magnetic field strength, we propose an alternative use of the available data, rotation measure and emission measure, to derive a lower limit to the Alfven speed, weighted by electron density n_e^1.5. We find lower limits to the Alfven speed that are comparable to, or larger than the sound speed in a 10^4 K plasma, and conclude that the magnetic field is dynamically important. We discuss the role of intermediate-velocity gas as a locus of Faraday rotation in the interstellar medium, and propose this lo...

  11. Evolutionary Optimization of State Selective Field Ionization for Quantum Computing

    CERN Document Server

    Jones, M L; Majeed, H O; Varcoe, B T H

    2009-01-01

    State selective field ionization detection techniques in physics require a specific progression through a complicated atomic state space to optimize state selectivity and overall efficiency. For large principle quantum number n, the theoretical models become computationally intractable and any results are often rendered irrelevant by small deviations from ideal experimental conditions, for example external electromagnetic fields. Several different proposals for quantum information processing rely heavily upon the quality of these detectors. In this paper, we show a proof of principle that it is possible to optimize experimental field profiles in situ by running a genetic algorithm to control aspects of the experiment itself. A simple experiment produced novel results that are consistent with analyses of existing results.

  12. Multiphoton ionization of chlorine: the 3Σ u state

    Science.gov (United States)

    Zafiropulos, V.; Fu, G. S.; Hontzopoulos, E.; Fotakis, C.; Castex, M. C.

    1991-04-01

    This work presents the three-photon resonant, one-photon (3 + 1) ionization spectrum of chlorine in the region of 73170-79360 cm -1 above the neutral ground state. In contrast to one-photon experiments, an intense double-peaked band progression attributed to 35Cl 2 and 35Cl 37Cl is observed in this energy region and assigned to a 3Σ u(υ' = 0-7) ← X 1Σ g+ (υ″ = 0) Rydberg excitation. The molecular constants of the 3Σ u Rydberg well as determined from the vibrational progression are T e = 74013 (5) cm -1, ω e = 628 (3) cm -1 and ω eχ e =4.4 (6) cm -1.

  13. Low and High Ionization Absorption Properties of Mg II Absorption-Selected Galaxies at Intermediate Redshifts; 1, General Properties

    CERN Document Server

    Churchill, C W; Charlton, J C; Jannuzi, B T; Kirhakos, S; Steidel, C C; Schneider, D P; Churchill, Christopher W.; Mellon, Richard R.; Charlton, Jane C.; Jannuzi, Buell T.; Kirhakos, Sofia; Steidel, Charles C.; Schneider, Donald P.

    2000-01-01

    We present extensive metal-line absorption properties for 45 absorption systems that were selected by their Mg II absorption at redshifts between 0.4 and 1.4. For each system the properties of several chemical species are determined, including a wide range of ionization conditions. In the optical, the absorption systems have been observed at ~6 km/s resolution with HIRES/Keck, which covered Mg II, several Fe II transitions, Mg I, and in some cases (depending upon redshift), Ca II, Ti II, Mn II, and Al III. Ultraviolet, lower resolution (~230 km/s) Faint Object Spectrograph data (1600 - 3275 Ang) were obtained from the Hubble Space Telescope archive. These spectra covered Al II, Al III, Si II, Si III, Si IV, C II, C III, C IV, N V, O VI, and several Lyman series transitions, with coverage dependent upon the absorption system redshift. From these data, we infer that Mg II absorbing galaxies at intermediate redshifts have multiphase gaseous structures.

  14. Optical-optical double-resonant multiphoton ionization spectra of Rydberg states of nitrogen dioxide

    Institute of Scientific and Technical Information of China (English)

    Zhang Gui-Yin; Zhang Lian-Shui; Sun Bo; Han Xiao-Feng; Yu Wei

    2005-01-01

    The optical-optical double-resonant multiphoton ionization(OODR-MPI) technique has been applied to the study of the Rydberg states of nitrogen dioxide. The results show that ,althougy the OODR-MPI spectra of NO2 are composed of regular progression bands at different pump laser intensities, their ionization pathways are different.The NO2 mollecule is ionized through the (3+1+1)double-resonant process as the pump laser intensity is in a high value, or else it is through the (1+2+1)rpocess.The final resonant states in the two ionizing processes have been attributed to different Rydberg states.

  15. Continuous Flow-Resonance Raman Spectroscopy of an Intermediate Redox State of Cytochrome-C

    DEFF Research Database (Denmark)

    Forster, M.; Hester, R. E.; Cartling, B.

    1982-01-01

    An intermediate redox state of cytochrome c at alkaline pH, generated upon rapid reduction by sodium dithionite, has been observed by resonance Raman (RR) spectroscopy in combination with the continuous flow technique. The RR spectrum of the intermediate state is reported for excitation both...

  16. Field ionization process of Eu 4f76snp Rydberg states

    Institute of Scientific and Technical Information of China (English)

    张婧; 沈礼; 戴长建

    2015-01-01

    The field ionization process of the Eu 4f76snp Rydberg states, converging to the first ionization limit, 4f76s 9S4, is systematically investigated. The spectra of the Eu 4f76snp Rydberg states are populated with three-step laser excitation, and detected by electric field ionization (EFI) method. Two different kinds of the EFI pulses are applied after laser excitation to observe the possible impacts on the EFI process. The exact EFI ionization thresholds for the 4f76snp Rydberg states can be determined by observing the corresponding EFI spectra. In particular, some structures above the EFI threshold are found in the EFI spectra, which may be interpreted as the effect from black body radiation (BBR). Finally, the scaling law of the EFI threshold for the Eu 4f76snp Rydberg states with the effective quantum number is built.

  17. Switching between dynamic states in intermediate-length Josephson junctions

    DEFF Research Database (Denmark)

    Pagano, S.; Sørensen, Mads Peter; Parmentier, R. D.

    1986-01-01

    The appearance of zero-field steps (ZFS’s) in the current-voltage characteristics of intermediate-length overlap-geometry Josephson tunnel junctions described by a perturbed sine-Gordon equation (PSGE) is associated with the growth of parametrically excited instabilities of the McCumber background...... curve (MCB). A linear stability analysis of a McCumber solution of the PSGE in the asymptotic linear region of the MCB and in the absence of magnetic field yields a Hill’s equation which predicts how the number, locations, and widths of the instability regions depend on the junction parameters....... A numerical integration of the PSGE in terms of truncated series of time-dependent Fourier spatial modes verifies that the parametrically excited instabilities of the MCB evolve into the fluxon oscillations characteristic of the ZFS’s. An approximate analysis of the Fourier mode equations in the presence...

  18. Helicity amplitudes of di-photons production at the LHC with scalar unparticles intermediate states

    Energy Technology Data Exchange (ETDEWEB)

    Aliane, I.; Mebarki, N.; Haouchine, M. [Laboratoire de Physique Mathematique et Subatomique, Mentouri University, Constantine (Algeria)

    2012-06-27

    The helecity amplitudes of the subprocess gg{yields}{gamma}{gamma} via scalar unparticles intermediate states are calculated. The differential cross section is compared to that of the standard model. Phenomenological implications are also discussed.

  19. State Register of Sources of Ionizing Radiation and Occupational exposure

    CERN Document Server

    2002-01-01

    One of main tasks of Radiation Protection Centre is to collect, process, systematize, store and provide the data on sources of ionizing radiation and occupational exposures. The number of sources in 2002 is provided and compared with previous year. Distribution of workers according to the type of practice is compared with previous year. Distribution of sealed sources and x-ray machines according their use is presented.

  20. Instantaneous charge state of Uranium projectiles in fully ionized plasmas from energy loss experiments

    CERN Document Server

    Morales, Roberto; Casas, David

    2016-01-01

    The instantaneous charge state of uranium ions traveling through a fully ionized hydrogen plasma has been theoretically studied and compared with one of the first energy loss experiments in plasmas, carried out at GSI-Darmstadt by Hoffmann \\textit{et al.} in the 90's. For this purpose, two different methods to estimate the instantaneous charge state of the projectile have been employed: (1) rate equations using ionization and recombination cross sections, and (2) equilibrium charge state formulas for plasmas. Also, the equilibrium charge state has been obtained using these ionization and recombination cross sections, and compared with the former equilibrium formulas. The equilibrium charge state of projectiles in plasmas is not always reached, it depends mainly on the projectile velocity and the plasma density. Therefore, a non-equilibrium or an instantaneous description of the projectile charge is necessary. The charge state of projectile ions cannot be measured, except after exiting the target, and experime...

  1. The ionization state in a gas with a non-Maxwellian electron distribution

    Science.gov (United States)

    Owocki, S. P.; Scudder, J. D.

    1981-01-01

    The inferred degree of ionization of a gas is often used in astrophysics as a diagnostic of the gas temperature. In the solar transition region and corona, in the outer atmospheres of cool stars, and in some portions of the interstellar medium), photoionization can be neglected, and the ionization state is fixed by the balance between ion-electron collisional ionization and dielectronic and/or radiative recombination. Under these conditions, higher degrees of ionization result from higher energy ion-electron collisions which are common in a high temperature gas. Actually, ionization occurs through collisions with electrons that have kinetic energies greater than the ionization potential of the given ion, and so the ionization rate depends on to the number of such high-energy electrons in the tail of the electron velocity distribution. High-velocity electrons move across large distances between effective coulomb collisions, and, in a strong temperature or density gradient, the tail can be overpopulated relative to Maxwell-Boltzmann distribution of equivalent energy density. Thus, the ionization rate can also be greatly increased. These effects for a parameterized form of the electron distribution function with an enhanced high-velocity tail, namely the kappa distribution are illustrated.

  2. Intermediate-spin state and properties of LaCoO3

    NARCIS (Netherlands)

    Korotin, MA; Ezhov, SY; Solovyev, [No Value; Anisimov, [No Value; Khomskii, DI; Sawatzky, GA

    1996-01-01

    The electronic structure of the perovskite LaCoO3 for different spin states of Co ions was calculated in the local-density approximation LDA+U approach. The ground state is found to be a nonmagnetic insulator with Co ions in a low-spin state. Somewhat higher in energy, we find two intermediate-spin

  3. State Vocational Education Resource Document: Planning for the Intermediate Future.

    Science.gov (United States)

    Broadbent, William

    This report, which presents various economic and demographic data about Hawaii, is intended to assist persons responsible for the short-term planning of vocational-technical education programs in the state. The report is organized in terms of a series of potentially relevant concerns that should be considered during the educational planning…

  4. Equation of State for Shock Compressed Xenon in the Ionization Regime:ab Initio Study

    Institute of Scientific and Technical Information of China (English)

    王聪; 顾云军; 陈其峰; 贺贤土; 张平

    2012-01-01

    Quantum molecular dynamic (QMD) simulations have been applied to study the thermophysical properties of liquid xenon under dynamic compressions. The equation of state (EOS) obtained from QMD calculations are corrected according to Saha equation, and contributions from atomic ionization, which are of predominance in determining the EOS at high temperature and pressure, are considered. For the pressures below 160 GPa, the necessity in accounting for the atomic ionization has been demonstrated by the Hugoniot curve, which shows excellent agreement with previous experimental measurements, and three levels of ionization have been proved to be sufficient at this stage.

  5. Retention of intermediate polarization states in ferroelectric materials enabling memories for multi-bit data storage

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Dong; Asadi, Kamal; Blom, Paul W. M.; Leeuw, Dago M. de, E-mail: deleeuw@mpip-mainz.mpg.de [Max-Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz (Germany); Katsouras, Ilias [Holst Centre, High Tech Campus 31, 5656AE Eindhoven (Netherlands); Groen, Wilhelm A. [Holst Centre, High Tech Campus 31, 5656AE Eindhoven (Netherlands); Faculty of Aerospace Engineering, Delft University of Technology, Kluyverweg 1 2629 HS, Delft (Netherlands)

    2016-06-06

    A homogeneous ferroelectric single crystal exhibits only two remanent polarization states that are stable over time, whereas intermediate, or unsaturated, polarization states are thermodynamically instable. Commonly used ferroelectric materials however, are inhomogeneous polycrystalline thin films or ceramics. To investigate the stability of intermediate polarization states, formed upon incomplete, or partial, switching, we have systematically studied their retention in capacitors comprising two classic ferroelectric materials, viz. random copolymer of vinylidene fluoride with trifluoroethylene, P(VDF-TrFE), and Pb(Zr,Ti)O{sub 3}. Each experiment started from a discharged and electrically depolarized ferroelectric capacitor. Voltage pulses were applied to set the given polarization states. The retention was measured as a function of time at various temperatures. The intermediate polarization states are stable over time, up to the Curie temperature. We argue that the remarkable stability originates from the coexistence of effectively independent domains, with different values of polarization and coercive field. A domain growth model is derived quantitatively describing deterministic switching between the intermediate polarization states. We show that by using well-defined voltage pulses, the polarization can be set to any arbitrary value, allowing arithmetic programming. The feasibility of arithmetic programming along with the inherent stability of intermediate polarization states makes ferroelectric materials ideal candidates for multibit data storage.

  6. Identification of autoionizing states of atomic chromium for resonance photo-ionization at the ISOLDE-RILIS

    CERN Document Server

    Goodacre, T Day; Fedorovc, D; Fedosseev, V N; Marsh, B A; Molkanov, P; Rossel, R E; Rothe, S; Seiffert, C

    2015-01-01

    The resonance ionization laser ion source (RILIS) is the principal ion source of the ISOLDE radioactive beam facility based at CERN. Using the method of in-source resonance ionization spectroscopy, an optimal three-step, three-resonance photo-ionization scheme has been developed for chromium. The scheme uses an ionizing transition to one of the 14 newly observed autoionizing states. This work increases the range of ISOLDE-RILIS ionized beams to 32 chemical elements. Details of the spectroscopic studies are described and the new ionization scheme is summarized. A link to the complete version of this document will be added here following publication:

  7. Characteristics of intermediate state related to anti-Stokes luminescence of ZnO single crystals

    Science.gov (United States)

    Fujii, Katsushi; Goto, Takenari; Yao, Takafumi

    2014-06-01

    Anti-Stokes luminescence from ZnO is supposed to be a two-step two-photon absorption process with an intermediate state. The intermediate state is assumed to be a localized state with two different excited and relaxed states. One of the localized states is believed to be the well-known 2.4 eV green luminescence; the other is difficult to observe experimentally. We found an interesting 2.25 eV deep luminescence from ZnO, which has been shown to relate to anti-Stokes luminescence. The 2.25 eV yellow luminescence was observable only below the band gap excitation and through a time-resolved observation after the excitation light was turned off. The intermediate states were found to be a photo-excited donor-acceptor pair and its lattice relaxation state. The characteristics and the role of the intermediate state of ZnO related to the anti-Stokes luminescence are discussed.

  8. Spectro-Timing Study of GX 339-4 in a Hard Intermediate State

    DEFF Research Database (Denmark)

    Fürst, F.; Grinberg, V.; Tomsick, J. A.

    2016-01-01

    We present an analysis of Nuclear Spectroscopic Telescope Array observations of a hard intermediate state of the transient black hole GX 339-4 taken in 2015 January. With the source softening significantly over the course of the 1.3 day long observation we split the data into 21 sub-sets and find...

  9. Switching through intermediate states seen in a single nickel nanorod by cantilever magnetometry.

    Science.gov (United States)

    Lee, Sanggap; Moore, Eric W; Hickman, Steven A; Longenecker, Jonilyn G; Marohn, John A

    2012-04-15

    In-plane to out-of-plane magnetization switching in a single nickel nanorod affixed to an attonewton-sensitivity cantilever was studied at cryogenic temperatures. We observe multiple sharp, simultaneous transitions in cantilever frequency, dissipation, and frequency jitter associated with magnetic switching through distinct intermediate states. These findings suggest a new route for detecting magnetic fields at the nanoscale.

  10. Solvent-dependent activation of intermediate excited states in the energy relaxation pathways of spheroidene.

    Science.gov (United States)

    Maiuri, Margherita; Polli, Dario; Brida, Daniele; Lüer, Larry; LaFountain, Amy M; Fuciman, Marcel; Cogdell, Richard J; Frank, Harry A; Cerullo, Giulio

    2012-05-14

    In carotenoids internal conversion between the allowed (S(2)) and forbidden (S(1)) excited states occurs on a sub-picosecond timescale; the involvement of an intermediate excited state(s) (S(x)) mediating the process is controversial. Here we use high time resolution (sub-20 fs) broadband (1.2-2.5 eV) pump-probe spectroscopy to study the solvent dependence of excited state dynamics of spheroidene, a naturally-occurring carotenoid with ten conjugated double bonds. In the high polarizability solvent, CS(2), we find no evidence of an intermediate state, and the traditional three-level (S(0), S(1), S(2)) model fully accounts for the S(2)→ S(1) process. On the other hand, in the low polarizability solvent, cyclohexane, we find that rapid (~30 fs) relaxation to an intermediate state, S(x), lying between S(1) and S(2) is required to account for the data. We interpret these results as due to a shift of the S(2) energy, which positions the state above or below the energy of S(x) in response to changes in solvent polarizability. This journal is © the Owner Societies 2012

  11. Buccal transport of flecainide and sotalol : effect of a bile salt and ionization state

    NARCIS (Netherlands)

    Deneer, VHM; Drese, GB; Roemele, PEH; Verhoef, JC; Lie-A-Huen, L; Kingma, JH; Brouwers, JRBJ; Junginger, HE

    2002-01-01

    Patients with infrequent attacks of supraventricular arrhythmia may benefit from self administration of antiarrhythmic drugs on an 'as required' basis. The oral cavity is easily accessible and the potential for rapid absorption exists. The effects of ionization state and sodium glycocholate on the e

  12. Long-Lived Intermediates in a Cooperative Two-State Folding Transition.

    Science.gov (United States)

    El-Baba, Tarick J; Kim, Doyong; Rogers, Dylan B; Khan, Faizan A; Hales, David A; Russell, David H; Clemmer, David E

    2016-12-01

    Biomolecular folding often occurs through a cooperative two-state reactant ↔ product transition; the term cooperative does not convey that intermediate structures are nonexistent but rather that these states are not observable by existing experimental techniques. Because of this, few intermediates have been studied and characterized. Recently, ion mobility spectrometry (IMS) measurements revealed that the oligomer polyproline-13 (Pro13, which in propanol (PrOH) favors the right-handed helical PPI structure having adjacent pyrrolidine rings in a cis configuration) folds through six sequential long-lived intermediates as it converts to the all-trans-configured PPII structure that is favored in aqueous solutions. Here, we examine the PPIPrOH → PPIIaq folding transition for a HisPro13 sequence, i.e., Pro13 having a single histidine residue added to the N-terminus. Remarkably, the IMS measurements show that, upon addition of histidine, all of the IMS peaks associated with intermediate structures disappear. Instead, HisPro13 folds via a cooperative two-state transition, delayed by a significant induction period. The induction period is temperature dependent-shifting the transition to longer times at lower temperatures. Equilibrium studies show that the HisPro13 PPIPrOH → PPIIaq transition is endothermic but favored entropically. From these clues, we propose a sequential folding mechanism and develop a model that suggests that ∼13-17 long-lived intermediates are likely responsible for the induction period. In this model, intermediates are separated by average individual activation barriers of ∼90 kJ·mol(-1), and are entropically favorable.

  13. Transfer ionization and its sensitivity to the ground-state wave function

    CERN Document Server

    Schöffler, M S; Popov, Yu V; Houamer, S; Titze, J; Jahnke, T; Schmidt, L Ph H; Jagutzki, O; Galstyan, A G; Gusev, A A

    2012-01-01

    We present kinematically complete theoretical calculations and experiments for transfer ionization in H$^++$He collisions at 630 keV/u. Experiment and theory are compared on the most detailed level of fully differential cross sections in the momentum space. This allows us to unambiguously identify contributions from the shake-off and two-step-2 mechanisms of the reaction. It is shown that the simultaneous electron transfer and ionization is highly sensitive to the quality of a trial initial-state wave function.

  14. Spectral Equations-Of-State Theory for Dense, Partially Ionized Matter

    Energy Technology Data Exchange (ETDEWEB)

    Ritchie, A B

    2004-05-14

    The Schroedinger equation is solved in time and space to implement a finite-temperature equation-of-state theory for dense, partially ionized matter. The time-dependent calculation generates a spectrum of quantum states. Eigenfunctions are calculated from a knowledge of the spectrum and used to calculate the electronic pressure and energy. Results are given for LID and compared with results from the INFERNO model.

  15. Coherent time evolution of highly excited Rydberg states in pulsed electric field Opening a stringent way to selectively field-ionize the highly excited states

    CERN Document Server

    Tada, M; Ogawa, I; Funahashi, H; Yamamoto, K; Matsuki, S

    2000-01-01

    Coherent time evolution of highly excited Rydberg states in Rb (98 < n < 150) under pulsed electric field in high slew-rate regime was investigated with the field ionization detection. The electric field necessary to ionize the Rydberg states was found to take discrete values successively depending on the slew rate. Specifically the slew-rate dependence of the ionization field varies with the quantum defect value of the states, i.e. with the energy position of the states relative to the adjacent manifold. This discrete transitional behavior of the ionization field observed for the first time is considered to be a manifestation of the strong coherence effect in the time evolution of the Rydberg states in pulsed electric field and opens a new effective way to stringently select a low-l state from the nearby states by field ionization.

  16. State-specific transport properties of partially ionized flows of electronically excited atomic gases

    Science.gov (United States)

    Istomin, V. A.; Kustova, E. V.

    2017-03-01

    State-to-state approach for theoretical study of transport properties in atomic gases with excited electronic degrees of freedom of both neutral and ionized species is developed. The dependence of atomic radius on the electronic configuration of excited atoms is taken into account in the transport algorithm. Different cutoff criteria for increasing atomic radius are discussed and the limits of applicability for these criteria are evaluated. The validity of a Slater-like model for the calculation of state-resolved transport coefficients in neutral and ionized atomic gases is shown. For ionized flows, a method of evaluation for effective cross-sections of resonant charge-transfer collisions is suggested. Accurate kinetic theory algorithms for modelling the state-specific transport properties are applied for the prediction of transport coefficients in shock heated flows. Based on the numerical observations, different distributions over electronic states behind the shock front are considered. For the Boltzmann-like distributions at temperatures greater than 14,000 K, an important effect of electronic excitation on the partial thermal conductivity and viscosity coefficients is found for both neutral and ionized atomic gases: increasing radius of excited atoms causes a strong decrease in these transport coefficients. Similarly, the presence of electronically excited states with increased atomic radii leads to reduced diffusion coefficients. Nevertheless the overall impact of increasing effective cross-sections on the transport properties just behind the shock front under hypersonic reentry conditions is found to be minor since the populations of high-lying electronic energy levels behind the shock waves are low.

  17. Differential scanning calorimetry study of glycerinated rabbit psoas muscle fibres in intermediate state of ATP hydrolysis

    Science.gov (United States)

    Dergez, Timea; Lőrinczy, Dénes; Könczöl, Franciska; Farkas, Nelli; Belagyi, Joseph

    2007-01-01

    Background Thermal denaturation experiments were extended to study the thermal behaviour of the main motor proteins (actin and myosin) in their native environment in striated muscle fibres. The interaction of actin with myosin in the highly organized muscle structure is affected by internal forces; therefore their altered conformation and interaction may differ from those obtained in solution. The energetics of long functioning intermediate states of ATP hydrolysis cycle was studied in muscle fibres by differential scanning calorimetry (DSC). Results SETARAM Micro DSC-II was used to monitor the thermal denaturation of the fibre system in rigor and in the presence of nucleotide and nucleotide analogues. The AM.ADP.Pi state of the ATP hydrolysis cycle has a very short lifetime therefore, we mimicked the different intermediate states with AMP.PNP and/or inorganic phosphate analogues Vi and AlF4 or BeFx. Studying glycerol-extracted muscle fibres from the rabbit psoas muscle by DSC, three characteristic thermal transitions were detected in rigor. The thermal transitions can be assigned to myosin heads, myosin rods and actin with transition temperatures (Tm) of 52.9 ± 0.7°C, 57.9 ± 0.7°C, 63.7 ± 1.0°C. In different intermediate states of the ATP hydrolysis mimicked by nucleotide analogues a fourth thermal transition was also detected which is very likely connected with nucleotide binding domain of myosin and/or actin filaments. This transition temperature Tm4 depended on the mimicked intermediate states, and varied in the range of 66°C – 77°C. Conclusion According to DSC measurements, strongly and weakly binding states of myosin to actin were significantly different. In the presence of ADP only a moderate change of the DSC pattern was detected in comparison with rigor, whereas in ADP.Pi state trapped by Vi, AlF4 or BeFx a remarkable stabilization was detected on the myosin head and actin filament which is reflected in a 3.0 – 10.0°C shift in Tm to higher

  18. Crystal Structures of EF-G-Ribosome Complexes Trapped in Intermediate States of Translocation

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Jie; Lancaster, Laura; Donohue, John Paul; Noller, Harry F. [UCSC

    2013-11-12

    Translocation of messenger and transfer RNA (mRNA and tRNA) through the ribosome is a crucial step in protein synthesis, whose mechanism is not yet understood. The crystal structures of three Thermus ribosome-tRNA-mRNA–EF-G complexes trapped with β,γ-imidoguanosine 5'-triphosphate (GDPNP) or fusidic acid reveal conformational changes occurring during intermediate states of translocation, including large-scale rotation of the 30S subunit head and body. In all complexes, the tRNA acceptor ends occupy the 50S subunit E site, while their anticodon stem loops move with the head of the 30S subunit to positions between the P and E sites, forming chimeric intermediate states. Two universally conserved bases of 16S ribosomal RNA that intercalate between bases of the mRNA may act as “pawls” of a translocational ratchet. These findings provide new insights into the molecular mechanism of ribosomal translocation.

  19. Population of bound excited states in intermediate-energy fragmentation reactions

    CERN Document Server

    Obertelli, A; Bazin, D; Campbell, C M; Cook, J M; Cottle, P D; Davies, A D; Dinca, D C; Glasmacher, T; Hansen, P G; Hoagland, T; Kemper, K W; Lecouey, J L; Müller, W F; Reynolds, R R; Roeder, B T; Terry, J R; Tostevin, J A; Yoneda, K; Zwahlen, H

    2006-01-01

    Fragmentation reactions with intermediate-energy heavy-ion beams exhibit a wide range of reaction mechanisms, ranging from direct reactions to statistical processes. We examine this transition by measuring the relative population of excited states in several sd-shell nuclei produced by fragmentation with the number of removed nucleons ranging from two to sixteen. The two-nucleon removal is consistent with a non-dissipative process whereas the removal of more than five nucleons appears to be mainly statistical.

  20. Topological Hysteresis in the Intermediate State of Type-I Superconductors

    OpenAIRE

    Prozorov, Ruslan; Giannetta, Russell W.; Polyanskii, Anatolii A.; Perkins, Garry K.

    2004-01-01

    Magneto-optical imaging of thick stress-free lead samples reveals two distinct topologies of the intermediate state. Flux tubes are formed upon magnetic field penetration (closed topology) and laminar patterns appear upon flux exit (open topology). Two-dimensional distributions of shielding currents were obtained by applying an efficient inversion scheme. Quantitative analysis of the magnetic induction distribution and correlation with magnetization measurements indicate that observed topolog...

  1. Consecutive reversible ionization-recombination reactions and ionic charge state distribution of Au plasma

    Institute of Scientific and Technical Information of China (English)

    ZHU Zhiyan; ZHU Zhenghe; TANG Changhuan; TANG Yongjian; GAO Tao

    2005-01-01

    The present work proposes kinetics of ionization-recombination to study the charge state distribution of Au plasma. The first step is to calculate the average lifetime, energy level structure, degeneracy and partition function of Au48+―Au52+ by relativistic quantum mechanics, and next to compute the equilibrium constant and the second-order recombination rate constant by statistical thermodynamics. Based on these data, the differential equations of consecutive reversible ionization-recombination reactions are solved from which the charge state distribution and its average charge are derived. Finally, the influence of electron temperature and density on average charge is given in this paper. It is called the first-principle theory, for no experimental data are needed.

  2. Ground-State Ionization Potentials for Lithium through Neon Isoelectronic Sequences with Z=37-82

    Institute of Scientific and Technical Information of China (English)

    HUANG Jie; JIANG Gang; ZHAO Qian

    2006-01-01

    The ground-state ionization potentials of different isoelectronic sequences are calculated systemically with the multi-configuration Dirac-Fock method.The relativistic corrections,Breit and QED effects are included in the calculation.These results are compared with the scanty existing theoretical and experimental data in the literature.Analytical expressions are obtained for expressing our theoretical data along the different sequences.

  3. Ionic and Covalent Stabilization of Intermediates and Transition States in Catalysis by Solid Acids

    Energy Technology Data Exchange (ETDEWEB)

    Deshlahra, Prashant; Carr, Robert T.; Iglesia, Enrique

    2014-10-29

    Reactivity descriptors describe catalyst properties that determine the stability of kinetically relevant transition states and adsorbed intermediates. Theoretical descriptors, such as deprotonation energies (DPE), rigorously account for Brønsted acid strength for catalytic solids with known structure. Here, mechanistic interpretations of methanol dehydration turnover rates are used to assess how charge reorganization (covalency) and electrostatic interactions determine DPE and how such interactions are recovered when intermediates and transition states interact with the conjugate anion in W and Mo polyoxometalate (POM) clusters and gaseous mineral acids. Turnover rates are lower and kinetically relevant species are less stable on Mo than W POM clusters with similar acid strength, and such species are more stable on mineral acids than that predicted from W-POM DPE–reactivity trends, indicating that DPE and acid strength are essential but incomplete reactivity descriptors. Born–Haber thermochemical cycles indicate that these differences reflect more effective charge reorganization upon deprotonation of Mo than W POM clusters and the much weaker reorganization in mineral acids. Such covalency is disrupted upon deprotonation but cannot be recovered fully upon formation of ion pairs at transition states. Predictive descriptors of reactivity for general classes of acids thus require separate assessments of the covalent and ionic DPE components. Here, we describe methods to estimate electrostatic interactions, which, taken together with energies derived from density functional theory, give the covalent and ionic energy components of protons, intermediates, and transition states. In doing so, we provide a framework to predict the reactive properties of protons for chemical reactions mediated by ion-pair transition states.

  4. Ionic and covalent stabilization of intermediates and transition states in catalysis by solid acids.

    Science.gov (United States)

    Deshlahra, Prashant; Carr, Robert T; Iglesia, Enrique

    2014-10-29

    Reactivity descriptors describe catalyst properties that determine the stability of kinetically relevant transition states and adsorbed intermediates. Theoretical descriptors, such as deprotonation energies (DPE), rigorously account for Brønsted acid strength for catalytic solids with known structure. Here, mechanistic interpretations of methanol dehydration turnover rates are used to assess how charge reorganization (covalency) and electrostatic interactions determine DPE and how such interactions are recovered when intermediates and transition states interact with the conjugate anion in W and Mo polyoxometalate (POM) clusters and gaseous mineral acids. Turnover rates are lower and kinetically relevant species are less stable on Mo than W POM clusters with similar acid strength, and such species are more stable on mineral acids than that predicted from W-POM DPE-reactivity trends, indicating that DPE and acid strength are essential but incomplete reactivity descriptors. Born-Haber thermochemical cycles indicate that these differences reflect more effective charge reorganization upon deprotonation of Mo than W POM clusters and the much weaker reorganization in mineral acids. Such covalency is disrupted upon deprotonation but cannot be recovered fully upon formation of ion pairs at transition states. Predictive descriptors of reactivity for general classes of acids thus require separate assessments of the covalent and ionic DPE components. Here, we describe methods to estimate electrostatic interactions, which, taken together with energies derived from density functional theory, give the covalent and ionic energy components of protons, intermediates, and transition states. In doing so, we provide a framework to predict the reactive properties of protons for chemical reactions mediated by ion-pair transition states.

  5. Optical detection and ionization of donors in specific electronic and nuclear spin States.

    Science.gov (United States)

    Yang, A; Steger, M; Karaiskaj, D; Thewalt, M L W; Cardona, M; Itoh, K M; Riemann, H; Abrosimov, N V; Churbanov, M F; Gusev, A V; Bulanov, A D; Kaliteevskii, A K; Godisov, O N; Becker, P; Pohl, H-J; Ager, J W; Haller, E E

    2006-12-01

    We resolve the remarkably sharp bound exciton transitions of highly enriched 28Si using a single-frequency laser and photoluminescence excitation spectroscopy, as well as photocurrent spectroscopy. Well-resolved doublets in the spectrum of the 31P donor reflect the hyperfine coupling of the electronic and nuclear donor spins. The optical detection of the nuclear spin state, and selective pumping and ionization of donors in specific electronic and nuclear spin states, suggests a number of new possibilities which could be useful for the realization of silicon-based quantum computers.

  6. Equation of state of dense neon and krypton plasmas in the partial ionization regime

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Q. F., E-mail: chenqf01@gmail.com; Zheng, J.; Gu, Y. J.; Li, Z. G. [Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, P.O. Box 919-102, Mianyang, Sichuan (China)

    2015-12-15

    The compression behaviors of dense neon and krypton plasmas over a wide pressure-temperature range are investigated by self-consistent fluid variational theory. The ionization degree and equation of state of dense neon and krypton are calculated in the density-temperature range of 0.01–10 g/cm{sup 3} and 4–50 kK. A region of thermodynamic instability is found which is related to the plasma phase transition. The calculated shock adiabat and principal Hugoniot of liquid krypton are in good agreement with available experimental data. The predicted results of shock-compressed liquid neon are presented, which provide a guide for dynamical experiments or numerical first-principle calculations aimed at studying the compression properties of liquid neon in the partial ionization regime.

  7. Influence of denatured and intermediate states of folding on protein aggregation.

    Science.gov (United States)

    Fawzi, Nicolas L; Chubukov, Victor; Clark, Louis A; Brown, Scott; Head-Gordon, Teresa

    2005-04-01

    We simulate the aggregation thermodynamics and kinetics of proteins L and G, each of which self-assembles to the same alpha/beta [corrected] topology through distinct folding mechanisms. We find that the aggregation kinetics of both proteins at an experimentally relevant concentration exhibit both fast and slow aggregation pathways, although a greater proportion of protein G aggregation events are slow relative to those of found for protein L. These kinetic differences are correlated with the amount and distribution of intrachain contacts formed in the denatured state ensemble (DSE), or an intermediate state ensemble (ISE) if it exists, as well as the folding timescales of the two proteins. Protein G aggregates more slowly than protein L due to its rapidly formed folding intermediate, which exhibits native intrachain contacts spread across the protein, suggesting that certain early folding intermediates may be selected for by evolution due to their protective role against unwanted aggregation. Protein L shows only localized native structure in the DSE with timescales of folding that are commensurate with the aggregation timescale, leaving it vulnerable to domain swapping or nonnative interactions with other chains that increase the aggregation rate. Folding experiments that characterize the structural signatures of the DSE, ISE, or the transition state ensemble (TSE) under nonaggregating conditions should be able to predict regions where interchain contacts will be made in the aggregate, and to predict slower aggregation rates for proteins with contacts that are dispersed across the fold. Since proteins L and G can both form amyloid fibrils, this work also provides mechanistic and structural insight into the formation of prefibrillar species.

  8. Defining the nature of thermal intermediate in 3 state folding proteins: apoflavodoxin, a study case.

    Directory of Open Access Journals (Sweden)

    Rebeca García-Fandiño

    Full Text Available The early stages of the thermal unfolding of apoflavodoxin have been determined by using atomistic multi microsecond-scale molecular dynamics (MD simulations complemented with a variety of experimental techniques. Results strongly suggest that the intermediate is reached very early in the thermal unfolding process and that it has the properties of an "activated" form of the native state, where thermal fluctuations in the loops break loop-loop contacts. The unrestrained loops gain then kinetic energy corrupting short secondary structure elements without corrupting the core of the protein. The MD-derived ensembles agree with experimental observables and draw a picture of the intermediate state inconsistent with a well-defined structure and characteristic of a typical partially disordered protein. Our results allow us to speculate that proteins with a well packed core connected by long loops might behave as partially disordered proteins under native conditions, or alternatively behave as three state folders. Small details in the sequence, easily tunable by evolution, can yield to one or the other type of proteins.

  9. Degree of Rate Control: How Much the Energies of Intermediates and Transition States Control Rates

    DEFF Research Database (Denmark)

    Stegelmann, Carsten; Andreasen, Anders; Campbell, Charles T.

    2009-01-01

    For many decades, the concept of a “rate-determining step” has been of central importance in understanding chemical kinetics in multistep reaction mechanisms and using that understanding to advantage. Yet a rigorous method for identifying the rate-determining step in a reaction mechanism was only...... model for any reaction mechanism. Thus, it is very important to identify these rate-controlling transition states and rate-controlling intermediates for both applied and basic research. Here, we present a method for doing that....

  10. A transition-state interaction shifts nucleobase ionization toward neutrality to facilitate small ribozyme catalysis.

    Science.gov (United States)

    Liberman, Joseph A; Guo, Man; Jenkins, Jermaine L; Krucinska, Jolanta; Chen, Yuanyuan; Carey, Paul R; Wedekind, Joseph E

    2012-10-17

    One mechanism by which ribozymes can accelerate biological reactions is by adopting folds that favorably perturb nucleobase ionization. Herein we used Raman crystallography to directly measure pK(a) values for the Ade38 N1 imino group of a hairpin ribozyme in distinct conformational states. A transition-state analogue gave a pK(a) value of 6.27 ± 0.05, which agrees strikingly well with values measured by pH-rate analyses. To identify the chemical attributes that contribute to the shifted pK(a), we determined crystal structures of hairpin ribozyme variants containing single-atom substitutions at the active site and measured their respective Ade38 N1 pK(a) values. This approach led to the identification of a single interaction in the transition-state conformation that elevates the base pK(a) > 0.8 log unit relative to the precatalytic state. The agreement of the microscopic and macroscopic pK(a) values and the accompanying structural analysis supports a mechanism in which Ade38 N1(H)+ functions as a general acid in phosphodiester bond cleavage. Overall the results quantify the contribution of a single electrostatic interaction to base ionization, which has broad relevance for understanding how RNA structure can control chemical reactivity.

  11. The Ionization State Along the Beam of Herbig-Haro Jets

    Science.gov (United States)

    Bacciotti, Francesca

    An original spectroscopic diagnostic technique has been recently developed that allows to estimate in a model-independent way the ionization fraction $x_e$ and the average excitation temperature in the beam of Herbig-Haro jets (Bacciotti, Chiuderi and Oliva 1995). The procedure is based on the fact that in the low excitation conditions present in this region the ionization state of oxygen and nitrogen can be assumed to be regulated by charge exchange with atomic hydrogen. The application of this technique to long-slit spectra of several well-known stellar jets indicates that the hydrogen ionization fraction $x_e$ starts from 0.2--0.4 at the beginning of the flow and gently decreases along the whole jet or along sections of it as a result of time-dependent recombination. The average temperature stays almost constant, ranging from 4500 to 7000 K. The momentum transfer rates evaluated with the derived total number densities ($n_H \\sim 10^3 - 10^4$ \\dens) give support to the picture in which the jet is responsible for the acceleration of a surrounding molecular outflow.

  12. A simple resonance enhanced laser ionization scheme for CO via the A1Π state

    Science.gov (United States)

    Sun, Z. F.; von Zastrow, A. D.; Parker, D. H.

    2017-07-01

    We investigate the laser ionization process taking place when the CO molecule is exposed to vacuum ultraviolet (VUV) radiation resonant with the CO A1Π (v = 0) ← X1Σ+ (v = 0) transition around 154 nm, along with the ultraviolet (UV) and visible (Red) radiation used to generate VUV by four-wave difference-frequency mixing. By measuring the CO+ ion recoil and a room temperature gas spectrum, it is possible to assign the ionization process as 1 + 1' + 1'' REMPI where the one-photon steps refer to the VUV, UV, and Red radiation, respectively. Resonance enhanced ionization of rotational states around J = 12 arise due to the overlap of the fixed wavelength UV (˜250 nm) with the R band-head of a transition assigned to CO E1Π (v = 6) ← A1Π (v = 0) with a term value of 104 787.5 cm-1. The REMPI process is efficient and polarization sensitive and should be useful in a wide range of studies involving nascent CO.

  13. All-solid-state deep ultraviolet laser for single-photon ionization mass spectrometry.

    Science.gov (United States)

    Yuan, Chengqian; Liu, Xianhu; Zeng, Chenghui; Zhang, Hanyu; Jia, Meiye; Wu, Yishi; Luo, Zhixun; Fu, Hongbing; Yao, Jiannian

    2016-02-01

    We report here the development of a reflectron time-of-flight mass spectrometer utilizing single-photon ionization based on an all-solid-state deep ultraviolet (DUV) laser system. The DUV laser was achieved from the second harmonic generation using a novel nonlinear optical crystal KBe2BO3F2 under the condition of high-purity N2 purging. The unique property of this laser system (177.3-nm wavelength, 15.5-ps pulse duration, and small pulse energy at ∼15 μJ) bears a transient low power density but a high single-photon energy up to 7 eV, allowing for ionization of chemicals, especially organic compounds free of fragmentation. Taking this advantage, we have designed both pulsed nanospray and thermal evaporation sources to form supersonic expansion molecular beams for DUV single-photon ionization mass spectrometry (DUV-SPI-MS). Several aromatic amine compounds have been tested revealing the fragmentation-free performance of the DUV-SPI-MS instrument, enabling applications to identify chemicals from an unknown mixture.

  14. Conformational responses to changes in the state of ionization of titrable groups in proteins

    Science.gov (United States)

    Richman, Daniel Eric

    Electrostatic energy links the structural properties of proteins with some of their important biological functions, including catalysis, energy transduction, and binding and recognition. Accurate calculation of electrostatic energy is essential for predicting and for analyzing function from structure. All proteins have many ionizable residues at the protein-water interface. These groups tend to have ionization equilibria (pK a values) shifted slightly relative to their values in water. In contrast, groups buried in the hydrophobic interior usually have highly anomalous p Ka values. These shifts are what structure-based calculations have to reproduce to allow examination of contributions from electrostatics to stability, solubility and interactions of proteins. Electrostatic energies are challenging to calculate accurately because proteins are heterogeneous dielectric materials. Any individual ionizable group can experience very different local environments with different dielectric properties. The studies in this thesis examine the hypothesis that proteins reorganize concomitant with changes in their state of ionization. It appears that the pKa value measured experimentally reflects the average of pKa values experienced in the different electrostatic environments corresponding to different conformational microstates. Current computational models fail to sample conformational reorganization of the backbone correctly. Staphyloccocal nuclease (SNase) was used as a model protein in nuclear magnetic resonance (NMR) spectroscopy studies to characterize the conformational rearrangements of the protein coupled to changes in the ionization state of titrable groups. One set of experiments tests the hypothesis that proton binding to surface Asp and Glu side chains drives local unfolding by stabilizing less-native, more water-solvated conformations in which the side chains have normalized pKa values. Increased backbone flexibility in the ps-ns timescale, hydrogen bond (H

  15. Prediction and validation of protein intermediate states from structurally rich ensembles and coarse-grained simulations

    Science.gov (United States)

    Orellana, Laura; Yoluk, Ozge; Carrillo, Oliver; Orozco, Modesto; Lindahl, Erik

    2016-08-01

    Protein conformational changes are at the heart of cell functions, from signalling to ion transport. However, the transient nature of the intermediates along transition pathways hampers their experimental detection, making the underlying mechanisms elusive. Here we retrieve dynamic information on the actual transition routes from principal component analysis (PCA) of structurally-rich ensembles and, in combination with coarse-grained simulations, explore the conformational landscapes of five well-studied proteins. Modelling them as elastic networks in a hybrid elastic-network Brownian dynamics simulation (eBDIMS), we generate trajectories connecting stable end-states that spontaneously sample the crystallographic motions, predicting the structures of known intermediates along the paths. We also show that the explored non-linear routes can delimit the lowest energy passages between end-states sampled by atomistic molecular dynamics. The integrative methodology presented here provides a powerful framework to extract and expand dynamic pathway information from the Protein Data Bank, as well as to validate sampling methods in general.

  16. Angular and internal state distributions of H2+ generated by (2 + 1) resonance enhanced multiphoton ionization of H2 using time-of-flight mass spectrometry

    Science.gov (United States)

    Perreault, William E.; Mukherjee, Nandini; Zare, Richard N.

    2016-06-01

    We report direct measurement of the anisotropy parameter β for the angular distribution of the photoelectron and photoion in (2 + 1) resonance enhanced multiphoton ionization process of H2 X 1 Σg + (v = 0, J = 0) molecules through the intermediate H2 E,F 1 Σg + (v' = 0, J' = 0) level (λ = 201.684 nm) using a time-of-flight mass spectrometer. The time-of-flight spectra were recorded as the direction of polarization of the ionizing laser was varied with respect to the flight axis of the H2 molecular beam and were fitted to an angular distribution in an appropriately rotated coordinate system with the z-axis oriented along the time-of-flight axis. The anisotropy parameter β was found to be 1.72 ± 0.13 by fitting the time-of-flight spectra and agreed with previous measurements. Using secondary ionization with a delayed laser pulse of different wavelength, we also determined the vibrational energy distribution of the ions, showing that 98% ± 4% of the ions are generated in their ground vibrational state, in agreement with the calculated Franck-Condon factors between the H2 E,F 1 Σg + (v' = 0) and H 2+ X 1 Σg + (v″) vibrational levels.

  17. Angular and internal state distributions of H2 (+) generated by (2 + 1) resonance enhanced multiphoton ionization of H2 using time-of-flight mass spectrometry.

    Science.gov (United States)

    Perreault, William E; Mukherjee, Nandini; Zare, Richard N

    2016-06-01

    We report direct measurement of the anisotropy parameter β for the angular distribution of the photoelectron and photoion in (2 + 1) resonance enhanced multiphoton ionization process of H2 X (1)Σg (+) (v = 0, J = 0) molecules through the intermediate H2 E,F (1)Σg (+) (v' = 0, J' = 0) level (λ = 201.684 nm) using a time-of-flight mass spectrometer. The time-of-flight spectra were recorded as the direction of polarization of the ionizing laser was varied with respect to the flight axis of the H2 molecular beam and were fitted to an angular distribution in an appropriately rotated coordinate system with the z-axis oriented along the time-of-flight axis. The anisotropy parameter β was found to be 1.72 ± 0.13 by fitting the time-of-flight spectra and agreed with previous measurements. Using secondary ionization with a delayed laser pulse of different wavelength, we also determined the vibrational energy distribution of the ions, showing that 98% ± 4% of the ions are generated in their ground vibrational state, in agreement with the calculated Franck-Condon factors between the H2 E,F (1)Σg (+) (v' = 0) and H2 (+) X (1)Σg (+) (v″) vibrational levels.

  18. The effect of bound states on X-ray Thomson scattering for partially ionized plasmas

    OpenAIRE

    Nilsen, J.; Johnson, W.R.; Cheng, K. T.

    2012-01-01

    X-ray Thomson scattering is being developed as a method to measure the temperature, electron density, and ionization state of high energy density plasmas such as those used in inertial confinement fusion. X-ray laser sources have always been of interest because of the need to have a bright monochromatic x-ray source to overcome plasma emission and eliminate other lines in the background that complicate the analysis. With the advent of the xray free electron laser (X-FEL) at the SLAC Linac Coh...

  19. Even-parity Rydberg and autoionizing states of lutetium by laser resonance-ionization spectroscopy

    Science.gov (United States)

    Li, R.; Lassen, J.; Zhong, Z. P.; Jia, F. D.; Mostamand, M.; Li, X. K.; Reich, B. B.; Teigelhöfer, A.; Yan, H.

    2017-05-01

    Multistep laser resonance ionization spectroscopy of lutetium (Lu) has been performed at TRIUMF's off-line laser ion source test stand. The even-parity Rydberg series 6 s2n d 2D3 /2 , 6 s2n d 2D5 /2 , and 6 s2n s 2S1 /2 were observed converging to the 6 s2 ionization potential. The experimental results have been compared to those of previous work. Fifty-one levels of Rydberg series 6 s2n d 2D5 /2 and 52 levels of Rydberg series 6 s2n s 2S1 /2 were reported. Additionally, six even-parity autoionization (AI) series converging to Lu ionic states 5 d 6 s 3D1 and 5 d 6 s 3D2 were observed. The level energies of these AI states were measured. The configurations of the AI states were assigned by relativistic multichannel theory within the framework of multichannel quantum defect theory.

  20. Attosecond probing of state-resolved ionization and superpositions of atoms and molecules

    Science.gov (United States)

    Leone, Stephen

    2016-05-01

    Isolated attosecond pulses in the extreme ultraviolet are used to probe strong field ionization and to initiate electronic and vibrational superpositions in atoms and small molecules. Few-cycle 800 nm pulses produce strong-field ionization of Xe atoms, and the attosecond probe is used to measure the risetimes of the two spin orbit states of the ion on the 4d inner shell transitions to the 5p vacancies in the valence shell. Step-like features in the risetimes due to the subcycles of the 800 nm pulse are observed and compared with theory to elucidate the instantaneous and effective hole dynamics. Isolated attosecond pulses create massive superpositions of electronic states in Ar and nitrogen as well as vibrational superpositions among electronic states in nitrogen. An 800 nm pulse manipulates the superpositions, and specific subcycle interferences, level shifting, and quantum beats are imprinted onto the attosecond pulse as a function of time delay. Detailed outcomes are compared to theory for measurements of time-dynamic superpositions by attosecond transient absorption. Supported by DOE, NSF, ARO, AFOSR, and DARPA.

  1. Analysis of the intermediate-state contributions to neutrinoless double beta-minus decays

    CERN Document Server

    Hyvärinen, Juhani

    2016-01-01

    A comprehensive analysis of the structure of the nuclear matrix elements (NMEs) of neutrinoless double beta-minus decays to the 0^+ ground and first excited states is performed in terms of the contributing multipole states in the intermediate nuclei of neutrinoless double beta-minus transitions. We concentrate on the transitions mediated by the light (l-NMEs) Majorana neutrinos. As nuclear model we use the proton-neutron quasiparticle random-phase approximation (pnQRPA) with a realistic two-nucleon interaction based on the Bonn one-boson-exchange G matrix. In the computations we include the appropriate short-range correlations, nucleon form factors, higher-order nucleonic weak currents and restore the isospin symmetry by the isoscalar-isovector decomposition of the particle-particle proton-neutron interaction parameter g_{pp}.

  2. Schwinger variational calculation of ionization of hydrogen atoms for large momentum transfers

    Indian Academy of Sciences (India)

    K Chakrabarti

    2002-03-01

    Schwinger variational principle is used here to study large momentum transfer cases of electron and positron impact ionization of atomic hydrogen from the ground state at intermediate and moderately high energies. The results appear somewhat better compared to other theories.

  3. The influence of the anisotropic stress state on the intermediate strain properties of granular material

    KAUST Repository

    Goudarzy, M.

    2017-07-20

    This paper shows the effect of anisotropic stress state on intermediate strain properties of cylindrical samples containing spherical glass particles. Tests were carried out with the modified resonant column device available at Ruhr-Universität Bochum. Dry samples were subjected to two anisotropic stress states: (a) cell pressure, σ′h, constant and vertical stress, σ′v, increased (stress state GB-I) and (b) σ′v/σ′h equal to 2 (stress state GB-II). The experimental results revealed that the effect of stress state GB-II on the modulus and damping ratio was more significant and obvious than stress state GB-I. The effect of the anisotropic stress state was explained through the impact of confining pressure and anisotropic stress components on the stiffness and damping ratio. The results showed that: (a) G(γ) increased, η(γ) decreased and their strain non-linearity decreased with an increase in the confining pressure component σ′vσ′h; (b) G(γ) decreased, η(γ) increased and their strain non-linearity increased with an increase in the anisotropic stress component, σ′v/σ′h. The analysis of results revealed that reference shear strain was also affected by anisotropic stress state. Therefore, an empirical relationship was developed to predict the reference shear strain, as a function of confining pressure and anisotropic stress components. Additionally, the damping ratio was written as a function of the minimum damping ratio and the reference shear strain.

  4. Boundary-corrected four-body continuum-intermediate-state method: Single-electron capture from heliumlike atomic systems by fast nuclei

    Science.gov (United States)

    Mančev, Ivan; Milojević, Nenad; Belkić, Dževad

    2015-06-01

    Single charge exchange in collisions between bare projectiles and heliumlike atomic systems at intermediate and high incident energies is examined by using the four-body formalism of the first- and second-order theories. The main purpose of the present study is to investigate the relative importance of the intermediate ionization continua of the captured electron compared to the usual direct path of the single electron transfer from a target to a projectile. In order to achieve this goal, comprehensive comparisons are made between the four-body boundary-corrected continuum-intermediate-states (BCIS-4B) method and the four-body boundary-corrected first Born (CB1-4B) method. The perturbation potential is the same in the CB1-4B and BCIS-4B methods. Both methods satisfy the correct boundary conditions in the entrance and exit channels. However, unlike the CB1-4B method, the second-order BCIS-4B method takes into account the electronic Coulomb continuum-intermediate states in either the entrance or the exit channel depending on whether the post or the prior version of the transition amplitude is used. Hence, by comparing the results from these two theories, the relative importance of the intermediate ionization electronic continua can be assessed within the four-body formalism of scattering theory. The BCIS-4B method predicts the usual second-order effect through double scattering of the captured electron on two nuclei as a quantum-mechanical counterpart of the Thomas classical two-step, billiard-type collision. The physical mechanism for this effect in the BCIS-4B method is also comprised of two steps such that ionization occurs first. This is followed by capture of the electron by the projectile with both processes taking place on the energy shell. Moreover, the role of the second, noncaptured electron in a heliumlike target is revisited. To this end, the BCIS-4B method describes the effect of capture of one electron by the interaction of the projectile nucleus with

  5. Simulated Annealing for Ground State Energy of Ionized Donor Bound Excitons in Semiconductors

    Institute of Scientific and Technical Information of China (English)

    YANHai-Qing; TANGChen; LIUMing; ZHANGHao; ZHANGGui-Min

    2004-01-01

    We present a global optimization method, called the simulated annealing, to the ground state energies of excitons. The proposed method does not require the partial derivatives with respect to each variational parameter or solving an eigenequation, so the present method is simpler in software programming than the variational method,and overcomes the major difficulties. The ground state energies of ionized-donor-bound excitons (D+,X) have beencal culated variationally for all values of effective electron-to-hole mass ratio σ. They are compared with those obtained by the variational method. The results obtained demonstrate that the proposed method is simple, accurate, and has more advantages than the traditional methods in calculation.

  6. Simulated Annealing for Ground State Energy of Ionized Donor Bound Excitons in Semiconductors

    Institute of Scientific and Technical Information of China (English)

    YAN Hai-Qing; TANG Chen; LIU Ming; ZHANG Hao; ZHANG Gui-Min

    2004-01-01

    We present a global optimization method, called the simulated annealing, to the ground state energies of excitons. The proposed method does not require the partial derivatives with respect to each variational parameter or solving an eigenequation, so the present method is simpler in software programming than the variational method,and overcomes the major difficulties. The ground state energies of ionized-donor-bound excitons (D+, X) have been calculated variationally for all values of effective electron-to-hole mass ratio σ. They are compared with those obtained by the variational method. The results obtained demonstrate that the proposed method is simple, accurate, and has more advantages than the traditional methods in calculation.

  7. The Path of Carbon in Photosynthesis XVI. Kinetic Relationships of the Intermediates in Steady State Photosynthesis

    Science.gov (United States)

    Benson, A. A.; Kawaguchi, S.; Hayes, P.; Calvin, M.

    1952-06-05

    A kinetic study of the accumulation of C{sup 14} in the intermediates of steady state photosynthesis in C{sup 14}O{sub 2} provides information regarding the sequence of reactions involved. The work described applied the radio-chromatographic technique for analysis of the labeled early products. The simultaneous carboxylation reaction resulting in malic acid as well as phosphoglycerate is demonstrated in experiments at high light intensity. A comparison of radioactivities in a number of phosphorylated sugars as a function of time reveals concurrent synthesis of fructose and sedoheptulose phosphates followed by that of ribulose phosphates and later by that of glucose phosphates. The possibility that the cleavage of C{sub 4} compounds to C{sub 2} carbon dioxide acceptors may involve C{sub 7} and C{sub 5} sugars and evidence for this mechanism is presented.

  8. State-resolved study of keV sputtered neutral atoms by resonance ionization spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    He, C.; Postawa, Z.; Rosencrance, S.; Chatterjee, R.; Garrison, B.J.; Winograd, N. [Department of Chemistry, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States)

    1995-04-01

    We have performed simultaneous measurements of energy-, and angle-resolved distributions of Ni atoms desorbed from a single crystal Ni{l_brace}100{r_brace} surface bombarded by 5 keV Ar{sup +} ions. Ground state and six low-lying excited states from the {ital a}{sup 3}{ital F}{sub {ital J}} ({ital J}=4,3,2) and {ital a}{sup 3}{ital D}{sub {ital J}} ({ital J}=3,2,1) manifolds as well as {ital a}{sup 1}{ital D}{sub 2} have been investigated along different azimuths. Both {ital a}{sup 3}{ital F}{sub {ital J}} and {ital a}{sup 1}{ital D}{sub 2} states have closed shell electronic structure, 3{ital d}{sup 8}4{ital s}{sup 2}, while the {ital a}{sup 3}{ital D}{sub {ital J}} states are open shell electronic states, 3{ital d}{sup 9}4{ital s}{sup 1}. Angle-integrated energy distributions demonstrate a strong dependence on the electronic structure while the magnitude of the excitation energy does not significantly alter the results. This is the first conclusive evidence that electronic structure rather than excitation energy is the primary factor in determining kinetic energy distributions of sputtered neutral species. Population distribution among the seven electronic states are obtained through two sets of measurements performed on two experimental apparati: one measures the energy- and angle-integrated resonance ionization signal intensities of the sputtered Ni; the other measures the resonance ionization signal intensities of thermally evaporated Ni atoms with a known heating temperature. The experiment results show that the population distribution is very different from Boltzman-type distribution with {ital a}{sup 3}{ital D}{sub 3} and {ital a}{sup 3}{ital D}{sub 2} states more intensely populated. The work also illustrates the power of RIS to perform quantum state specific measurements on fast moving atoms. {copyright} 1995 {ital American} {ital Institute} {ital of} {ital Physics}

  9. The Chemi-Ionization Processes in Slow Collisions of Rydberg Atoms with Ground State Atoms: Mechanism and Applications

    CERN Document Server

    Mihajlov, A A; Ignjatovic, Lj M; Klyucharev, A N; 10.1007/s10876-011-0438-7

    2012-01-01

    In this article the history and the current state of research of the chemiionization processes in atom-Rydberg atom collisions is presented. The principal assumptions of the model of such processes based on the dipole resonance mechanism, as well as the problems of stochastic ionization in atom-Rydberg atom collisions, are exposed. The properties of the collision kinetics in atom beams of various types used in contemporary experimentations are briefly described. Results of the calculation of the chemi-ionization rate coefficients are given and discussed for the range of the principal quantum number values 5 < n < 25. The role of the chemi-ionization processes in astrophysical and laboratory low-temperature plasmas, and the contemporary methods of their investigation are described. Also the directions of further research of chemi-ionization processes are discussed in this article.

  10. Multiple ionization of argon by helium ions

    Science.gov (United States)

    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.

  11. Quantum-state-controlled Penning-ionization reactions between ultracold alkali-metal and metastable helium atoms

    Science.gov (United States)

    Flores, A. S.; Vassen, W.; Knoop, S.

    2016-11-01

    In an ultracold, optically trapped mixture of 87Rb and metastable triplet 4He atoms we have studied trap loss for different spin-state combinations, for which interspecies Penning ionization is the main two-body loss process. We observe long trapping lifetimes for the purely quartet spin-state combination, indicating strong suppression of Penning-ionization loss by at least two orders of magnitude. For the other spin mixtures we observe short lifetimes that depend linearly on the doublet character of the entrance channel. We compare the extracted loss rate coefficient with recent predictions of multichannel quantum-defect theory for reactive collisions involving a strong exothermic loss channel and find near-universal loss for doublet scattering. Our work demonstrates control of Penning-ionization reactive collisions by internal atomic state preparation.

  12. Ionization and bound-state relativistic quantum dynamics in laser-driven multiply charged ions

    Energy Technology Data Exchange (ETDEWEB)

    Hetzheim, Henrik

    2009-01-14

    The interaction of ultra-strong laser fields with multiply charged hydrogen-like ions can be distinguished in an ionization and a bound dynamics regime. Both are investigated by means of numerically solving the Dirac equation in two dimensions and by a classical relativistic Monte-Carlo simulation. For a better understanding of highly nonlinear physical processes the development of a well characterized ultra-intense relativistic laser field strength has been driven forward, capable of studying e.g. the magnetic field effects of the laser resulting in an additional electron motion in the laser propagation direction. A novel method to sensitively measure these ultra-strong laser intensities is developed and employed from the optical via the UV towards the XUV frequency regime. In the bound dynamics field, the determination of multiphoton transition matrixelements has been investigated between different bound states via Rabi oscillations. (orig.)

  13. Structural Integrity Evaluation of Intermediate Heat Exchanger in a Steady State Condition

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Sung-Kyun; Koo, Gyeong-Hoi; Joo, Hyung-Kook; Kim, Jong-Bum [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2015-05-15

    In PGSFR (prototype Gen. IV sodium cooled fast reactor), four cylindrical-shaped intermediate heat exchangers (IHXs) are arranged in the PHTS (primary heat transfer system) to transfer heat generated from primary sodium to secondary sodium. The structural integrity of IHX is ensured by the choice of high ductile materials, and design and construction as per code like ASME. In order to respect the design code rule, the structural integrity evaluation of IHX was reviewed. In this study, the results of its structural integrities in a steady state condition based on ASME BPV Sec. III Division 5 HB are addressed. In this paper, the structural integrities of IHX under the design condition, service level A and B, and service level C load combinations have been reviewed. As a result, it was confirmed that the structural design of IHX is satisfied with ASME BPV Sec. III Division 5 under a steady state condition. In the future, the structural integrities of IHX under a transient condition will be reviewed.

  14. Ionization probabilities of Ne, Ar, Kr, and Xe by proton impact for different initial states and impact energies

    Science.gov (United States)

    Montanari, C. C.; Miraglia, J. E.

    2017-09-01

    In this contribution we present ab initio results for ionization total cross sections, probabilities at zero impact parameter, and impact parameter moments of order +1 and -1 of Ne, Ar, Kr, and Xe by proton impact in an extended energy range from 100 keV up to 10 MeV. The calculations were performed by using the continuum distorted wave eikonal initial state approximation (CDW-EIS) for energies up to 1 MeV, and using the first Born approximation for larger energies. The convergence of the CDW-EIS to the first Born above 1 MeV is clear in the present results. Our inner-shell ionization cross sections are compared with the available experimental data and with the ECPSSR results. We also include in this contribution the values of the ionization probabilities at the origin, and the impact parameter dependence. These values have been employed in multiple ionization calculations showing very good description of the experimental data. Tables of the ionization probabilities are presented, disaggregated for the different initial bound states, considering all the shells for Ne and Ar, the M-N shells of Kr and the N-O shells of Xe.

  15. Two-dimensional Penning ionization electron spectroscopy of open-shell metallocenes: outer valence ionic states of vanadocene and nickelocene.

    Science.gov (United States)

    Kishimoto, Naoki; Kimura, Miku; Ohno, Koichi

    2013-04-11

    In order to investigate outer valence ionic states of open-shell metallocenes, we have applied two-dimensional collision-energy/electron-energy-resolved Penning ionization electron spectroscopy (2D-PIES) upon collision with metastable He*(2(3)S) excited atoms as well as a high level ab initio molecular orbital calculation (the partial third-order quasiparticle theory of the electron propagator (P3)) to ionization from neutral ground states of vanadocene ((4)A2g) and nickelocene ((3)A2g). Assignments of observed Penning ionization electron/He I ultraviolet photoelectron spectra were consistent with the P3 calculation results for ionization of α and β spin electrons except for electron correlation bands observed by PIES. Negative collision energy dependence of partial Penning ionization cross-sections (CEDPICS) indicate attractive interaction with He*(2(3)S) around the molecule. Results by model potential calculation utilizing Li(2(2)S) instead of He*(2(3)S) for interaction between He*(2(3)S) and open-shell metallocenes do not explain the strong negative CEDPICS of the bands observed in PIES.

  16. An intermediate state between the kagome-ice and the fully polarized state in Dy2Ti2O7

    Directory of Open Access Journals (Sweden)

    S. A. Grigera

    2015-05-01

    Full Text Available Dy2Ti2O7 is at present the cleanest example of a spin-ice material. Previous theoretical and experimental work on the first-order transition between the kagome-ice and the fully polarized state has been taken as a validation for the dipolar spin-ice model. Here we investigate in further depth this phase transition using ac-susceptibility and dc-magnetization, and compare this results with Monte-Carlo simulations and previous magnetization and specific heat measurements. We find signatures of an intermediate state between the kagome-ice and full polarization. This signatures are absent in current theoretical models used to describe spin-ice materials. Received: 17 May 2015, Accepted: 12 June 2015; Edited by: A. Vindigni; Reviewed by: M. Perfetti, Dipartimento di Chimica, Universitá di Firenze, Italy; DOI: http://dx.doi.org/10.4279/PIP.070009 Cite as: S A Grigera, R A Borzi, D G Slobinsky, A S Gibbs, R Higashinaka, Y Maeno, T S Grigera, Papers in Physics 7, 070009 (2015

  17. Nuclear matter properties from local chiral interactions with $\\Delta$ isobar intermediate states

    CERN Document Server

    Logoteta, Domenico; Kievsky, Alejandro

    2016-01-01

    Using two-nucleon and three-nucleon interactions derived in the framework of chiral perturbation theory (ChPT) with and without the explicit $\\Delta$ isobar contributions, we calculate the energy per particle of symmetric nuclear matter and pure neutron matter in the framework of the microscopic Brueckner-Hartree-Fock approach. In particular, we present for the first time nuclear matter calculations using the new fully local in coordinate-space two-nucleon interaction at the next-to-next-to-next-to-leading-order (N3LO) of ChPT with $\\Delta$ isobar intermediate states (N3LO$\\Delta$) recently developed by Piarulli et al. [arXiv:1606:06335]. We find that using this N3LO$\\Delta$ potential, supplemented with a local N2LO three-nucleon interaction with explicit $\\Delta$ isobar degrees of freedom, it is possible to obtain a satisfactory saturation point of symmetric nuclear matter. For this combination of two- and three-nucleon interactions we also calculate the nuclear symmetry energy and we compare our results wit...

  18. Spectral behavior of AM Her and QQ Vul in high and intermediate states in the UV

    Science.gov (United States)

    Sanad, M. R.

    2010-12-01

    We present low resolution UV spectra of two polar systems, AM Her and QQ Vul from the observations taken by the IUE (International Ultraviolet Explorer) of the period between 1978-1996 and 1983-1996 for both systems respectively, to accomplish a large scale study of what happens to the ultraviolet flux of C IV 1550 Å spectral line during different orbital phases. Two spectra for both systems showing the variations in line fluxes and line widths at different orbital phases in high and intermediate states are presented. We concentrated on calculating the line fluxes and line widths of C IV 1550 Å emission line originating in the accretion stream. Our results show that there is spectral variability for the aformentioned physical parameters at different times, similar to that known for the light curve (Heise and Verbunt, Astron. Astrophys. 189:112, 1988; Gansicke et al., Astron. Astrophys. 303:127, 1995; Kafka and Honeycutt, Astron. J. 125:2188K, 2003). We attribute it to the variations of both density and temperature as a result of changing the mass transfer rate (Hutchings et al., Astron. J. 123:2841H, 2002; King and Lasota, Astron. Astrophys. 140L:16K, 1984) which is responsible for this spectral variability. Also we found that the line fluxes of AM Her are greater than the line fluxes of QQ Vul, while the line widths of both systems are approximately the same.

  19. Spectro-timing study of GX 339-4 in a hard intermediate state

    CERN Document Server

    Fuerst, F; Tomsick, J A; Bachetti, M; Boggs, S E; Brightman, M; Christensen, F E; Craig, W W; Gandhi, P; Grefenstette, B; Hailey, C J; Harrison, F A; Madsen, K K; Parker, M L; Pottschmidt, K; Stern, D; Walton, D J; Wilms, J; Zhang, W W

    2016-01-01

    We present an analysis of NuSTAR energy and power spectra of the transient accreting black hole GX 339-4 taken in January 2015. The observations took place during a hard intermediate state and the source softened significantly over the course of the 1.3 d-long observation. We perform time-resolved spectral analysis by splitting the data into 21 sub-sets and find that the energy spectrum of all of them can be well described by a power-law continuum with an additional relativistically blurred reflection component. The photon index increases from ~1.69 to ~1.77 over the course of the observation. We find that the best-fit model requires a harder power-law incident on the reflector than that observed as primary continuum. The accretion disk is truncated at around 9 gravitational radii in all spectra. We also perform timing analysis on the same 21 individual data sets, and find a strong type-C quasi-periodic oscillation (QPO), which changes in frequency from ~0.68 to ~1.05 Hz over the course of the observation. Th...

  20. Ionization Potentials and Quantum Defects of 1s2np2P Rydberg States of Lithium Atom

    Institute of Scientific and Technical Information of China (English)

    CHEN Chao

    2008-01-01

    In this work,ionization potentials and quantum effects of 1s2np2p Rydberg states of lithium are calculated based on the calibrated quantum defect function.Energy levels and quantum defects for 1s2np2P bound states and their adjacent continuum states are calculated with the R-matrix theory,and then the quantum defect function of the 1s2np (n ≥ 7) channel is obtained,which varies smoothly with the energy based on the quantum defect theory.The accurate quantum defect of the 1s27p2P state derived from the experimental data is used to calibrate the original quantum defect function.The new function is used to calculate ionization potentials and quantum effects of 1s2np2P (n ≥ 7) Rydberg states.Present calculations are in agreement with recent experimental data in whole.

  1. Nuclear matter properties from local chiral interactions with Δ isobar intermediate states

    Science.gov (United States)

    Logoteta, Domenico; Bombaci, Ignazio; Kievsky, Alejandro

    2016-12-01

    Using two-nucleon and three-nucleon interactions derived in the framework of chiral perturbation theory (ChPT) with and without the explicit Δ isobar contributions, we calculate the energy per particle of symmetric nuclear matter and pure neutron matter in the framework of the microscopic Brueckner-Hartree-Fock approach. In particular, we present for the first time nuclear matter calculations using the new fully local in coordinate-space two-nucleon interaction at the next-to-next-to-next-to-leading-order (N3LO) of ChPT with Δ isobar intermediate states (N 3 LO Δ ) recently developed by Piarulli et al. [arXiv:1606.06335]. We find that using this N 3 LO Δ potential, supplemented with a local N2LO three-nucleon interaction with explicit Δ isobar degrees of freedom, it is possible to obtain a satisfactory saturation point of symmetric nuclear matter. For this combination of two- and three-nucleon interactions we also calculate the nuclear symmetry energy and we compare our results with the empirical constraints on this quantity obtained using the excitation energies to isobaric analog states in nuclei and using experimental data on the neutron skin thickness of heavy nuclei, finding a very good agreement in all the considered nucleonic density range. In addition, we find that the explicit inclusion of Δ isobars diminishes the strength of the three-nucleon interactions needed to get a good saturation point of symmetric nuclear matter. We also compare the results of our calculations with those obtained by other research groups using chiral nuclear interactions with different many-body methods, finding in many cases a very satisfactory agreement.

  2. Electronic structure of tris(2-phenylpyridine)iridium: electronically excited and ionized states

    Science.gov (United States)

    Fine, J.; Diri, K.; Krylov, A. I.; Nemirow, C.; Lu, Z.; Wittig, C.

    2012-08-01

    A computational study of tris(2-phenylpyridine)iridium, Ir(ppy)3, is presented. The perspective is that of using organo-transition-metal complexes as phosphorescent species in light-emitting diodes (OLED's). Quantum yields approaching 100% are possible through a triplet harvesting mechanism. Complexes such as Ir(ppy)3 are amenable to exacting experimental and theoretical studies: small enough to accommodate rigor, yet large enough to support bulk phenomena in a range of host materials. The facial and meridional isomers differ by ∼220 meV, with fac-Ir(ppy)3 having the lower energy. Because fac-Ir(ppy)3 dominates in most environments, focus is on this species. Time-dependent density functional theory using long-range-corrected functionals (BNL and ωB97X) is used to calculate excited states of Ir(ppy)3 and a few low energy states of ? . The calculated T1 - S0 energy gap (2.30 eV) is in reasonable agreement with the experimental value of 2.44 eV. Only a few percent of singlet character in T1 is needed to explain so short a phosphorescence lifetime as 200 ns, because of the large ? and ? absorption cross-sections. Equilibrium geometries are calculated for S0, T1, and the lowest cation state (D0), and several ionization energies are obtained: adiabatic (5.86 eV); vertical from the S0 equilibrium geometry (5.88 eV); and vertical ionization of T1 at its equilibrium geometry (5.87 eV). These agree with a calculation by Hay (5.94 eV), and with the conservative experimental upper bound of 6.4 eV. Molecular orbitals provide qualitative explanations. A calculated UV absorption spectrum, in which transitions are vertical from the S0 equilibrium geometry, agrees with the room temperature experimental spectrum. This is consistent with Franck-Condon factors dominated by ? , as expected given the delocalized nature of the orbitals. Ir(ppy)3 vibrational frequencies were calculated and used to estimate the probability density ? for 500 K, i.e. the temperature at which the

  3. Spatial Distribution of Element Abundances and Ionization States in Solar Energetic-Particle Events

    Science.gov (United States)

    Reames, Donald V.

    2017-08-01

    We have studied the spatial and temporal distribution of abundances of chemical elements in large "gradual" solar energetic-particle (SEP) events, and especially the source plasma temperatures, derived from those abundances, using measurements from the Wind and Solar TErrestrial RElations Observatory (STEREO) spacecraft, widely separated in solar longitude. A power-law relationship between abundance enhancements and mass-to-charge ratios [A/Q] of the ions can be used to determine Q-values and source plasma temperatures at remote spacecraft with instruments that were not designed for charge-state measurements. We search for possible source variations along the accelerating shock wave, finding one clear case where the accelerating shock wave appears to dispatch ions from 3.2± 0.8 MK plasma toward one spacecraft and those from 1.6± 0.2 MK plasma toward another, 116∘ away. The difference persists for three days and then fades away. Three other SEP events show less-extreme variation in source temperatures at different spacecraft, in one case observed over 222∘ in longitude. This initial study shows how the power-law relation between abundance enhancements and ion A/Q-values provides a new technique to determine Q and plasma temperatures in the seed population of SEP ions over a broad region of space using remote spacecraft with instruments that were not originally designed for measurements of ionization states.

  4. Integral elastic, electronic-state, ionization, and total cross sections for electron scattering with furfural

    Science.gov (United States)

    Jones, D. B.; da Costa, R. F.; Varella, M. T. do N.; Bettega, M. H. F.; Lima, M. A. P.; Blanco, F.; García, G.; Brunger, M. J.

    2016-04-01

    We report absolute experimental integral cross sections (ICSs) for electron impact excitation of bands of electronic-states in furfural, for incident electron energies in the range 20-250 eV. Wherever possible, those results are compared to corresponding excitation cross sections in the structurally similar species furan, as previously reported by da Costa et al. [Phys. Rev. A 85, 062706 (2012)] and Regeta and Allan [Phys. Rev. A 91, 012707 (2015)]. Generally, very good agreement is found. In addition, ICSs calculated with our independent atom model (IAM) with screening corrected additivity rule (SCAR) formalism, extended to account for interference (I) terms that arise due to the multi-centre nature of the scattering problem, are also reported. The sum of those ICSs gives the IAM-SCAR+I total cross section for electron-furfural scattering. Where possible, those calculated IAM-SCAR+I ICS results are compared against corresponding results from the present measurements with an acceptable level of accord being obtained. Similarly, but only for the band I and band II excited electronic states, we also present results from our Schwinger multichannel method with pseudopotentials calculations. Those results are found to be in good qualitative accord with the present experimental ICSs. Finally, with a view to assembling a complete cross section data base for furfural, some binary-encounter-Bethe-level total ionization cross sections for this collision system are presented.

  5. 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.

    Science.gov (United States)

    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.

  6. Protein folding, unfolding and aggregation. Pressure induced intermediate states on the refolding pathway of horseradish peroxidase

    Science.gov (United States)

    Smeller, László; Fidy, Judit; Heremans, Karel

    2004-04-01

    We studied the refolding and aggregation of pressure unfolded proteins. Horseradish peroxidase was found to be very stable and no partially folded intermediates were populated during the refolding. However, the removal of the haem group or the Ca2+ ions or reduction of the disulfide bridge destabilized the protein, resulting in a significant amount of aggregation prone intermediate conformation. Substitution of the haem for fluorescent porphyrin however did not influence the refolding of the protein.

  7. The Study of State-Selected Ion-Molecule Reactions using the Vacuum Ultraviolet Pulsed Field Ionization-Photoion Technique

    Science.gov (United States)

    2006-01-01

    challenges of improving the kinetic energy resolu- Very recently, high-level time-dependent quantum mechani - tion in ion-molecule collisional experiments...2006) Copyright 2006 American Institute of Physics 14. ABSTRACT This paper presents the methodology to generate beams of ions in single quantum states...in single quantum states for bimolecular ion-molecule reaction dynamics studies using pulsed field ionization (PFI) of atoms or molecules in high-n

  8. Multiple 'Stable' States of Antarctic Intermediate Water: A Study from the Subantarctic South-West Atlantic.

    Science.gov (United States)

    Roberts, J.; Hodell, D. A.; Peck, V. L.; Kender, S.

    2014-12-01

    Modelling studies suggest that density changes in Antarctic Intermediate Water (AAIW) played a significant role in the reorganisation of Atlantic Meridional Overturning Circulation over the last glacial period. From its principal site of formation in the SE Pacific, a significant proportion of AAIW is entrained in the Antarctic circumpolar current and enters the Atlantic through Drake Passage. Air-sea interaction within the subAntarctic SW Atlantic modifies this AAIW further, producing a cooler and fresher Atlantic end member of AAIW. Our core site is located where this branch of AAIW subducts and travels northwards along the western margin of the Atlantic basin. We present the first high-resolution, multi-proxy study of AAIW in the sub-Antarctic SW Atlantic over the last 140 kyrs. Here, we focus on the temperature and salinity records over the last two glacial terminations and at the onset of the last glaciation. We use a combination of benthic stable isotopes and elemental ratios (Mg/Ca) on the shallow infaunal species Uvigerina peregrina to reconstruct AAIW temperature and salinity. Our records suggest that AAIW temperature both increased and decreased in a step-wise manner over the last 120 kyrs hinting at 3 'stable' states for AAIW through the last glacial cycle (see shaded areas within figure). Another common feature is a transient interval of apparently warm, saline AAIW observed at the onset of both glacial terminations - could this be evidence of the 'deep, salty blob' or of increased outflow of Pacific surface waters? We identify some fundamental differences between termination I and termination II; AAIW appears to have been markedly warmer during MIS6 than at the LGM. Furthermore, the glacial-interglacial potential density difference is much greater over termination I than termination II.

  9. A simple approach to the state-specific MR-CC using the intermediate Hamiltonian formalism.

    Science.gov (United States)

    Giner, E; David, G; Scemama, A; Malrieu, J P

    2016-02-14

    This paper presents a rigorous state-specific multi-reference coupled cluster formulation of the method first proposed by Meller et al. [J. Chem. Phys. 104, 4068 (1996)]. Guess values of the amplitudes of the single and double excitations (the T operator) on the top of the references are extracted from the knowledge of the coefficients of the Multi-Reference Singles and Doubles Configuration Interaction (MR-CISD) matrix. The multiple parentage problem is solved by scaling these amplitudes from the interaction between the references and the singles and doubles. Then one proceeds to a dressing of the MR-CISD matrix under the effect of the triples and quadruples, the coefficients of which are estimated from the action of exp(T). This dressing follows the logic of the intermediate effective Hamiltonian formalism. The dressed MR-CISD matrix is diagonalized and the process is iterated to convergence. As a simplification, the coefficients of the triples and quadruples may in practice be calculated from the action of T(2) only, introducing 5th-order differences in the energies. The so-simplified method is tested on a series of benchmark systems from Complete Active Spaces (CASs) involving 2-6 active electrons up to bond breakings. The comparison with full configuration interaction results shows that the errors are of the order of a few millihartree, five times smaller than those of the CAS-CISD, and the deviation to strict separability is lower than 10 μ hartree. The method is totally uncontracted, parallelizable, and extremely flexible since it may be applied to selected MR and/or selected CISD. Some potential generalizations are briefly discussed.

  10. The direct ionization processes in the collisions of partially stripped carbon and oxygen ions with helium atoms at low-to-intermediate energies

    Institute of Scientific and Technical Information of China (English)

    Zhou Chun-Lin; Shao Jian-Xiong; Chen Xi-Meng; Sun Guang-Zhi; Zou Xian-Rong

    2008-01-01

    The values of direct double- to-single ionization ratio R of helium atoms induced by Cq+,Oq+ (q=1-4) ions at incident energies from 0.2 to 8.5MeV are measured.Based on the existing model (Shao J X,Chen X M and Ding B W 2007 Phys.Rev.A 75 012701) the effective charge of the projectile is introduced to theoretically estimate the value of R for the partially stripped ions impacting on helium atoms.The results calculated from our "effective charge" model are in good agreement with the experimental data,and the dependence of the effective charge on the ionization energy of the projectile is also discussed qualitatively.

  11. NGC 1365: A low column density state unveiling a low ionization disk wind

    CERN Document Server

    Braito, V; Gofford, J; Nardini, E; Porquet, D; Risaliti, G

    2014-01-01

    We present the time-resolved spectral analysis of the XMM-Newton data of NGC 1365, collected during one XMM-Newton observation, which caught this "changing-look" AGN in a high flux state characterized also by a low column density ($N_{\\mathrm{H}}\\sim 10^{22}$ cm $^{-2}$) of the X-ray absorber. During this observation the low energy photoelectric cut-off is at about $\\sim 1$ keV and the primary continuum can be investigated with the XMM-Newton-RGS data, which show strong spectral variability that can be explained as a variable low $N_{\\mathrm{H}}$, which decreased from $N_{\\mathrm{H}} \\sim10^{23}$ cm $^{-2}$ to $10^{22}$ cm $^{-2}$ in a 100 ks time-scale. The spectral analysis of the last segment of the observation revealed the presence of several absorption features that can be associated with an ionized (log $\\xi \\sim 2$ erg cm s$^{-1}$) outflowing wind ($v_{\\mathrm{out}} \\sim 2000$ km s$^{-1}$). We detected for the first time a possible P-Cygni profile of the Mg\\,\\textsc{xii} Ly$\\alpha$ line associated with...

  12. Application of electric field ionization method to detect the high-lying Rydberg states of Eu I

    Institute of Scientific and Technical Information of China (English)

    Jun Xie; Changjian Dai; Ming Li

    2011-01-01

    @@ The 4f76s(9S)np 8PJ (J = 5/2, 7/2, 9/2) Rydberg series converging to the first ionization limit 4f76s 9S4 of the Eu atom using the three-step laser excitation and electric-field-ionization (EFI) method are studied.First, the Eu atom is excited from the 4f76s2 8So7/2 ground state to the 4f76s7s 8So7/2 state through the 4f76s6p 10P9/2 state by the first two dye lasers.Next, it is populated to many higher-n members of the 4f76s(9S)np 8pJ Rydberg series by the third dye laser whose wavelength is scanned within a certain range.%The 4f76s(9S)np 8PJ (J = 5/2, 7/2, 9/2) Rydberg series converging to the first ionization limit 4f76s 9S4 of the Eu atom using the three-step laser excitation and electric-field-ionization (EFI) method are studied.First, the Eu atom is excited from the 4f76s2 8S7o/2 ground state to the 4f76s7s 8S7o/2 state through the 4f76s6p 10P9/2 state by the first two dye lasers. Next, it is populated to many higher-n members of the 4f76s(9S)np 8pJ Rydberg series by the third dye laser whose wavelength is scanned within a certain range.Finally, the atom in these higher-n states is ionized by the external pulsed electric field. With the field strength up to 2 kV/cm, we can detect the atom in 4f76s(9S)np 8pJ states with n ≥ 40. With the given laser line width, the level energies of Rydberg states with n as high as 72 can be determined. We not only confirm the previous data on the 4f76s(9S) np 8pJ Rydberg series, but also extend the n-value assignment significantly by detecting more states.

  13. Measurement of quantum defects of nS and nD states using field ionization spectroscopy in ultracold cesium atoms

    Institute of Scientific and Technical Information of China (English)

    Zhang Lin-Jie; Feng Zhi-Gang; Li An-Ling; Zhao Jian-Ming; Li Chang-Yong; Jia Suo-Tang

    2009-01-01

    This paper reports that ultracold atoms are populated into different nS and nD Rydberg states (n=25~52) by two-photon excitation. The ionization spectrum of an ultracold Rydberg atom is acquired in a cesium magneto-optical trap by using the method of pulse field ionization. This denotes nS and nD states in the ionization spectrum and fits the data of energy levels of different Rydberg states to obtain quantum defects of nS and nD states.

  14. Energy dependent sticking coefficients of trimethylamine on Si(001)-Influence of the datively bonded intermediate state on the adsorption dynamics

    Science.gov (United States)

    Lipponer, M. A.; Reutzel, M.; Dürr, M.; Höfer, U.

    2016-11-01

    The adsorption dynamics of the datively bonded trimethylamine (TMA) on Si(001) was investigated by means of molecular beam techniques. The initial sticking probability s0 of TMA on Si(001) was measured as a function of kinetic energy at two different surface temperatures (230 and 550 K). At given surface temperature, s0 was found to decrease with increasing kinetic energy (0.1 to 0.6 eV) indicating a non-activated reaction channel. At increased surface temperature, s0 is reduced due to the onset of desorption into the gas phase. The energy dependence of s0 is compared to the results for the adsorption of tetrahydrofuran (THF) on Si(001), which reacts via a datively bonded intermediate into a covalently bound final state. As s0 follows the same energy dependence both for TMA and THF, the datively bonded intermediate state is concluded to dominate the reaction dynamics in the latter case as well.

  15. Impact parameter moments for ionization of Ne, Ar, Kr, and Xe by protons, considering different initial states and impact energies

    CERN Document Server

    Miraglia, J E

    2016-01-01

    Tables of ab-initio total cross sections, probabilities at zero impact parameter, and impact parameter moments are presented concerning the ionization of Ne, Ar, Kr, and Xe by proton impact in the energy range (0.1-10) MeV. Calculations correspond to the continuum distorted wave eikonal initial state approximation (CDW-EIS) for energies up to 1MeV, and to the first Born approximation for larger energies. Results displayed in the tables are disaggregated for the different initial bound states, considering all shells for Ne and Ar, L-M-N shells of Kr and M-N-O shells of Xe. Our inner-shell ionization cross sections are compared with the available experimental data and with the ECPSSR results.

  16. Predominance of the second-order, two-step mechanism in the electron impact double ionization of helium at intermediate impact energy

    Energy Technology Data Exchange (ETDEWEB)

    Lahmam-Bennani, A; Casagrande, E M Staicu; Naja, A [Institut des Sciences Moleculaires d' Orsay (ISMO), Universite Paris-Sud 11, Bat. 351, 91405 Orsay Cedex (France); Dal Cappello, C [Laboratoire de Physique Moleculaire et des Collisions, ICPMB (FR 2843), Institut de Physique, Universite Paul Verlaine-Metz, 1 rue Arago, 57078 Metz Cedex 3 (France); Bolognesi, P, E-mail: azzedine.bennani@u-psud.f [CNR-IMIP, Area della Ricerca di Roma 1, CP 10, 00016 Monterotondo Scalo (Italy)

    2010-05-28

    The (e,3-1e) four-fold differential cross sections (4DCS) are measured for the double ionization of helium in coplanar asymmetric geometry for a wide range of ejected electron energies and at an incident energy of about 600 eV. The experimental angular distributions of the 4DCS are characterized by large angular shifts of the forward and backward lobes with respect to the momentum transfer direction or its opposite, respectively. This validates our previously published results (Lahmam-Bennani et al 2002 J. Phys. B: At. Mol. Opt. Phys. 35 L59) which were questioned by Goetz et al (2003 J. Phys. B: At. Mol. Opt. Phys. 36 L77). A qualitative, kinematical analysis is given which allows relating these shifts and the observed structures in the intensity distributions to the second-order, 'two-step 2' double ionization mechanism, which is shown to predominate over the first-order 'shake-off' and 'two-step 1' mechanisms under the present kinematics.

  17. Total and single differential cross sections for the electron impact ionization of the ground state of helium

    Energy Technology Data Exchange (ETDEWEB)

    Singh, T.S.C. [Thoubal Coll., Manipur (India). Dept. of Phys.; Choudhury, K.B. [B.K.C. Coll., Calcutta (India). Dept. of Phys.; Singh, M.B. [Manipur Univ. (India). Sch. of Sci.; Deb, N.C. [Indian Association for the Cultivation of Science, Calcutta (India). Dept. of Theoretical Physics; Mukherjee, S.C. [Indian Association for the Cultivation of Science, Calcutta (India). Dept. of Theoretical Physics; Mazumdar, P.S. [Manipur Univ. (India). Sch. of Sci.

    1997-04-01

    Total cross sections (TCS) and single differential cross sections (SDCS) have been computed for the single ionization of the ground state of helium by electron impact in a distorted wave formalism which takes into account the effects of the initial and final channel distortions. The present TCS and SDCS results are in fair agreement with the measured values and other theoretical predictions for the incident electron energy E{sub i} > 150 eV. (orig.).

  18. The Chemi-Ionization Processes in Slow Collisions of Rydberg Atoms with Ground State Atoms: Mechanism and Applications

    OpenAIRE

    Mihajlov, A. A.; Sreckovic, V. A.; Ignjatovic, Lj. M.; Klyucharev, A. N.

    2012-01-01

    In this article the history and the current state of research of the chemiionization processes in atom-Rydberg atom collisions is presented. The principal assumptions of the model of such processes based on the dipole resonance mechanism, as well as the problems of stochastic ionization in atom-Rydberg atom collisions, are exposed. The properties of the collision kinetics in atom beams of various types used in contemporary experimentations are briefly described. Results of the calculation of ...

  19. Ionization Energies of Lanthanides

    Science.gov (United States)

    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…

  20. Radio Detections During Two State Transitions of the Intermediate-Mass Black Hole HLX-1

    Science.gov (United States)

    Webb, Natalie; Cseh, David; Lenc, Emil; Godet, Olivier; Barret, Didier; Corbel, Stephane; Farrell, Sean; Fender, Robert; Gehrels, Neil; Heywood, Ian

    2012-01-01

    Relativistic jets are streams of plasma moving at appreciable fractions of the speed of light. They have been observed from stellar-mass black holes (approx. 3 to 20 solar masses) as well as supermassive black holes (approx.. 10(exp 6) to 10(exp 9) Solar Mass) found in the centers of most galaxies. Jets should also be produced by intermediate-mass black holes (approx. 10(exp 2) to 10(exp 5) Solar Mass), although evidence for this third class of black hole has, until recently, been weak. We report the detection of transient radio emission at the location of the intermediate-mass black hole candidate ESO 243-49 HLX-1, which is consistent with a discrete jet ejection event. These observations also allow us to refine the mass estimate of the black hole to be between approx. 9 × 10(exp 3) Solar Mass and approx. 9 × 10(exp 4) Solar Mass.

  1. Radio detections during two state transitions of the intermediate-mass black hole HLX-1.

    Science.gov (United States)

    Webb, Natalie; Cseh, David; Lenc, Emil; Godet, Olivier; Barret, Didier; Corbel, Stephane; Farrell, Sean; Fender, Robert; Gehrels, Neil; Heywood, Ian

    2012-08-01

    Relativistic jets are streams of plasma moving at appreciable fractions of the speed of light. They have been observed from stellar-mass black holes (~3 to 20 solar masses, M(⊙)) as well as supermassive black holes (~10(6) to 10(9) M(⊙)) found in the centers of most galaxies. Jets should also be produced by intermediate-mass black holes (~10(2) to 10(5) M(⊙)), although evidence for this third class of black hole has, until recently, been weak. We report the detection of transient radio emission at the location of the intermediate-mass black hole candidate ESO 243-49 HLX-1, which is consistent with a discrete jet ejection event. These observations also allow us to refine the mass estimate of the black hole to be between ~9 × 10(3) M(⊙) and ~9 × 10(4) M(⊙).

  2. A review on phosphate based, solid state, protonic conductors for intermediate temperature fuel cells.

    Science.gov (United States)

    Paschos, O; Kunze, J; Stimming, U; Maglia, F

    2011-06-15

    The electrolytes currently used for proton exchange membrane fuel cells are mainly based on polymers such as Nafion which limits the operation regime of the cell to ∼80 °C. Solid oxide fuel cells operate at much elevated temperatures compared to proton exchange membrane fuel cells (∼1000 °C) and employ oxide electrolytes such as yttrium stabilized zirconia and gadolinium doped ceria. So far an intermediate temperature operation regime (300 °C) has not been widely explored which would open new pathways for novel fuel cell systems. In this review we summarize the potential use of phosphate compounds as electrolytes for intermediate temperature fuel cells. Various examples on ammonium polyphosphate, pyrophosphate, cesium phosphate and other phosphate based electrolytes are presented and their preparation methods, conduction mechanism and conductivity values are demonstrated.

  3. A review on phosphate based, solid state, protonic conductors for intermediate temperature fuel cells

    Energy Technology Data Exchange (ETDEWEB)

    Paschos, O; Kunze, J; Stimming, U [Department of Physics E19, Technische Universitaet Muenchen, James-Franck-Strasse 1, D-85748, Garching (Germany); Maglia, F, E-mail: odysseas.paschos@ph.tum.de [Dipartimento di Chimica Fisica ' M Rolla' , Universita di Pavia, Viale Taramelli 16, 27100 Pavia (Italy)

    2011-06-15

    The electrolytes currently used for proton exchange membrane fuel cells are mainly based on polymers such as Nafion which limits the operation regime of the cell to {approx} 80 {sup 0}C. Solid oxide fuel cells operate at much elevated temperatures compared to proton exchange membrane fuel cells ({approx}1000 {sup 0}C) and employ oxide electrolytes such as yttrium stabilized zirconia and gadolinium doped ceria. So far an intermediate temperature operation regime (300 {sup 0}C) has not been widely explored which would open new pathways for novel fuel cell systems. In this review we summarize the potential use of phosphate compounds as electrolytes for intermediate temperature fuel cells. Various examples on ammonium polyphosphate, pyrophosphate, cesium phosphate and other phosphate based electrolytes are presented and their preparation methods, conduction mechanism and conductivity values are demonstrated.

  4. Effect of intermediate principal stress on strength of soft rock under complex stress states

    Institute of Scientific and Technical Information of China (English)

    马宗源; 廖红建; 党发宁

    2014-01-01

    A series of numerical simulations of conventional and true triaxial tests for soft rock materials using the three-dimensional finite difference code FLAC3D were presented. A hexahedral element and a strain hardening/softening constitutive model based on the unified strength theory (UST) were used to simulate both the consolidated-undrained (CU) triaxial and the consolidated-drained (CD) true triaxial tests. Based on the results of the true triaxial tests simulation, the effect of the intermediate principal stress on the strength of soft rock was investigated. Finally, an example of an axial compression test for a hard rock pillar with a soft rock interlayer was analyzed using the two-dimensional finite difference code FLAC. The CD true triaxial test simulations for diatomaceous soft rock suggest the peak and residual strengths increase by 30%when the effect of the intermediate principal stress is taken into account. The axial compression for a rock pillar indicated the peak and residual strengths increase six-fold when the soft rock interlayer approached the vertical and the effect of the intermediate principal stress is taken into account.

  5. Post-prior discrepancies in the continuum distorted wave-eikonal initial state approximation for ion-helium ionization

    Energy Technology Data Exchange (ETDEWEB)

    Ciappina, M F [CONICET and Departamento de Fisica, Universidad Nacional del Sur, 8000 Bahia Blanca (Argentina); Cravero, W R [CONICET and Departamento de Fisica, Universidad Nacional del Sur, 8000 Bahia Blanca (Argentina); Garibotti, C R [CONICET and Division Colisiones Atomicas, Centro Atomico Bariloche, 8400 Bariloche (Argentina)

    2003-09-28

    We have explored post-prior discrepancies within continuum distorted wave-eikonal initial state theory for ion-atom ionization. Although there are no post-prior discrepancies when electron-target initial and final states are exact solutions of the respective Hamiltonians, discrepancies do arise for multielectronic targets, when a hydrogenic continuum with effective charge is used for the final electron-residual target wavefunction. We have found that the prior version calculations give better results than the post version, particularly for highly charged projectiles. We have explored the reasons for this behaviour and found that the prior version shows less sensitivity to the choice of the final state. The fact that the perturbation potentials operate upon the initial state suggests that the selection of the initial bound state is relatively more important than the final continuum state for the prior version.

  6. The identification of autoionizing states of atomic chromium for the resonance ionization laser ion source of the ISOLDE radioactive ion beam facility

    Science.gov (United States)

    Day Goodacre, T.; Chrysalidis, K.; Fedorov, D. V.; Fedosseev, V. N.; Marsh, B. A.; Molkanov, P. L.; Rossel, R. E.; Rothe, S.; Seiffert, C.

    2017-03-01

    This paper presents the results of an investigation into autoionizing states of atomic chromium, in the service of the resonance ionization laser ion source (RILIS): the principal ion source of the ISOLDE radioactive ion beam facility based at CERN. The multi-step resonance photo-ionization process enables element selective ionization which, in combination with mass separation, allows isotope specific selectivity in the production of radioactive ion beams at ISOLDE. The element selective nature of the process requires a multi-step "ionization scheme" to be developed for each element. Using the method of in-source resonance ionization spectroscopy, an optimal three-step, three-resonance photo-ionization scheme originating from the 3d5(6S)4s a7S3 atomic ground state has been developed for chromium. The scheme uses an ionizing transition to one of the 15 newly observed autoionizing states reported here. Details of the spectroscopic studies are described and the new ionization scheme is summarized.

  7. The generation of a pair of photons from superexcited states of nitric oxide around the double ionization potential

    Energy Technology Data Exchange (ETDEWEB)

    Odagiri, Takeshi; Funatsu, Keishou; Tanabe, Takehiko; Kitajima, Masashi; Kouchi, Noriyuki [Department of Chemistry, Tokyo Institute of Technology, O-okayama 2-12-1, Meguro-ku, Tokyo 152-8551 (Japan); Suzuki, Isao H, E-mail: odagiri.t.aa@m.titech.ac.j [Photon Factory, IMSS, KEK, Tsukuba, Ibaraki 305-0801 (Japan)

    2009-11-28

    The cross sections for the generation of a fluorescence photon pair following photoexcitation of NO, differential with respect to the solid angles of the emission directions of the two photons, have been measured as a function of incident photon energy to investigate superexcited states of NO in the inner-valence range, in particular around the double ionization potential. Superexcited states of NO in the range 25-47 eV have been newly found as resonance peaks in the cross-section curve. We determined that the superexcited states are singly inner-valence excited and multiply excited states of NO. It is remarkable that there exist superexcited states of NO dissociating into neutral fragments even in the range above the double ionization potential at 38.476 eV. A dip in the cross-section curve is observed around 40 eV; the origin is discussed in terms of the decay dynamics of the superexcited states embedded in the double electronic continuum.

  8. FIRST SPECTROSCOPIC EVIDENCE FOR HIGH IONIZATION STATE AND LOW OXYGEN ABUNDANCE IN Ly{alpha} EMITTERS ,

    Energy Technology Data Exchange (ETDEWEB)

    Nakajima, Kimihiko; Shimasaku, Kazuhiro; Hashimoto, Takuya; Ono, Yoshiaki [Department of Astronomy, Graduate School of Science, University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan); Ouchi, Masami [Kavli Institute for the Physics and Mathematics of the Universe (WPI), University of Tokyo, 5-1-5 Kashiwanoha, Kashiwa, Chiba 277-8583 (Japan); Lee, Janice C., E-mail: nakajima@astron.s.u-tokyo.ac.jp [Space Telescope Science Institute, Baltimore, MD 21218 (United States)

    2013-05-20

    We present results from Keck/NIRSPEC and Magellan/MMIRS follow-up spectroscopy of Ly{alpha} emitters (LAEs) at z = 2.2 identified in our Subaru narrowband survey. We successfully detect H{alpha} emission from seven LAEs, and perform a detailed analysis of six LAEs free from active galactic nucleus activity, two out of which, CDFS-3865 and COSMOS-30679, have [O II] and [O III] line detections. They are the first [O II]-detected LAEs at high-z, and their [O III]/[O II] ratios and R23-indices provide the first simultaneous determinations of ionization parameter and oxygen abundance for LAEs. CDFS-3865 has a very high ionization parameter (q{sub ion}=2.5{sup +1.7}{sub -0.8} Multiplication-Sign 10{sup 8} cm s{sup -1}) and a low oxygen abundance (12+ log (O/H)=7.84{sup +0.24}{sub -0.25}) in contrast with moderate values of other high-z galaxies such as Lyman break galaxies (LBGs). COSMOS-30679 also possesses a relatively high ionization parameter (q{sub ion}=8{sup +10}{sub -4} Multiplication-Sign 10{sup 7} cm s{sup -1}) and a low oxygen abundance (12+ log (O/H)=8.18{sup +0.28}{sub -0.28}). Both LAEs appear to fall below the mass-metallicity relation of z {approx} 2 LBGs. Similarly, a low metallicity of 12 + log (O/H) < 8.4 is independently indicated for typical LAEs from a composite spectrum and the [N II]/H{alpha} index. Such high ionization parameters and low oxygen abundances can be found in local star-forming galaxies, but this extreme local population occupies only {approx}0.06% of the Sloan Digital Sky Survey spectroscopic galaxy sample with a number density {approx}100 times smaller than that of LAEs. With their high ionization parameters and low oxygen abundances, LAEs would represent an early stage of galaxy formation dominated by massive stars in compact star-forming regions. High-q{sub ion} galaxies like LAEs would produce ionizing photons efficiently with a high escape fraction achieved by density-bounded H II regions, which would significantly contribute to

  9. Establishing the Intermediate Unit.

    Science.gov (United States)

    Pennsylvania State Dept. of Education, Harrisburg.

    The State of Pennsylvania Act 102 establishes a system of 29 intermediate units, creates intermediate unit boards of directors, spells out their duties and functions, and provides a system of financing their operations. This handbook has been prepared by the Pennsylvania Department of Education to provide intermediate unit boards of directors,…

  10. Theoretical analysis of ionic autoionization spectra of lanthanum via an intermediate state [Xe]5d6d ~1P_1

    Institute of Scientific and Technical Information of China (English)

    Zhong Yin-Peng; Jia Feng-Dong; Zhong Zhi-Ping

    2009-01-01

    In the framework of multi-channel quantum defect theory, eigenquantum defects μ_α and the transformation matrices U_(iα) of La~+ are calculated from first principles by relativistic multi-channel theory, while the dipole matrix elements D_α are obtained by fitting with experimental data. Then the ionic autoionization spectra of lanthanum via the intermediate state [Xe]5d6d ~1P_1 in the energy region of 90213-91905 cm~(-1) are obtained. Experimental peaks are classified and assigned by comparing with the corresponding calculated spectra. More specifically, four ionic autoionization Rydberg series converging to La~(2+) 5d_(5/2) ~2D_(5/2) and several states converging to higher lying states of La~(2+) are found and assigned.

  11. Unfolding simulations of holomyoglobin from four mammals: identification of intermediates and β-sheet formation from partially unfolded states.

    Directory of Open Access Journals (Sweden)

    Pouria Dasmeh

    Full Text Available Myoglobin (Mb is a centrally important, widely studied mammalian protein. While much work has investigated multi-step unfolding of apoMb using acid or denaturant, holomyoglobin unfolding is poorly understood despite its biological relevance. We present here the first systematic unfolding simulations of holoMb and the first comparative study of unfolding of protein orthologs from different species (sperm whale, pig, horse, and harbor seal. We also provide new interpretations of experimental mean molecular ellipticities of myoglobin intermediates, notably correcting for random coil and number of helices in intermediates. The simulated holoproteins at 310 K displayed structures and dynamics in agreement with crystal structures (R g ~1.48-1.51 nm, helicity ~75%. At 400 K, heme was not lost, but some helix loss was observed in pig and horse, suggesting that these helices are less stable in terrestrial species. At 500 K, heme was lost within 1.0-3.7 ns. All four proteins displayed exponentially decaying helix structure within 20 ns. The C- and F-helices were lost quickly in all cases. Heme delayed helix loss, and sperm whale myoglobin exhibited highest retention of heme and D/E helices. Persistence of conformation (RMSD, secondary structure, and ellipticity between 2-11 ns was interpreted as intermediates of holoMb unfolding in all four species. The intermediates resemble those of apoMb notably in A and H helices, but differ substantially in the D-, E- and F-helices, which interact with heme. The identified mechanisms cast light on the role of metal/cofactor in poorly understood holoMb unfolding. We also observed β-sheet formation of several myoglobins at 500 K as seen experimentally, occurring after disruption of helices to a partially unfolded, globally disordered state; heme reduced this tendency and sperm-whale did not display any sheet propensity during the simulations.

  12. The optical jet of RW Aurigae: excitation temperature and ionization state from long-slit spectra.

    Science.gov (United States)

    Bacciotti, F.; Hirth, G. A.; Natta, A.

    1996-06-01

    The physical properties of the optical jet associated with the T Tauri star RW Aurigae are discussed. The excitation temperature, the hydrogen ionization fraction, the electron and gas densities are estimated in various positions along the flow axis using a diagnostic technique originally developed for the study of the physical conditions in highly collimated Herbig-Haro jets (Bacciotti, Chiuderi & Oliva 1995). The receding portion of the jet (red lobe) has an ionization fraction which is slowly decreasing from about 25% near the star to about 2% at a distance of 6-7" (~1000AU); the hydrogen density is roughly constant with a value of about 10^4^cm^-3^; the temperature shows a slight decline, with typical values of about 4500K. These results are consistent with the idea that the gas is initially ionized in the jet acceleration zone and that the physical conditions in the visible part of the jet are determined by time-dependent hydrogen recombination. It has not been possible to obtain any result for the blue lobe, due to the weakness of the [SII] 6716,6731A lines. The mass-loss and momentum rate in the flow (red lobe) are ˙(M)~5x10^-8^Msun_/yr and ˙(P)~6.5x10^-6^Msun_/yr.km/s.

  13. Matrix assisted ionization in vacuum, a sensitive and widely applicable ionization method for mass spectrometry.

    Science.gov (United States)

    Trimpin, Sarah; Inutan, Ellen D

    2013-05-01

    An astonishingly simple new method to produce gas-phase ions of small molecules as well as proteins from the solid state under cold vacuum conditions is described. This matrix assisted ionization vacuum (MAIV) mass spectrometry (MS) method produces multiply charged ions similar to those that typify electrospray ionization (ESI) and uses sample preparation methods that are nearly identical to matrix-assisted laser desorption/ionization (MALDI). Unlike these established methods, MAIV does not require a laser or voltage for ionization, and unlike the recently introduced matrix assisted ionization inlet method, does not require added heat. MAIV-MS requires only introduction of a crystalline mixture of the analyte incorporated with a suitable small molecule matrix compound such as 3-nitrobenzonitrile directly to the vacuum of the mass spectrometer. Vacuum intermediate pressure MALDI sources and modified ESI sources successfully produce ions for analysis by MS with this method. As in ESI-MS, ion formation is continuous and, without a laser, little chemical background is observed. MAIV, operating from a surface offers the possibility of significantly improved sensitivity relative to atmospheric pressure ionization because ions are produced in the vacuum region of the mass spectrometer eliminating losses associated with ion transfer from atmospheric pressure to vacuum. Mechanistic aspects and potential applications for this new ionization method are discussed.

  14. Ionization of EPA contaminants in direct and dopant-assisted atmospheric pressure photoionization and atmospheric pressure laser ionization.

    Science.gov (United States)

    Kauppila, Tiina J; Kersten, Hendrik; Benter, Thorsten

    2015-06-01

    Seventy-seven EPA priority environmental pollutants were analyzed using gas chromatography-mass spectrometry (GC-MS) equipped with an optimized atmospheric pressure photoionization (APPI) and an atmospheric pressure laser ionization (APLI) interface with and without dopants. The analyzed compounds included e.g., polycyclic aromatic hydrocarbons (PAHs), nitro compounds, halogenated compounds, aromatic compounds with phenolic, acidic, alcohol, and amino groups, phthalate and adipatic esters, and aliphatic ethers. Toluene, anisole, chlorobenzene, and acetone were tested as dopants. The widest range of analytes was ionized using direct APPI (66/77 compounds). The introduction of dopants decreased the amount of compounds ionized in APPI (e.g., 54/77 with toluene), but in many cases the ionization efficiency increased. While in direct APPI the formation of molecular ions via photoionization was the main ionization reaction, dopant-assisted (DA) APPI promoted ionization reactions, such as charge exchange and proton transfer. Direct APLI ionized a much smaller amount of compounds than APPI (41/77 compounds), showing selectivity towards compounds with low ionization energies (IEs) and long-lived resonantly excited intermediate states. DA-APLI, however, was able to ionize a higher amount of compounds (e.g. 51/77 with toluene), as the ionization took place entirely through dopant-assisted ion/molecule reactions similar to those in DA-APPI. Best ionization efficiency in APPI and APLI (both direct and DA) was obtained for PAHs and aromatics with O- and N-functionalities, whereas nitro compounds and aliphatic ethers were the most difficult to ionize. Halogenated aromatics and esters were (mainly) ionized in APPI, but not in APLI.

  15. Multi-photon ionization and fragmentation of uracil: Neutral excited-state ring opening and hydration effects

    Energy Technology Data Exchange (ETDEWEB)

    Barc, B.; Ryszka, M.; Spurrell, J.; Dampc, M.; Limão-Vieira, P.; Parajuli, R.; Mason, N. J.; Eden, S. [Department of Physical Sciences, The Open University, Walton Hall, Milton Keynes MK7 6AA (United Kingdom)

    2013-12-28

    Multi-photon ionization (MPI) of the RNA base uracil has been studied in the wavelength range 220–270 nm, coinciding with excitation to the S{sub 2}(ππ*) state. A fragment ion at m/z = 84 was produced by 2-photon absorption at wavelengths ≤232 nm and assigned to C{sub 3}H{sub 4}N{sub 2}O{sup +} following CO abstraction. This ion has not been observed in alternative dissociative ionization processes (notably electron impact) and its threshold is close to recent calculations of the minimum activation energy for a ring opening conical intersection to a σ(n-π)π* closed shell state. Moreover, the predicted ring opening transition leaves a CO group at one end of the isomer, apparently vulnerable to abstraction. An MPI mass spectrum of uracil-water clusters is presented for the first time and compared with an equivalent dry measurement. Hydration enhances certain fragment ion pathways (particularly C{sub 3}H{sub 3}NO{sup +}) but represses C{sub 3}H{sub 4}N{sub 2}O{sup +} production. This indicates that hydrogen bonding to water stabilizes uracil with respect to neutral excited-state ring opening.

  16. A priori calculations of hyperfine interactions in highly ionized atoms: g-factor measurements on aligned pico-second states populated in nuclear reactions

    Energy Technology Data Exchange (ETDEWEB)

    Stone, N. J., E-mail: n.stone@physics.ox.ac.uk; Stone, J. R. [University of Oxford (United Kingdom); Jonsson, P. [Malmo University (Sweden)

    2010-04-15

    Calculations of hyperfine interaction strength and life-times of states in highly ionized atoms, using the GRASP atomic structure package, are reported. The calculations aim at providing calibration for Recoil-in-Vacuum nuclear excited state g-factor measurements. The method is outlined and results compared with experiment. Inclusion of decay of higher electronic states is discussed.

  17. Structures of intermediate transport states of ZneA, a Zn(II)/proton antiporter

    Science.gov (United States)

    Pak, John Edward; Ekendé, Elisabeth Ngonlong; Kifle, Efrem G.; O’Connell, Joseph Daniel; De Angelis, Fabien; Tessema, Meseret B.; Derfoufi, Kheiro-Mouna; Robles-Colmenares, Yaneth; Robbins, Rebecca A.; Goormaghtigh, Erik; Vandenbussche, Guy; Stroud, Robert M.

    2013-01-01

    Efflux pumps belonging to the ubiquitous resistance–nodulation–cell division (RND) superfamily transport substrates out of cells by coupling proton conduction across the membrane to a conformationally driven pumping cycle. The heavy metal-resistant bacteria Cupriavidus metallidurans CH34 relies notably on as many as 12 heavy metal efflux pumps of the RND superfamily. Here we show that C. metallidurans CH34 ZneA is a proton driven efflux pump specific for Zn(II), and that transport of substrates through the transmembrane domain may be electrogenic. We report two X-ray crystal structures of ZneA in intermediate transport conformations, at 3.0 and 3.7 Å resolution. The trimeric ZneA structures capture protomer conformations that differ in the spatial arrangement and Zn(II) occupancies at a proximal and a distal substrate binding site. Structural comparison shows that transport of substrates through a tunnel that links the two binding sites, toward an exit portal, is mediated by the conformation of a short 14-aa loop. Taken together, the ZneA structures presented here provide mechanistic insights into the conformational changes required for substrate efflux by RND superfamily transporters. PMID:24173033

  18. Formation of Organometallic Intermediate States in On-Surface Ullmann Couplings.

    Science.gov (United States)

    Barton, Dennis; Gao, Hong-Ying; Held, Philipp Alexander; Studer, Armido; Fuchs, Harald; Doltsinis, Nikos L; Neugebauer, Johannes

    2017-02-17

    Possible origins of the formation of organometallic intermediates in on-surface Ullmann couplings have been investigated by surface tunneling microscopy (STM) and density functional theory (DFT) calculations. We consider the case of iodobenzenes on the coinage metals Au, Ag and Cu. We found experimental evidence for the formation of surface vacancies and the presence of metal adatoms in these coupling reactions, which are taken as a hint for the reactive extraction of surface atoms by adsorbates. In a second step, we demonstrate by ab initio molecular dynamics calculations for aryl-iodides on copper that metal atoms can be pulled out of the surface to form metalorganic species. By contrast, a thermally activated provision of a metal atom from the surface to form an adatom is energetically unfavourable. Finally, we investigate the mechanism and energetics of the reactive extraction of surface metal atoms by means of (climbing-image) nudged-elastic-band density-functional theory calculations for iodobenzene on copper, silver and gold, and analyze our results in the light of the experimental findings.

  19. Structural Insights of the Cysteine Protease Heynein from Induction and Characterization of Non-native Intermediate States

    Directory of Open Access Journals (Sweden)

    Basant K. Patel

    2010-12-01

    Full Text Available Cysteine proteases are vital to cell physiology and many plants secrete these proteases for defense purposes. Many recent studies have reported unusually high stabilities for several plant cysteine proteases which possibly enable these proteases to function under adverse environmental conditions. Here, we have examined the conformational features of a new plant cysteine protease heynein using spectroscopic tools to understand the basis for its robust functional stability. The studies revealed structural integrity over a wide range of pH (2.5-12.0, temperature (65 oC and urea (8M. However, at pH 2.0, the protein gets acid-unfolded (UA -state with exposed hydrophobic patches, which upon addition of more protons (pH 0.5 or anions (0.5 M KCl and 0.2 M Na2 SO4 yields conformationally distinct refolded intermediates respectively termed: A-, I 1 - and I 2 -states. Strikingly, a high methanol level drives the UA -state into a predominantly -sheet rich conformation (O-state. We observed three-state unfolding kinetics of the I 2 -state by urea, possibly suggesting presence of two domains in the heynein molecule.

  20. Crystalline state photoreactions direct observation of reaction processes and metastable intermediates

    CERN Document Server

    Ohashi, Yuji

    2014-01-01

    Offering some 300 references, this book focuses on chemical reactions in the crystalline state. The reactions span many fields in inorganic and organic chemistry, making this a useful resource for inorganic, organic and physical chemists and graduate students.

  1. Microscopic Evidence of a Crossover to a Low-Temperature Intermediate Valence State in YbCo2Zn20

    Science.gov (United States)

    Mito, Takeshi; Hara, Hiroki; Ishida, Takuma; Nakagawara, Keitaro; Koyama, Takehide; Ueda, Koichi; Kohara, Takao; Ishida, Kenji; Matsubayashi, Kazuyuki; Saiga, Yuta; Uwatoko, Yoshiya

    2013-10-01

    The low-temperature properties of YbCo2Zn20, which shows a giant specific heat at low temperatures, have been studied by the 59Co-nuclear quadrupole resonance (NQR) technique. The measurement of spin lattice relaxation rate reveals that Yb 4f-electrons unusually persist in a well-localized regime down to at least 0.3 K without ordering magnetically. With further lowering temperature, NQR frequency decreases below 0.2 K reflecting the low-temperature Fermi liquid state, even suggesting a crossover to an intermediate valence state in close proximity to the localized--delocalzied transition. We also compare the observed unique properties of YbCo2Zn20 with those of YbRh2Si2, which shows antiferromagnetic ordering at extremely low temperature.

  2. A mechanism for ionization of nonvolatile compounds in mass spectrometry: considerations from MALDI and inlet ionization.

    Science.gov (United States)

    Trimpin, Sarah; Wang, Beixi; Inutan, Ellen D; Li, Jing; Lietz, Christopher B; Harron, Andrew; Pagnotti, Vincent S; Sardelis, Diana; McEwen, Charles N

    2012-10-01

    Mechanistic arguments relative to matrix-assisted laser desorption/ionization (MALDI) mass spectrometry (MS) address observations that predominately singly charged ions are detected. However, recently a matrix assisted laser ablation method, laserspray ionization (LSI), was introduced that can use the same sample preparation and laser as MALDI, but produce highly charged ions from proteins. In MALDI, ions are generated from neutral molecules by the photon energy provided to a matrix, while in LSI ions are produced inside a heated inlet tube linking atmospheric pressure and the first vacuum region of the mass spectrometer. Some LSI matrices also produce highly charged ions with MALDI ion sources operated at intermediate pressure or high vacuum. The operational similarity of LSI to MALDI, and the large difference in charge states observed by these methods, provides information of fundamental importance to proposed ionization mechanisms for LSI and MALDI. Here, we present data suggesting that the prompt and delayed ionization reported for vacuum MALDI are both fast processes relative to producing highly charged ions by LSI. The energy supplied to produce these charged clusters/droplets as well as their size and time available for desolvation are determining factors in the charge states of the ions observed. Further, charged droplets/clusters may be a common link for ionization of nonvolatile compounds by a variety of MS ionization methods, including MALDI and LSI.

  3. Investigation of some Rydberg states of ketene by two-photon resonance-enhanced multiphoton ionization spectroscopy

    Science.gov (United States)

    Wang, Shiliang; Shi, Yujun; Dénommée, Stéphane; Simard, Benoit; Lee, Yuan-Pern

    2003-10-01

    Rydberg states of CH2CO and CD2CO in the 54 000-72 000 cm-1 spectral range have been reinvestigated using two-photon resonance-enhanced multiphoton-ionization spectroscopy. Improved resolution and sensitivity has allowed for identifications of more Rydberg states than in previous work. Based on an analysis of rotational structures and quantum defects and a comparison with the results of theoretical calculations, transitions to the 3pz, 4py, 4pz, and 5py, three components of 4d, and two components of 4f Rydberg states with a ground-state ionic core (X˜ 2B1) are identified. Several transitions have been reassigned. Vibrational wave numbers indicate that the geometry of the [X˜ 2B1]3py(1A2) state is almost identical to that of the corresponding cation in its ground electronic state, with C2v symmetry, whereas that of the [X˜ 2B1]3px(1A1) state differs significantly from those of the neutral molecule and the cation in their ground states, consistent with previous quantum chemical calculations that indicated that the [X˜ 2B1]3px(1A1) state has Cs symmetry. The energy ordering of the three components of the 3p Rydberg states is found to be 3pxout-of-plane bending, CH2 or CD2 wagging) and b2 symmetries (e.g., C=C=O in-plane bending) are observed in several Rydberg states of CH2CO and CD2CO.

  4. Excitation of 0/sup -/ states in reactions of proton inelastic scattering at intermediate energies

    Energy Technology Data Exchange (ETDEWEB)

    Vdovin, A.I.; Gareev, F.A.; Ershov, S.N.; Mora, M.; Ponomarev, V.Y.

    1986-08-01

    In the distorted-wave impulse approximation we calculate the excitation of one-phonon states with L/sup ..pi../ = 0/sup -/ of the /sup 90/Zr nucleus in inelastic proton scattering at E/sub p/ = 200 MeV. The central and tensor interactions of the incident proton and the nucleons of the nucleus are taken into account and it is shown that the tensor interaction plays an important role. The effects of exchange knockout are taken into account by means of a nonlocal form factor. The structure and transition densities of 0/sup -/ states are calculated with a separable spin-dipole interaction. The possibility of observation of the isovector 0/sup -/ resonance in ( p,p') scattering is discussed.

  5. Population of highly excited intermediate resonance states by electron transfer and excitation

    Energy Technology Data Exchange (ETDEWEB)

    Schuch, R. (Manne Siegbahn Institute of Physics, S-104 05 Stockholm, Sweden (SE)); Justiniano, E. (Department of Physics, East Carolina University, Greenville, North Carolina 27858-4353 (USA)); Schulz, M.; Datz, S.; Dittner, P.F.; Giese, J.P.; Krause, H.F.; Schoene, H.; Vane, R. (Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6377 (USA)); Shafroth, S. (Department of Physics, North Carolina University, Chapel Hill, North Carolina 27599-3255 (USA))

    1991-05-01

    Coincidences between two sulfur {ital K} x rays were detected from collisions of hydrogenlike S ions with H{sub 2} gas in the projectile energy range between 150 and 225 MeV. These {ital K} x rays are emitted in the decay of doubly excited states formed in the collisions via transfer and excitation. The excitation function for two coincident {ital K}{beta} transitions peaks at about 175 MeV, slightly above the expected {ital KMM} resonance energy for resonant transfer and excitation (RTE). This demonstrates the occurrence of {Delta}{ital N}{ge}2 transitions (i.e., {ital KMM} and higher resonances) in the RTE process. The cross sections for the population of the very highly excited states are higher than those predicted by theoretical calculations that use dielectronic recombination rates folded with the Compton profile for the bound electrons.

  6. Studies of ground-state dynamics in isolated species by ionization-detected stimulated Raman techniques

    Energy Technology Data Exchange (ETDEWEB)

    Felker, P.M. [Univ. of California, Los Angeles (United States)

    1993-12-01

    First, the author aims to develop methods of nonlinear Raman spectroscopy for application in studies of sparse samples. Second, the author wishes to apply such methods to structural and dynamical studies of species (molecules, complexes, and clusters) in supersonic molecular beams. In the past year, the author has made progress in several areas. The first pertains to the application of mass-selective ionization-detected stimulated Raman spectroscopies (IDSRS) to the size-specific vibrational spectroscopy of solute-solvent{sub n} clusters. The second involves the application of IDSRS methods to studies of jet-cooled benzene clusters. The third pertains to the use of IDSRS methods in the study of intermolecular vibrational transitions in van der Waals complexes.

  7. Comparison of the half-value layer: ionization chambers vs solid-state meters; Comparacao entre medidas de camada semirredutora: camara de ionizacao vs medidores de estado solido

    Energy Technology Data Exchange (ETDEWEB)

    Pereira, L.C.S.; Navarro, V.C.C.; Navarro, M.V.T.; Macedo, E.M., E-mail: larapereira@ifba.edu.br [Instituto Federal da Bahia (LABPROSAUD/IFBA), Salvador, BA (Brazil). Laboratorio de Produtos para a Saude

    2015-07-01

    Generally, the half value layer (HVL) is determined by using ionization chambers and aluminum filters. However, some solid-state dosimeters allow simultaneous measurements of X-ray's parameters, among which the HVL. The main objective of this study was to compare the HVL's values indicated by four different solid-state dosimeters, whose values were measured by ionization chambers. The maximum difference found between the two methods was 11.42%, one the solid-state dosimeters, showing that the use these instruments to determine CSR in industrial X-ray should be subject to a more thorough evaluation. (author)

  8. Magneto-optical study of the intermediate state in type-I superconductors: Effects of sample shape and applied current

    Energy Technology Data Exchange (ETDEWEB)

    Hoberg, Jacob Ray [Iowa State Univ., Ames, IA (United States)

    2008-01-01

    The magnetic flux structures in the intermediate state of bulk, pinning-free Type-I superconductors are studied using a high resolution magneto-optical imaging technique. Unlike most previous studies, this work focuses on the pattern formation of the coexisting normal and superconducting phases in the intermediate state. The influence of various parameters such as sample shape, structure defects (pinning) and applied current are discussed in relation to two distinct topologies: flux tubes (closed topology) and laminar (open topology). Imaging and magnetization measurements performed on samples of different shapes (cones, hemispheres and slabs), show that contrary to previous beliefs, the tubular structure is the equilibrium topology, but it is unstable toward defects and flux motion. Moreover, the application of current into a sample with the geometric barrier can replace an established laminar structure with flux tubes. At very high currents, however, there exists a laminar 'stripe pattern.' Quantitative analysis of the mean tube diameter is shown to be in good agreement with the prediction proposed by Goren and Tinkham. This is the first time that this model has been confirmed experimentally. Further research into the flux tube phase shows a direct correlation with the current loop model proposed in the 1990's by Goldstein, Jackson and Dorsey. There also appears a range of flux tube density that results in a suprafroth structure, a well-formed polygonal mesh, which behaves according to the physics of foams, following standard statistical laws such as von Neumann and Lewis. The reaction of flux structures to a fast-ramped magnetic field was also studied. This provided an alignment of the structure not normally observed at slow ramp rates.

  9. Computational analysis of the mechanism of chemical reactions in terms of reaction phases: hidden intermediates and hidden transition States.

    Science.gov (United States)

    Kraka, Elfi; Cremer, Dieter

    2010-05-18

    (A(n,s) reaction complex. URVA can show the mechanism of a reaction expressed in terms of reaction phases, revealing the sequence of chemical processes in the reaction complex and making it possible to determine those electronic factors that control the mechanism and energetics of the reaction. The magnitude of adiabatic curvature coupling coefficients is related to strength and polarizability of the bonds being broken. Transient points along the reaction path are associated with hidden intermediates and hidden transition states, which can be converted into real intermediates and transition states when the reaction conditions or the substitution pattern of the reaction complex are appropriately changed. Accordingly, URVA represents a theoretical tool with tremendous experimental potential, offering the chemist the ability to assert greater control over reactions.

  10. Simulating 3D Stellar Winds and Diffuse X-ray Emissions from Gases in Non-equilibrium Ionization State

    Science.gov (United States)

    Long, Min; Sun, Wei; Niu, Shu; Zhou, Xin; Ji, Li

    2017-08-01

    We investigate the physical properties of stellar winds launched in super stellar clusters (SSCs). Chandra observations have detected the presence of diffuse X-ray emission caused by hot gas from such winds in SSCs, and provide the best probe for understanding interactions between the stellar winds and the complex nursery regions. However, the details of the origin of cluster winds, the mass and energy ejection, the formation of diffuse X-ray emission, the fraction of winds contribution to the distribution of diffuse X-ray emission still remain unclear. We developed a multiphysics hydrodynamic model including self-gravity, head conduction and performed 3D simulations with an unprecedented grid resolution due to adaptive mesh refinement (AMR) capability in a case study of NGC 3603, as a supplement to the analysis of the archived 500 ks Chandra observations. The synthetic emission will be computed by assuming the gas in a non-equilibrium ionization (NEI) state indicated by Chandra observation, not coronal ionization equilibrium (CIE) that most works assumed, by using a customized NEI calculation module based on AtomDB. The results will be compared to the Chandra observations.

  11. Effect of initial-state target polarization on the single ionization of helium by 1-keV electron impact

    Institute of Scientific and Technical Information of China (English)

    Sun Shi-Yan; Ma Xiao-Yan; Li Xia; Miao Xiang-Yang; Jia Xiang-Fu

    2012-01-01

    We report new results of triple differential cross sections for the single ionization of helium by 1-KeV electron impact at the ejection energy of 10 eV.Investigations have been made for both the perpendicular plane and the plane perpendicular to the momentum transfer geometries.The present calculation is based on the three-Coulomb wave function.Here we have also incorporated the effect of target polarization in the initial state.A comparison is made between the present calculation with the results of other theoretical methods and a recent experiment [Diirr M,Dimopoulou C,Najjari B,Dorn A,Bartschat K,Bray I,Fursa D V,Chen Z,Madison D H and Ullrich J 2008 Phys.Rev.A 77 032717(]).At an impact energy of l KeV,the target polarization is found to induce a substantial change of the cross section for the ionization process.We observe that the effect of target polarization plays a dominant role in deciding the shape of triple differential cross sections.

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

    Science.gov (United States)

    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.

  13. Photo induced ionization dynamics of the nitrogen vacancy defect in diamond investigated by single shot charge state detection

    CERN Document Server

    Aslam, N; Neumann, P; Jelezko, F; Wrachtrup, J

    2012-01-01

    The nitrogen-vacancy centre (NV) has drawn much attention for over a decade, yet detailed knowledge of the photophysics needs to be established. Under typical conditions, the NV can have two stable charge states, negative (NV-) or neutral (NV0), with photo induced interconversion of these two states. Here, we present detailed studies of the ionization dynamics of single NV centres in bulk diamond at room temperature during illumination in dependence of the excitation wavelength and power. We apply a recent method which allows us to directly measure the charge state of a single NV centre, and observe its temporal evolution. Results of this work are the steady state NV- population, which was found to be always < 75% for 450 to 610 nm excitation wavelength, the relative absorption cross-section of NV- for 540 to 610 nm, and the energy of the NV- ground state of 2.6 eV below the conduction band. These results will help to further understand the photo-physics of the NV centre.

  14. Schistosomiasis mansoni in Bananal (State of São Paulo, Brazil: II. Intermediate hosts

    Directory of Open Access Journals (Sweden)

    Horacio Manuel Santana Teles

    2002-10-01

    Full Text Available We conducted monthly snail captures in Bananal, State of São Paulo, Brazil, between March 1998 and February 2001, to identify Schistosoma mansoni vectors, estimate seasonal population changes, and delimit foci. We also evaluated the impact of improvements in city water supply and basic sanitation facilities. We identified 28,651 vector specimens, 28,438 as Biomphalaria tenagophila, 49 of them (0.2% infected with S. mansoni, and 213 as B. straminea, none of the latter infected. Vectors predominated in water bodies having some vegetation along their banks. Neither population density nor local vegetation could be linked to vector infection. We found the first infected snails in 1998 (from March to May. Further captures of infected snails ocurred, without exception, from July to December, when rainfall was least. Irrespective of season, overall temperature ranged from 16.5ºC to 21ºC; pH values, from 6.0 to 6.8. Neither factor was associated with snail population density. Frequent contact of people with the river result from wading across it, extracting sand from its bottom, fishing, washing animals, etc. Despite a marked reduction in contamination, cercaria shedding persists. Whatever the location along its urban course, contact with river Bananal, particularly of the unprotected skin, entails risks of infection.

  15. Local chiral potentials with Δ-intermediate states and the structure of light nuclei

    Science.gov (United States)

    Piarulli, Maria

    2017-01-01

    We present a fully local nucleon-nucleon potential in chiral effective field theory (χEFT) retaining pions, nucleons and Δ-isobars as explicit degrees of freedom, and use it in hypersperical-harmonics and quantum Monte Carlo calculations of ground and excited states of 3H, 3He, 4He, 6He, and 6Li nuclei. The calculation of the potential is carried out by including one- and two-pion-exchange contributions up to next-to-next-to-leading order (N2LO) and contact interactions up to next-to-next-to-next-to-leading order (N3LO). The low-energy constants multiplying these contact interactions are fitted to the 2013 Granada database in two different ranges of laboratory energies, either 0-125 MeV or 0-200 MeV, and to the deuteron binding energy and nn singlet scattering length. Fits to these data are performed for three models characterized by long- and short-range cutoffs, RL and RS respectively, ranging from (RL ,RS) =(1 . 2 , 0 . 8) fm down to (0 . 8 , 0 . 6) fm. The long-range (short-range) cutoff regularizes the one- and two-pion exchange (contact) part of the potential.

  16. HIGHLY IONIZED Fe-K ABSORPTION LINE FROM CYGNUS X-1 IN THE HIGH/SOFT STATE OBSERVED WITH SUZAKU

    Energy Technology Data Exchange (ETDEWEB)

    Yamada, S.; Yoshikawa, A.; Makishima, K. [Cosmic Radiation Laboratory, Institute of Physical and Chemical Research (RIKEN), Wako, Saitama 351-0198 (Japan); Torii, S.; Noda, H. [Department of Physics, University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan); Mineshige, S. [Department of Astronomy, Kyoto University, Kitashirakawa-Oiwake-cho, Sakyo-ku, Kyoto 606-8502 (Japan); Ueda, Y. [Department of Physics, Kyoto University, Kitashirakawa-Oiwake-cho, Sakyo-ku, Kyoto 606-8502 (Japan); Kubota, A. [Department of Electronic Information Systems, Shibaura Institute of Technology, 307 Fukasaku, Minuma-ku, Saitama-shi, Saitama 337-8570 (Japan); Gandhi, P. [Institute of Space and Astronautical Science, JAXA, 3-1-1 Yoshinodai, Sagamiharas, 229-8510 Kanagawa (Japan); Done, C. [Department of Physics, Durham University, South Road, Durham DH1 3LE (United Kingdom)

    2013-04-20

    We present observations of a transient He-like Fe K{alpha} absorption line in Suzaku observations of the black hole binary Cygnus X-1 on 2011 October 5 near superior conjunction during the high/soft state, which enable us to map the full evolution from the start to the end of the episodic accretion phenomena or dips for the first time. We model the X-ray spectra during the event and trace their evolution. The absorption line is rather weak in the first half of the observation, but instantly deepens for {approx}10 ks, and weakens thereafter. The overall change in equivalent width is a factor of {approx}3, peaking at an orbital phase of {approx}0.08. This is evidence that the companion stellar wind feeding the black hole is clumpy. By analyzing the line with a Voigt profile, it is found to be consistent with a slightly redshifted Fe XXV transition, or possibly a mixture of several species less ionized than Fe XXV. The data may be explained by a clump located at a distance of {approx}10{sup 10-12} cm with a density of {approx}10{sup (-13)-(-11)} g cm{sup -3}, which accretes onto and/or transits the line of sight to the black hole, causing an instant decrease in the observed degree of ionization and/or an increase in density of the accreting matter. Continued monitoring for individual events with future X-ray calorimeter missions such as ASTRO-H and AXSIO will allow us to map out the accretion environment in detail and how it changes between the various accretion states.

  17. Resonantly-enhanced two-photon ionization and mass-analyzed threshold ionization (MATI) spectroscopy of 2-hydroxypyridine

    CERN Document Server

    Lee, D H; Choi, K W; Choi, Y S; Kim, S K

    2002-01-01

    Mass-analyzed threshold ionization (MATI) spectra of 2-hydroxypyridines existing as lactims (2-pyridionl) in a molecular beam are obtained via (1+1') two-photon process to give accurate ionization energies of 8.9344 +- 0.0005 and 8.9284 +- 0.0005 eV for 2-pyridinol (2Py-OH) and its deuterated analogue (2Py-OD), respectively. Resonantly-enhanced two-photon ionization spectra of these compounds are also presented to give vibrational structures of their S sub 1 states. Vibrational frequencies of 2Py-OH and 2Py-OD in ionic ground states are accurately determined from MATI spectra taken via various S sub 1 intermediate states, and associated vibrational modes are assigned with the aid of ab initio calculations.

  18. Nanoscale self-hosting of molecular spin-states in the intermediate phase of a spin-crossover material.

    Science.gov (United States)

    Bréfuel, Nicolas; Collet, Eric; Watanabe, Hiroshi; Kojima, Masaaki; Matsumoto, Naohide; Toupet, Loic; Tanaka, Koichiro; Tuchagues, Jean-Pierre

    2010-12-17

    A new spin-crossover (SC) complex [Fe(II)H(2)L(2-Me)][AsF(6)](2) has been synthesized, in which H(2)L(2-Me) denotes the chirogenic hexadentate N(6) Schiff-base ligand bis{[(2-methylimidazol-4-yl)methylidene]-3-aminopropyl}ethylenediamine. This complex has revealed a rich variety of phases during its two-step thermal crossover, as well as photoinduced spin-state switching. A high-symmetry high-spin (HS, S=2) phase, a low-symmetry low-spin (LS, S=0) phase, an intermediate phase characterized by an unprecedented lozenge pattern of 12 predominantly HS molecular crystallographic sites confining 18 predominantly LS molecular crystallographic sites, and a photoinduced low-symmetry HS phase have been accurately evidenced by temperature-dependent magnetic susceptibility, Mössbauer spectroscopy, and crystallographic studies. This variety of phases illustrates the multi-stability of this system, which results from coupling between the electronic states and structural instabilities.

  19. Assessing the extension service needs of credit officers of microfinance banks in Anambah state: Implications for rural finance intermediation

    Directory of Open Access Journals (Sweden)

    Onugu Charles Uchenna

    2015-02-01

    Full Text Available The credit officers of Microfinance Banks (MFBs are key players in rural finance intermediation for economic development. The paper assessed their extension service needs in Anambra State. Thirty-six (36 credit officers drawn from eleven (11 rural based MFBs in Anambra State were the respondents. Data was collected and analyzed using descriptive statistics of simple percentage, frequency table and mean. Three (3 hypotheses were tested with the use of Chi square (x2. The findings of the study revealed that the credit officers are sufficiently knowledgeable about credit extension service delivery. However, they were found not involved in designing, and implementation of effective credit policies for their clients. Also, they are not adequately motivated to carry out their duties. Based on the findings, it was recommended that the board of directors and management of the MFBs should provide capacity building program for credit officers to improve and sustain their knowledge and skills, also they should improve their welfare especially, attractive and encouraging salary, incentives and insurance cover which are paramount to performance.

  20. Fixation of three-dimensional states of deformation in polymers by ionizing radiation. Search for new polymeric materials

    Energy Technology Data Exchange (ETDEWEB)

    Schaudy, R.; Wendrinsky, J. [Austrian Research Centre, Seibersdorf (Austria). Dept. of Chemical Engineering; Beer, R.J.; Eberhardsteiner, J. [Technical University of Vienna (Austria). Laboratory of Experimental Strength of Materials

    1995-10-01

    The fixation of three-dimensional states of deformation in polymers allows the analysis of ``special states`` of elastic stresses even in the interior of complex constructional units and machine parts. This is the reason for the fact that in spite of the development of modern experimental methods of the analysis of deformation, which are in general restricted to the deformation of the surface of the bodies, the classical ``photoelasticity`` is still an adequate procedure for solving technical problems. However there are several restrictions on the applicability of the presently used procedures. A potential way to overcome these restrictions is the use of ionizing radiation, which in several polymeric materials causes a more or less perfect fixation of three-dimensional states of deformation. The search for suitable polymers includes the modification of well-known materials like epoxy resins as well as the application and development of materials not yet used in this field of engineering. Preliminary results of the search for such new materials are presented. In selected polymers the stress-optical constant f{sigma} (S) typically increases with dose, whereas the optical creep behaves ambiguous on irradiation. (Author).

  1. Ionization of Rydberg H atoms at band-gap metal surfaces via surface and image states

    CERN Document Server

    So, E; Softley, T P

    2015-01-01

    Wavepacket propagation calculations are reported for the interaction of a Rydberg hydrogen atom ($n=2-8)$ with Cu(111) and Cu(100) surfaces (represented by a Chulkov potential), in comparison with a Jellium surface. Both copper surfaces have a projected band gap at the surface in the energy range degenerate with some or all of the Rydberg energies. The charge transfer of the Rydberg electron to the surface is found to be enhanced for $n$ values at which there is a near-degeneracy between the Rydberg energy level and an image state or a surface state of the surface. The enhancement is facilitated by the strong overlap of the surface image-state orbital lying outside the surface and the orbital of the incoming Rydberg atom. These calculations point to the possibility of using Rydberg-surface collisions as a probe of surface electronic structure.

  2. Double ionization in R -matrix theory using a two-electron outer region

    Science.gov (United States)

    Wragg, Jack; Parker, J. S.; van der Hart, H. W.

    2015-08-01

    We have developed a two-electron outer region for use within R -matrix theory to describe double ionization processes. The capability of this method is demonstrated for single-photon double ionization of He in the photon energy region between 80 and 180 eV. The cross sections are in agreement with established data. The extended R -matrix with time dependence method also provides information on higher-order processes, as demonstrated by the identification of signatures for sequential double ionization processes involving an intermediate He+ state with n =2 .

  3. Non-Sequential Double Ionization by Counter Rotating Circularly Polarized Two-Color Laser Fields

    CERN Document Server

    Eckart, S; Kunitski, M; Hartung, A; Rist, J; Henrichs, K; Schlott, N; Kang, H; Bauer, T; Sann, H; Schmidt, L Ph H; Schöffler, M; Jahnke, T; Dörner, R

    2016-01-01

    We report on non-sequential double ionization of Ar by a laser pulse consisting of two counter rotating circularly polarized fields (390 nm and 780 nm). The double ionization probability depends strongly on the relative intensity of the two fields and shows a "knee"-like structure as function of intensity. We conclude that double ionization is driven by a beam of nearly monoenergetic recolliding electrons, which can be controlled in intensity and energy by the field parameters. The electron momentum distributions show the recolliding electron as well as a second electron which escapes from an intermediate excited state of Ar$^+$.

  4. Surface Ionization State and Nanoscale Chemical Composition of UV-Irradiated Poly(dimethylsiloxane) Probed by Chemical Force Microscopy, Force Titration, and Electrokinetic Measurements

    NARCIS (Netherlands)

    Song, Jing; Duval, Jerome F.L.; Cohen Stuart, Martien A.; Hillborg, Henrik; Gunst, Ullrich; Arlinghaus, Heinrich F.; Vancso, G. Julius

    2007-01-01

    The surface chemistry and ionization state of cross-linked poly(dimethylsiloxane) (PDMS) exposed to UV/ozone were studied as a function of treatment time. Various complementary and independent experimental techniques were utilized, which yielded information on the macroscopic as well as the nanometr

  5. Surface ionization state and nanoscale chemical composition of UV-irradiated poly(dimethylsiloxane) probed by chemical force microscopy, force titration, and electrokinetic measurements

    NARCIS (Netherlands)

    Song, J.; Duval, J.F.L.; Cohen Stuart, M.A.; Hillborg, H.; Gunst, U.; Arlinghaus, H.F.; Vancso, G.J.

    2007-01-01

    The surface chemistry and ionization state of cross-linked poly(dimethylsiloxane) (PDMS) exposed to UV/ozone were studied as a function of treatment time. Various complementary and independent experimental techniques were utilized, which yielded information on the macroscopic as well as the nanometr

  6. Intermediate magnetization state and competing orders in Dy2Ti2O7 and Ho2Ti2O7

    Science.gov (United States)

    Borzi, R. A.; Gómez Albarracín, F. A.; Rosales, H. D.; Rossini, G. L.; Steppke, A.; Prabhakaran, D.; MacKenzie, A. P.; Cabra, D. C.; Grigera, S. A.

    2016-08-01

    Among the frustrated magnetic materials, spin-ice stands out as a particularly interesting system. Residual entropy, freezing and glassiness, Kasteleyn transitions and fractionalization of excitations in three dimensions all stem from a simple classical Hamiltonian. But is the usual spin-ice Hamiltonian a correct description of the experimental systems? Here we address this issue by measuring magnetic susceptibility in the two most studied spin-ice compounds, Dy2Ti2O7 and Ho2Ti2O7, using a vector magnet. Using these results, and guided by a theoretical analysis of possible distortions to the pyrochlore lattice, we construct an effective Hamiltonian and explore it using Monte Carlo simulations. We show how this Hamiltonian reproduces the experimental results, including the formation of a phase of intermediate polarization, and gives important information about the possible ground state of real spin-ice systems. Our work suggests an unusual situation in which distortions might contribute to the preservation rather than relief of the effects of frustration.

  7. Molecular Switch for Sub-Diffraction Laser Lithography by Photoenol Intermediate-State Cis-Trans Isomerization.

    Science.gov (United States)

    Mueller, Patrick; Zieger, Markus M; Richter, Benjamin; Quick, Alexander S; Fischer, Joachim; Mueller, Jonathan B; Zhou, Lu; Nienhaus, Gerd Ulrich; Bastmeyer, Martin; Barner-Kowollik, Christopher; Wegener, Martin

    2017-06-27

    Recent developments in stimulated-emission depletion (STED) microscopy have led to a step change in the achievable resolution and allowed breaking the diffraction limit by large factors. The core principle is based on a reversible molecular switch, allowing for light-triggered activation and deactivation in combination with a laser focus that incorporates a point or line of zero intensity. In the past years, the concept has been transferred from microscopy to maskless laser lithography, namely direct laser writing (DLW), in order to overcome the diffraction limit for optical lithography. Herein, we propose and experimentally introduce a system that realizes such a molecular switch for lithography. Specifically, the population of intermediate-state photoenol isomers of α-methyl benzaldehydes generated by two-photon absorption at 700 nm fundamental wavelength can be reversibly depleted by simultaneous irradiation at 440 nm, suppressing the subsequent Diels-Alder cycloaddition reaction which constitutes the chemical core of the writing process. We demonstrate the potential of the proposed mechanism for STED-inspired DLW by covalently functionalizing the surface of glass substrates via the photoenol-driven STED-inspired process exploiting reversible photoenol activation with a polymerization initiator. Subsequently, macromolecules are grown from the functionalized areas and the spatially coded glass slides are characterized by atomic-force microscopy. Our approach allows lines with a full-width-at-half-maximum of down to 60 nm and line gratings with a lateral resolution of 100 nm to be written, both surpassing the diffraction limit.

  8. Observation of new satellites in Cs-Ar system using resonance ionization spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Nayfeh, M.H.; Hurst, G.S.; Payne, M.G.; Young, J.P.

    1978-07-31

    The absorption line shape of Cs-Ar system is recorded using two-photon ionization of the system with Cs(7P) as an intermediate state. New satellite structures in the wings of Cs(7P) are observed which were not resolved in previous absorption measurements. Also the absolute absorption cross section in the blue wing is measured.

  9. Electronic states of neutral and ionized tetrahydrofuran studied by VUV spectroscopy and ab initio calculations

    Energy Technology Data Exchange (ETDEWEB)

    Giuliani, A. [Synchrotron Soleil, DISCO beamline, L' Orme des Merisiers, 91 - Gif-sur-Yvette (France); Giuliani, A. [Cepia, Institut National de la Recherche Agronomique (INRA), 44 - Nantes (France); Limiao-Vieira, P. [Lisboa Univ. Nova, Lab. de Colisoes Atomicas e Moleculares, CEFITEC, Dept. de Fysica, Caparica (Portugal); Limao-Vieira, P.; Mason, N. [Open Univ., Centre of Molecular and Optical Sciences, Dept. of Physics and Astronomy, Milton Keynes, MK (United Kingdom); Duflot, D. [Lille Univ. des Sciences et Technologies, Lab. de Physique des Lasers, Atomes et Molecules (PhLAM), UMR CNRS 8523, Centre d' Etudes et de Recherches Lasers et Applications, CERLA, FR CNRS 2416, 59 - Villeneuve d' Ascq (France); Milosavljevic, A.R.; Marinkovic, B.P. [Laboratory for atomic collision processes, Institute of Physics, Belgrade, Serbia (Yugoslavia); Hoffmann, S.V. [Aarhus Univ., Institute for Storage Ring Facilities (Denmark); Delwiche, J.; Hubin-Franskin, M.J. [Liege Univ., Laboratoire de Spectroscopie d' Electrons Diffuses, Institut de Chimie (Belgium)

    2009-01-15

    The electronic spectroscopy of isolated tetrahydrofuran (THF) in the gas phase has been investigated using high-resolution photoabsorption spectroscopy in the 5.8 - 10.6 eV with absolute cross-section measurements derived. In addition, an electron energy loss spectrum was recorded at 100 eV and 10 degrees over the 5 - 11.4 eV range. The He(I) photoelectron spectrum was also collected to quantify ionisation energies in the 9 - 16.1 eV spectral region. These experiments are supported by the first high-level ab initio calculations performed on the excited states of the neutral molecule and on the ground state of the positive ion. The excellent agreement between the theoretical results and the measurements allows us to solve several discrepancies concerning the electronic state spectroscopy of THF. The present work reconsiders the question of the lowest energy conformers of the molecule and its population distribution at room temperature. (authors)

  10. Flash ionization signature in coherent cyclotron emission from brown dwarfs

    Science.gov (United States)

    Vorgul, I.; Helling, Ch.

    2016-05-01

    Brown dwarfs (BDs) form mineral clouds in their atmospheres, where charged particles can produce large-scale discharges in the form of lightning resulting in substantial sudden increase of local ionization. BDs are observed to emit cyclotron radio emission. We show that signatures of strong transient atmospheric ionization events (flash ionization) can be imprinted on a pre-existing radiation. Detection of such flash ionization events will open investigations into the ionization state and atmospheric dynamics. Such events can also result from explosion shock waves, material outbursts or (volcanic) eruptions. We present an analytical model that describes the modulation of a pre-existing electromagnetic radiation by a time-dependent (flash) conductivity that is characteristic for flash ionization events like lightning. Our conductivity model reproduces the conductivity function derived from observations of terrestrial gamma-ray flashes, and is applicable to astrophysical objects with strong temporal variations in the local ionization, as in planetary atmospheres and protoplanetary discs. We show that the field responds with a characteristic flash-shaped pulse to a conductivity flash of intermediate intensity. More powerful ionization events result in smaller variations of the initial radiation, or in its damping. We show that the characteristic damping of the response field for high-power initial radiation carries information about the ionization flash magnitude and duration. The duration of the pulse amplification or the damping is consistently shorter for larger conductivity variations and can be used to evaluate the intensity of the flash ionization. Our work suggests that cyclotron emission could be probe signals for electrification processes inside BD atmosphere.

  11. Ionization of helium targets by proton impact: a four-body distorted wave-eikonal initial state model and electron dynamic correlation

    Energy Technology Data Exchange (ETDEWEB)

    Monti, J M; Fojon, O A; Rivarola, R D [Instituto de Fisica Rosario (CONICET-UNR) and Facultad de Ciencias Exactas, IngenierIa y Agrimensura, Universidad Nacional de Rosario, Avenida Pellegrini 250, 2000 Rosario (Argentina); Hanssen, J, E-mail: monti@ifir-conicet.gov.a [Institut de Physique, Laboratoire de Physique Moleculaire et des Collisions, Universite Paul Verlaine - Metz, 1 Bv. Arago, 57078 Metz Cedex 3 (France)

    2009-10-14

    Single ionization of dielectronic atomic targets by the impact of protons is theoretically investigated. To describe this process, a four-body distorted wave model is proposed where both electrons are considered as active ones. In particular, the case corresponding to ionization of one of the electrons while the other one remains in a bound state of the residual target is analysed. The influence of the dynamic correlation between electrons, which is included in the model through the simultaneous time coupling of their evolutions during the collision, is analysed for the proton-helium system under different physical conditions.

  12. Characterization and evaluation of ionizing and non-ionizing imaging systems used in state of the art image-guided radiation therapy techniques

    Science.gov (United States)

    Stanley, Dennis Nichols

    With the growing incidence of cancer worldwide, the need for effective cancer treatment is paramount. Currently, radiation therapy exists as one of the few effective, non-invasive methods of reducing tumor size and has the capability for the elimination of localized tumors. Radiation therapy utilizes non-invasive external radiation to treat localized cancers but to be effective, physicians must be able to visualize and monitor the internal anatomy and target displacements. Image-Guided Radiation Therapy frequently utilizes planar and volumetric imaging during a course of radiation therapy to improve the precision and accuracy of the delivered treatment to the internal anatomy. Clinically, visualization of the internal anatomy allows physicians to refine the treatment to include as little healthy tissue as possible. This not only increases the effectiveness of treatment by damaging only the tumor but also increases the quality of life for the patient by decreasing the amount of healthy tissue damaged. Image-Guided Radiation Therapy is commonly used to treat tumors in areas of the body that are prone to movement, such as the lungs, liver, and prostate, as well as tumors located close to critical organs and tissues such as the tumors in the brain and spinal cord. Image-Guided Radiation Therapy can utilize both ionizing modalities, like x-ray based planar radiography and cone-beam CT, and nonionizing modalities like MRI, ultrasound and video-based optical scanning systems. Currently ionizing modalities are most commonly utilized for their ability to visualize and monitor internal anatomy but cause an increase to the total dose to the patient. Nonionizing imaging modalities allow frequent/continuous imaging without the increase in dose; however, they are just beginning to be clinically implemented in radiation oncology. With the growing prevalence and variety of Image-Guided Radiation Therapy imaging modalities the ability to evaluate the overall image quality, monitor

  13. Annual effective dose of ionizing radiation from natural sources received by airline aircrew members compared with that received by non-flying residents of the United States

    Science.gov (United States)

    Friedberg, W.; Copeland, K.; O'Brien, K., III

    In evaluating health aspects of the ionizing radiation exposure of aircrews, risk estimates are normally based on the amount of cosmic radiation received in flight. Not considered is that aircrews spend most of their time on the ground. In this report, annual total effective doses of ionizing radiation from natural sources received by aircrews on and off the job, flying between Los Angeles and Tokyo or Chicago and London, are compared with doses to non-flying residents of the United States and non-flying residents of Environmental Protection Agency Region 8 (Montana, North Dakota, South Dakota, Wyoming, Utah, Colorado --- the region in the United States with the highest dose rates of natural ionizing radiation at ground level). Occupational exposure of aircrews to ionizing radiation is thought to increase their risk of fatal cancer. It may not be a significant concern if one considers: (a) the annual dose of ionizing radiation to the crewmembers in our study is only 7-41% higher than that received by non-flying residents of Region 8 (terrestrial gamma and cosmic radiation in the Denver, Colorado, area of Region 8); (b) the dose to non-flying residents of Region 8 is 87% higher than the average dose to non-flying residents of the United States; and (c) the estimated death rate from cancer in the six states in Region 8 is 3-26% lower than the average for the United States. When considering health concerns of aircrew members, one should recognize that the standard risk coefficient for radiation-induced fatal cancer is derived primarily from studies on individuals exposed to radiation at higher doses and dose rates and of generally lower energy, than the galactic cosmic radiation to which aircrews are exposed. These differences are a major reason that epidemiology studies are important in evaluating health aspects of the occupational radiation exposure of aircrews.

  14. Photoinduced Reductive Elimination of H 2 from the Nitrogenase Dihydride (Janus) State Involves a FeMo-cofactor-H 2 Intermediate

    Energy Technology Data Exchange (ETDEWEB)

    Lukoyanov, Dmitriy; Khadka, Nimesh; Dean, Dennis R.; Raugei, Simone; Seefeldt, Lance C.; Hoffman, Brian M.

    2017-02-08

    N2 reduction by nitrogenase involves the accumulation of four reducing equivalents at the active site FeMo-cofactor to form a state with two [Fe-H-Fe] bridging hydrides (denoted E4(4H), the Janus intermediate), and we recently demonstrated that the enzyme is activated to cleave the N≡N triple bond by the reductive elimination (re) of H2 from this state. We are exploring a photochemical approach to obtaining atomic-level details of the re activation process. We have shown that when E4(4H) at cryogenic temperatures is subjected to 450 nm irradiation in an EPR cavity, it cleanly undergoes photoinduced re of H2 to give a reactive doubly-reduced intermediate, denoted E4(2H)*, which corresponds to the intermediate that would form if thermal dissociative re loss of H2 preceded N2 binding. Experiments reported here establish that photoinduced re occurs in two steps. Photolysis of E4(4H) generates an intermediate state that undergoes subsequent photoinduced conversion to [E4(2H)* + H2]. The experiments, supported by DFT calculation, indicate that the trapped intermediate is an H2 complex on the ground adiabatic potential energy suface that connects E4(4H) with [E4(2H)* + H2]. We suggest this complex, denoted E4(H2; 2H), is a thermally populated intermediate in the catalytically central re of H2 by E4(4H), and that N2 reacts with this complex to complete the activated conversion of [E4(4H) + N2] into [E4(2N2H) + H2].

  15. New artificial neural networks for true triaxial stress state analysis and demonstration of intermediate principal stress effects on intact rock strength

    Institute of Scientific and Technical Information of China (English)

    Rennie Kaunda

    2014-01-01

    Simulations are conducted using five new artificial neural networks developed herein to demonstrate and investigate the behavior of rock material under polyaxial loading. The effects of the intermediate principal stress on the intact rock strength are investigated and compared with laboratory results from the literature. To normalize differences in laboratory testing conditions, the stress state is used as the objective parameter in the artificial neural network model predictions. The variations of major principal stress of rock material with intermediate principal stress, minor principal stress and stress state are investigated. The artificial neural network simulations show that for the rock types examined, none were independent of intermediate principal stress effects. In addition, the results of the artificial neural network models, in general agreement with observations made by others, show (a) a general trend of strength increasing and reaching a peak at some intermediate stress state factor, followed by a decline in strength for most rock types;(b) a post-peak strength behavior dependent on the minor principal stress, with respect to rock type;(c) sensitivity to the stress state, and to the interaction between the stress state and uniaxial compressive strength of the test data by the artificial neural networks models (two-way analysis of variance; 95% confidence interval). Artificial neural network modeling, a self-learning approach to polyaxial stress simulation, can thus complement the commonly observed difficult task of conducting true triaxial laboratory tests, and/or other methods that attempt to improve two-dimensional (2D) failure criteria by incorporating intermediate principal stress effects.

  16. Driving Calmodulin Protein towards Conformational Shift by Changing Ionization States of Select Residues

    Science.gov (United States)

    Negi, Sunita; Rana Atilgan, Ali; Atilgan, Canan

    2012-12-01

    Proteins are complex systems made up of many conformational sub-states which are mainly determined by the folded structure. External factors such as solvent type, temperature, pH and ionic strength play a very important role in the conformations sampled by proteins. Here we study the conformational multiplicity of calmodulin (CaM) which is a protein that plays an important role in calcium signaling pathways in the eukaryotic cells. CaM can bind to a variety of other proteins or small organic compounds, and mediates different physiological processes by activating various enzymes. Binding of calcium ions and proteins or small organic molecules to CaM induces large conformational changes that are distinct to each interacting partner. In particular, we discuss the effect of pH variation on the conformations of CaM. By using the pKa values of the charged residues as a basis to assign protonation states, the conformational changes induced in CaM by reducing the pH are studied by molecular dynamics simulations. Our current view suggests that at high pH, barrier crossing to the compact form is prevented by repulsive electrostatic interactions between the two lobes. At reduced pH, not only is barrier crossing facilitated by protonation of residues, but also conformations which are on average more compact are attained. The latter are in accordance with the fluorescence resonance energy transfer experiment results of other workers. The key events leading to the conformational change from the open to the compact conformation are (i) formation of a salt bridge between the N-lobe and the linker, stabilizing their relative motions, (ii) bending of the C-lobe towards the N-lobe, leading to a lowering of the interaction energy between the two-lobes, (iii) formation of a hydrophobic patch between the two lobes, further stabilizing the bent conformation by reducing the entropic cost of the compact form, (iv) sharing of a Ca+2 ion between the two lobes.

  17. Improvements in the equation of state for the partially ionized plasmas of the solar interior

    Science.gov (United States)

    Liang, Aihua

    2005-11-01

    The three major material properties relevant for solar and stellar modeling are the equation of state (EOS), opacity and the nuclear reaction rate. Due to the nature of the equations of stellar structure and evolution, in most parts of a stars interior, the three material properties are entangled, and it is difficult to use astrophysics to constrain a single one. Luckily, thanks to the adiabatic stratification of the convection zone, there the structure only depends on the EOS, which is therefore largely disentangled from the other quantities. Our research, which aims at constraining the EOS using information from the Sun, is therefore most successful when data from the convection zone are used. Among the many solar equations of state that are being currently used there are two popular ones: Mihalas-Däppen-Hummer (MHD) EOS and OPAL EOS. Helioseismic inversion procedures, which have become standard to evaluate the accuracy of different solar models with respect to the real Sun, have revealed that except for the top 2%, the OPAL EOS matches the solar observations better than the MHD EOS. For this reason we have set our research goal to find a modification of the MHD EOS that can, in a first step, simulate the OPAL EOS, and ultimately, the real Sun. This goal has been attained. By construction, the OPAL EOS contains higher order correlation terms which are missing in the MHD EOS. Through an inversion procedure from the activity series expansion (ACTEX), upon which the OPAL EOS is based to the free energy expression of the MHD EOS, we have found out that the free particle assumption, used in the original version of the MHD EOS has indeed to be abandoned. We show that the two-body scattering terms of the Coulomb interaction, as well as electron degeneracy play a significant role in the difference between the original version of the MHD and OPAL EOS. During our interdisciplinary investigation, aiming at seeking an improved MHD EOS under the guidance of the OPAL EOS, we

  18. Influence of laser intensity on the double-resonance multiphoton ionization process of NO molecule

    Institute of Scientific and Technical Information of China (English)

    Guiyin Zhang; Yidong Jin

    2008-01-01

    The analytic forrnula of the ionization efficiency in the process of double resonance enhanced multi-photon ionization (DREMPI) is derived from the dynamic rate equation about the interaction of photon and material. Based on rids formula, the ionization efficiency arid the laser power index versus laser intensity in the DREMPI process of NO molecule, via A2∑ and S2∑ intermediate resonant states, is numerically sinnllated. It is shown that the ionization efficiency of NO molecule increases with the laser intensity until getting saturation, while the laser power index decreases with the enhancement of the laser intensity arid changes to zero at last. The variation of the laser power index with the laser intensity indicates that the ionization efficiency reaches saturation in the one, two, and three excitation steps respectively. It is also found that the narrower the laser pulse duration is, the higher becomes the laser intensity for saturation.

  19. Highly Ionized Fe-K Absorption Line from Cygnus X-1 in the High/Soft State Observed with Suzaku

    CERN Document Server

    Yamada, S; Mineshige, S; Ueda, Y; Kubota, A; Gandhi, P; Done, C; Noda, H; Yoshikawa, A; Makishima, K

    2013-01-01

    We present observations of a transient He-like Fe K alpha absorption line in Suzaku observations of the black hole binary Cygnus X-1 on 2011 October 5 near superior conjunction during the high/soft state, which enable us to map the full evolution from the start and the end of the episodic accretion phenomena or dips for the first time. We model the X-ray spectra during the event and trace their evolution. The absorption line is rather weak in the first half of the observation, but instantly deepens for ~10 ks, and weakens thereafter. The overall change in equivalent width is a factor of ~3, peaking at an orbital phase of ~0.08. This is evidence that the companion stellar wind feeding the black hole is clumpy. By analyzing the line with a Voigt profile, it is found to be consistent with a slightly redshifted Fe XXV transition, or possibly a mixture of several species less ionized than Fe XXV. The data may be explained by a clump located at a distance of ~10^(10-12) cm with a density of ~10^((-13)-(-11)) g cm^-...

  20. All-solid-state continuous-wave laser systems for ionization, cooling and quantum state manipulation of beryllium ions

    CERN Document Server

    Lo, H -Y; Kienzler, D; Keitch, B C; de Clercq, L E; Negnevitsky, V; Home, J P

    2013-01-01

    We describe laser systems for photoionization, Doppler cooling and quantum state manipulation of beryllium ions. For photoionization of neutral beryllium, we have developed a continuous-wave 235 nm source obtained by two stages of frequency doubling from a diode laser at 940 nm. The system delivers up to 400 mW at 470 nm and 28 mW at 235 nm. For control of the beryllium ion, three laser wavelengths at 313 nm are produced by sum-frequency generation and second-harmonic generation from four infrared fiber lasers. Up to 7.2 W at 626 nm and 1.9 W at 313 nm are obtained using two pump beams at 1051 and 1551 nm. Intensity fluctuations below 0.5 % per hour (during 8 hours of operation) have been measured at a 313 nm power of 1 W. These systems are used to load beryllium ions into a segmented ion trap.

  1. Group additivity calculation of the standard molal thermodynamic properties of aqueous amino acids, polypeptides and unfolded proteins as a function of temperature, pressure and ionization state

    Directory of Open Access Journals (Sweden)

    J. M. Dick

    2005-10-01

    Full Text Available Thermodynamic calculation of the chemical speciation of proteins and the limits of protein metastability affords a quantitative understanding of the biogeochemical constraints on the distribution of proteins within and among different organisms and chemical environments. These calculations depend on accurate determination of the ionization states and standard molal Gibbs free energies of proteins as a function of temperature and pressure, which are not generally available. Hence, to aid predictions of the standard molal thermodynamic properties of ionized proteins as a function of temperature and pressure, calculated values are given below of the standard molal thermodynamic properties at 25°C and 1 bar and the revised Helgeson-Kirkham-Flowers equations of state parameters of the structural groups comprising amino acids, polypeptides and unfolded proteins. Group additivity and correlation algorithms were used to calculate contributions by ionized and neutral sidechain and backbone groups to the standard molal Gibbs free energy (Δ G°, enthalpy (Δ H°, entropy (S°, isobaric heat capacity (C°P, volume (V° and isothermal compressibility (κ°T of multiple reference model compounds. Experimental values of C°P, V° and κ°T at high temperature were taken from the recent literature, which ensures an internally consistent revision of the thermodynamic properties and equations of state parameters of the sidechain and backbone groups of proteins, as well as organic groups. As a result, Δ G°, Δ H°, S° C°P, V° and κ°T of unfolded proteins in any ionization state can be calculated up to T~-300°C and P~-5000 bars. In addition, the ionization states of unfolded proteins as a function of not only pH, but also temperature and pressure can be calculated by taking account of the degree of ionization of the sidechain and backbone groups present in the sequence. Calculations of this

  2. Group additivity calculation of the standard molal thermodynamic properties of aqueous amino acids, polypeptides and unfolded proteins as a function of temperature, pressure and ionization state

    Science.gov (United States)

    Dick, J. M.; Larowe, D. E.; Helgeson, H. C.

    2005-10-01

    Thermodynamic calculation of the chemical speciation of proteins and the limits of protein metastability affords a quantitative understanding of the biogeochemical constraints on the distribution of proteins within and among different organisms and chemical environments. These calculations depend on accurate determination of the ionization states and standard molal Gibbs free energies of proteins as a function of temperature and pressure, which are not generally available. Hence, to aid predictions of the standard molal thermodynamic properties of ionized proteins as a function of temperature and pressure, calculated values are given below of the standard molal thermodynamic properties at 25°C and 1 bar and the revised Helgeson-Kirkham-Flowers equations of state parameters of the structural groups comprising amino acids, polypeptides and unfolded proteins. Group additivity and correlation algorithms were used to calculate contributions by ionized and neutral sidechain and backbone groups to the standard molal Gibbs free energy (Δ G°), enthalpy (Δ H°), entropy (S°), isobaric heat capacity (C°P), volume (V°) and isothermal compressibility (κ°T) of multiple reference model compounds. Experimental values of C°P, V° and κ°T at high temperature were taken from the recent literature, which ensures an internally consistent revision of the thermodynamic properties and equations of state parameters of the sidechain and backbone groups of proteins, as well as organic groups. As a result, Δ G°, Δ H°, S° C°P, V° and κ°T of unfolded proteins in any ionization state can be calculated up to T~-300°C and P~-5000 bars. In addition, the ionization states of unfolded proteins as a function of not only pH, but also temperature and pressure can be calculated by taking account of the degree of ionization of the sidechain and backbone groups present in the sequence. Calculations of this kind represent a first step in the prediction of chemical affinities of many

  3. Wavelength Dependence of Nanosecond IR Laser-Induced Breakdown in Water: Evidence for Multiphoton Initiation via an Intermediate State

    Science.gov (United States)

    2015-04-29

    breakdown threshold in water for nanosecond (ns) IR laser pulses . Avalanche ionization (AI) is the most powerful mechanism driving IR ns laser-induced...acknowledged that femtosecond (fs) and picosecond (ps) IR breakdown is initiated by photoionization because ultrashort pulses are sufficiently...formation depends critically on the density of pre-existing traps, χtrap. An estimate of χtrap can be obtained by relating the initial quantum efficiency

  4. Elemental Abundances and Ionization States within the Local Interstellar Cloud Derived from HST and FUSE Observations of the Capella Line of Sight

    CERN Document Server

    Wood, B E; Linsky, J L; Sahu, M S; Wood, Brian E.; Redfield, Seth; Linsky, Jeffrey L.

    2002-01-01

    We use ultraviolet spectra of Capella from the Hubble Space Telescope (HST) and Far Ultraviolet Spectroscopic Explorer (FUSE) satellites to study interstellar absorption lines from the Local Interstellar Cloud (LIC). Measurements of these lines are used to empirically determine the ionization states of carbon, nitrogen, and silicon in the LIC, for comparison with the predictions of theoretical photoionization models. We find that the observed ionization states are consistent with previously published photoionization predictions. Total abundances are determined for the elements mentioned above, and others, for comparison with solar abundances. Magnesium, aluminum, silicon, and iron are all depleted by at least a factor of 10 toward Capella. The abundances of carbon, nitrogen, and oxygen are essentially solar, although the error bars are large enough to also allow depletions of about a factor of 2 for these elements.

  5. Geodynamics and intermediate-depth seismicity in Vrancea (the south-eastern Carpathians): Current state-of-the art

    NARCIS (Netherlands)

    Ismael-Zadeh, A.; Matenco, L.C.; Radulian, M.; Cloetingh, S.A.P.L.; Panza, G.

    2012-01-01

    The Vrancea region of the south-eastern Carpathians is a remarkable site of intra-continental intermediate-depth seismicity. A large set of geological, geophysical, and geodetic observations has been accumulated for the last few decades and utilised to improve our knowledge of the shallow and deep s

  6. Thermodynamics of atomic and ionized hydrogen: analytical results versus equation-of-state tables and Monte Carlo data.

    Science.gov (United States)

    Alastuey, A; Ballenegger, V

    2012-12-01

    We compute thermodynamical properties of a low-density hydrogen gas within the physical picture, in which the system is described as a quantum electron-proton plasma interacting via the Coulomb potential. Our calculations are done using the exact scaled low-temperature (SLT) expansion, which provides a rigorous extension of the well-known virial expansion-valid in the fully ionized phase-into the Saha regime where the system is partially or fully recombined into hydrogen atoms. After recalling the SLT expansion of the pressure [A. Alastuey et al., J. Stat. Phys. 130, 1119 (2008)], we obtain the SLT expansions of the chemical potential and of the internal energy, up to order exp(-|E_{H}|/kT) included (E_{H}≃-13.6 eV). Those truncated expansions describe the first five nonideal corrections to the ideal Saha law. They account exactly, up to the considered order, for all effects of interactions and thermal excitations, including the formation of bound states (atom H, ions H^{-} and H_{2}^{+}, molecule H_{2},⋯) and atom-charge and atom-atom interactions. Among the five leading corrections, three are easy to evaluate, while the remaining ones involve well-defined internal partition functions for the molecule H_{2} and ions H^{-} and H_{2}^{+}, for which no closed-form analytical formula exist currently. We provide accurate low-temperature approximations for those partition functions by using known values of rotational and vibrational energies. We compare then the predictions of the SLT expansion, for the pressure and the internal energy, with, on the one hand, the equation-of-state tables obtained within the opacity program at Livermore (OPAL) and, on the other hand, data of path integral quantum Monte Carlo (PIMC) simulations. In general, a good agreement is found. At low densities, the simple analytical SLT formulas reproduce the values of the OPAL tables up to the last digit in a large range of temperatures, while at higher densities (ρ∼10^{-2} g/cm^{3}), some

  7. Intermediate-spin state of a 3d ion in the octahedral environment and generalization of the Tanabe-Sugano diagrams.

    Science.gov (United States)

    Lamonova, Karina V; Zhitlukhina, Elena S; Babkin, Roman Yu; Orel, Sergei M; Ovchinnikov, Sergei G; Pashkevich, Yurii G

    2011-11-24

    Electronic spectra of 3d(n) transition ions in an octahedral ligand surrounding have been studied using the modified crystal field approach (MCFA), which includes a relativistic spin-orbital interaction. A new variable parameter, the effective nuclear charge Z(eff) of a metal ion that allows accounting implicitly the covalence degree of a metal-ligand bond, has been introduced. Energy diagrams similar to the Tanabe-Sugano ones have been calculated. To study the spin state evolution of the metal ion in an arbitrary distorted octahedral complex, a spin state diagram approach has been proposed. The intermediate-spin (IS) state problem for 3d(4), 3d(5), and 3d(6) metal ions has been considered and conditions for the IS state realization have been formulated. The regions of the mixed high-, intermediate-, and low-spin states have been found. The possibility of coexistence of the different spin states of 3d ions in the octahedral complexes has been considered using crystallography data for the YBaCo(2)O(5.5) layered cobaltite.

  8. Solid state silicon based condenser microphone for hearing aid, has transducer chip and IC chip between intermediate chip and openings on both sides of intermediate chip, to allow sound towards diaphragm

    DEFF Research Database (Denmark)

    2000-01-01

    NOVELTY - A silicon transducer chip (1) has parallel backplate and movable diaphragm (12) and forms an electrical capacitor. The chip and electronic circuit chip (3) are provided on either sides of intermediate chip (2). The chip (2) has openings (4,10) between two sides of the chip, to allow sou...... inlet of microphone. External electrical connection can be made economically reliable and the thermal stress is avoided with the small size solid state silicon based condenser microphone....... towards diaphragm. Surface of the chip (2) has electrical conductors (14) to connect chip with IC chip (3). USE - For use in miniature electroacoustic devices such as hearing aid. ADVANTAGE - Since sound inlet is covered by filter, dust, moisture and other impurities do not obstruct interior and sound...

  9. Resonance ionization scheme development for europium

    CERN Document Server

    Chrysalidis, K; Fedosseev, V N; Marsh, B A; Naubereit, P; Rothe, S; Seiffert, C; Kron, T; Wendt, K

    2017-01-01

    Odd-parity autoionizing states of europium have been investigated by resonance ionization spectroscopy via two-step, two-resonance excitations. The aim of this work was to establish ionization schemes specifically suited for europium ion beam production using the ISOLDE Resonance Ionization Laser Ion Source (RILIS). 13 new RILIS-compatible ionization schemes are proposed. The scheme development was the first application of the Photo Ionization Spectroscopy Apparatus (PISA) which has recently been integrated into the RILIS setup.

  10. Resonance ionization scheme development for europium

    Energy Technology Data Exchange (ETDEWEB)

    Chrysalidis, K., E-mail: katerina.chrysalidis@cern.ch; Goodacre, T. Day; Fedosseev, V. N.; Marsh, B. A. [CERN (Switzerland); Naubereit, P. [Johannes Gutenberg-Universität, Institiut für Physik (Germany); Rothe, S.; Seiffert, C. [CERN (Switzerland); Kron, T.; Wendt, K. [Johannes Gutenberg-Universität, Institiut für Physik (Germany)

    2017-11-15

    Odd-parity autoionizing states of europium have been investigated by resonance ionization spectroscopy via two-step, two-resonance excitations. The aim of this work was to establish ionization schemes specifically suited for europium ion beam production using the ISOLDE Resonance Ionization Laser Ion Source (RILIS). 13 new RILIS-compatible ionization schemes are proposed. The scheme development was the first application of the Photo Ionization Spectroscopy Apparatus (PISA) which has recently been integrated into the RILIS setup.

  11. Unfolding Simulations of Holomyoglobin from Four Mammals: Identification of Intermediates and β-Sheet Formation from Partially Unfolded States

    DEFF Research Database (Denmark)

    Dasmeh, Pouria; Kepp, Kasper Planeta

    2013-01-01

    simulations of holoMb and the first comparative study of unfolding of protein orthologs from different species (sperm whale, pig, horse, and harbor seal). We also provide new interpretations of experimental mean molecular ellipticities of myoglobin intermediates, notably correcting for random coil and number......Myoglobin (Mb) is a centrally important, widely studied mammalian protein. While much work has investigated multi-step unfolding of apoMb using acid or denaturant, holomyoglobin unfolding is poorly understood despite its biological relevance. We present here the first systematic unfolding...... of helices in intermediates. The simulated holoproteins at 310 K displayed structures and dynamics in agreement with crystal structures (Rg ,1.48–1.51 nm, helicity ,75%). At 400 K, heme was not lost, but some helix loss was observed in pig and horse, suggesting that these helices are less stable...

  12. Differences in intermediate structures and electronic states associated with oxygen adsorption onto Pt, Cu, and Au clusters as oxygen reduction catalysts

    Science.gov (United States)

    Morishita, Tetsunori; Ueno, Tomonaga; Panomsuwan, Gasidit; Hieda, Junko; Bratescu, Maria Antoaneta; Saito, Nagahiro

    2016-10-01

    We used ab initio molecular orbital (MO) calculations to study the differences in the intermediate structures and the electronic states involved in the adsorption of O2 onto 13-atom metal clusters of Pt, Cu, and Au. Additionally, the conditions required for the electrocatalytic oxygen reduction reaction (ORR) on the Pt, Cu, and Au clusters were investigated and discussed. The intermediates involved in O2 adsorption onto Pt, Cu, and Au were found to be (Pt-O)-(Pt-O), Cu-O, and Au-O2, respectively. The differences in the O2 adsorption intermediates is explained on the basis of our analysis of the projected density of state (PDOS) area of the new MOs produced from a mixture of the 2pπ * orbitals of O2 and the d orbitals of the metal clusters. The formation of the (Pt-O)-(Pt-O) intermediate after the adsorption of O2 onto the Pt cluster is attributed to the emergence of an antibonding orbital above the Fermi level. Thus, this electronic state can lead to the decomposition and desorption of O2 molecules, thereby promoting the high-activity level of ORR. For the Cu cluster, a new antibonding orbital was observed below the Fermi level. Moreover, the Cu cluster surface can only promote O2 decomposition and not O2 desorption due to the formation of copper oxides. For the Au cluster, no new MOs related to 2pπ * orbitals of O2 appeared because O2 was molecularly adsorbed, implying that the Au cluster is an inefficient ORR catalyst.

  13. A catalytic intermediate and several flavin redox states stabilized by folate-dependent tRNA methyltransferase from Bacillus subtilis.

    Science.gov (United States)

    Hamdane, Djemel; Guerineau, Vincent; Un, Sun; Golinelli-Pimpaneau, Beatrice

    2011-06-14

    The flavoprotein TrmFO catalyzes the C5 methylation of uridine 54 in the TΨC loop of tRNAs using 5,10-methylenetetrahydrofolate (CH(2)THF) as a methylene donor and FAD as a reducing agent. Here, we report biochemical and spectroscopic studies that unravel the remarkable capability of Bacillus subtilis TrmFO to stabilize, in the presence of oxygen, several flavin-reduced forms, including an FADH(•) radical, and a catalytic intermediate endowed with methylating activity. The FADH(•) radical was characterized by high-field electron paramagnetic resonance and electron nuclear double-resonance spectroscopies. Interestingly, the enzyme exhibited tRNA methylation activity in the absence of both an added carbon donor and an external reducing agent, indicating that a reaction intermediate, containing presumably CH(2)THF and FAD hydroquinone, is present in the freshly purified enzyme. Isolation by acid treatment, under anaerobic conditions, of noncovalently bound molecules, followed by mass spectrometry analysis, confirmed the presence in TrmFO of nonmodified FAD. Addition of formaldehyde to the purified enzyme protects the reduced flavins from decay by probably preventing degradation of CH(2)THF. The absence of air-stable reduced FAD species during anaerobic titration of oxidized TrmFO, performed in the absence or presence of added CH(2)THF, argues against their thermodynamic stabilization but rather implicates their kinetic trapping by the enzyme. Altogether, the unexpected isolation of a stable catalytic intermediate suggests that the flavin-binding pocket of TrmFO is a highly insulated environment, diverting the reduced FAD present in this intermediate from uncoupled reactions.

  14. Real-time observation of ultrafast dynamics of individual rotational states in a molecular wavepacket with strong-field-ionization-induced nitrogen lasing

    CERN Document Server

    Zeng, Bin; Li, Guihua; Yao, Jinping; Zhang, Haisu; Ni, Jielei; Jing, Chenrui; Xie, Hongqiang; Cheng, Ya

    2014-01-01

    Molecular rotational spectroscopy based on strong-field-ionization-induced nitrogen laser is employed to investigate the time evolution of the rotational wave packet composed by a coherent superposition of quantum rotational states created in a field-free molecular alignment. We show that this technique uniquely allows real-time observation of the ultrafast dynamics of the individual rotational states in the rotational wavepacket. Our analysis also shows that there exist two channels of generation of the nitrogen laser, shedding new light on the population inversion mechanism behind the air laser generated by intense femtosecond laser pulses.

  15. The double ionization of H{sub 2} by fast electron impact: Influence of the final state electron-electron correlation

    Energy Technology Data Exchange (ETDEWEB)

    Chuluunbaatar, O., E-mail: chuka@jinr.ru; Gusev, A. A., E-mail: gooseff@jinr.ru [Joint Institute for Nuclear Research (Russian Federation); Joulakian, B. B., E-mail: boghos.joulakian@univ-lorraine.fr [Universite Paul Verlaine-Metz, Laboratoire de Physique Moleculaire et des Collisions, Institut Jean Barriol (France)

    2013-02-15

    We have determined fully differential cross sections of the (e, 3e) double ionization of H{sub 2} by employing correlated initial- and final-state wave functions. We have constructed for the description of the two slow ejected electrons a symmetrized product of a correlation function and two-center continuum wave functions, which fulfill the correct boundary conditions asymptotically up to the order O((kr){sup -2}). We have shown that the introduction of the correlated part of the final-state wave function improves the results on the (e, 3-1e) of H{sub 2}.

  16. Triple differential cross-sections for the ionization of metastable 2P-state hydrogen atoms by electrons with exchange effects

    Indian Academy of Sciences (India)

    SUNIL DHAR; NURUN NAHAR

    2016-11-01

    In this paper, triple differential cross-sections for the ionization of metastable 2P-state hydrogen atoms by 250 eV electron energy with exchange effects for various kinematic conditions are calculated. Multiple scattering theory proposed by Das and Seal in {\\it Phys. Rev.} A 47, 2978 (1993) is utilized here. The computational results provide significant peak features that show good qualitative agreement with the hydrogenic ground-state experimental data and theoretical results and the present first Born results. In addition, physical origin of the peaks of the cross-section curves is investigated.

  17. Characterization of the spherical intermediates and fibril formation of hCT in HEPES solution using solid-state 13C-NMR and transmission electron microscopy.

    Science.gov (United States)

    Itoh-Watanabe, Hikari; Kamihira-Ishijima, Miya; Kawamura, Izuru; Kondoh, Masashi; Nakakoshi, Masamichi; Sato, Michio; Naito, Akira

    2013-10-21

    Human calcitonin (hCT) is a 32-amino acid peptide hormone that contains an intrachain disulfide bridge between Cys1 and Cys7 and a proline amide at the C-terminus. hCT tends to associate to form a fibril precipitate of the same type as amyloid fibrils, and hence has been studied as a model of amyloid fibril formation. The fibrillation process in N-(2-hydroxyethyl)piperazine-N'-2-ethanesulfonic acid (HEPES) solution was examined using transmission electron microscopy. The rate of hCT fibrillation in HEPES solution was much lower than in phosphate buffer and acetic acid solution. Spherical intermediate aggregates (nuclei) were observed during the early stage of fibril formation. Short proto-fibrils appeared on the surface of the spherical intermediates. Subsequently, the spherical intermediates transformed directly into long proto-fibrils, which then elongated into mature hCT fibrils. The fibrillation process was also examined using solid-state (13)C-NMR spectroscopy, which indicated that the fibril structure was a β-sheet in the central region and a mixture of random coils and β-sheets at the C-terminus. The kinetics of fibril formation was examined in terms of a two-step autocatalytic reaction mechanism. The first-step nucleation rate (k1) was lower in HEPES solution than in phosphate buffer and acetic acid solution because the half-life of the intermediates is significantly longer in HEPES solution. In contrast, the second-step fibril elongation rate (k2) was similar in HEPES solution and acidic solutions. Specific interaction of HEPES molecules with hCT may stabilize the spherical intermediates and consequently inhibit the fibril elongation process of hCT.

  18. A four-body fully distorted wave - eikonal initial state model for ionization of He targets by ion impact

    Energy Technology Data Exchange (ETDEWEB)

    Monti, J M; Fojon, O A; Rivarola, R D [Instituto de Fisica Rosario (CONICET-UNR) and Facultad de Ciencias Exactas, IngenierIa y Agrimensura, Universidad Nacional de Rosario, Pellegrini 250, 2000 Rosario (Argentina); Hanssen, J, E-mail: jmonti@ifir.edu.a [Institut de Physique, Laboratoire de Physique Moleculaire et des Collisions, Universite Paul Verlaine - Metz, 1 Bv. Arago, 57078 Metz Cedex 3 (France)

    2009-04-01

    A four body-distorted wave model is introduced to study collisions between swift bare ions and dielectronic atomic targets. Both electrons are considered as active, being one of them ionized while the other one remains bound to the residual target. The relevance of electron correlation on the resulting emission electron spectra is investigated for the case of protons impacting on He atoms.

  19. "Magic" Ionization Mass Spectrometry

    Science.gov (United States)

    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.

  20. Above-threshold ionization in neon produced by combining optical and bichromatic XUV femtosecond pulses

    CERN Document Server

    Douguet, Nicolas; Bartschat, Klaus

    2016-01-01

    We consider the ionization of neon induced by a femtosecond laser pulse composed of overlapping, linearly polarized bichromatic extreme ultraviolet and infrared fields. In particular, we study the effects of the infrared light on a two-pathway ionization scheme for which Ne 2s22p53s1P is used as intermediate state. Using time-dependent calculations, supported by a theoretical approach based on the strong-field approximation, we analyze the ionization probability and the photoelectron angular distributions associated with the different sidebands of the ionization spectrum. Complex oscillations of the angular distribution anisotropy parameters as a function of the infrared light intensity are revealed. Finally, we demonstrate that coherent control of the asymmetry is achievable by tuning the infrared frequency to a nearby electronic transition.

  1. Electron ionization of acetylene.

    Science.gov (United States)

    King, Simon J; Price, Stephen D

    2007-11-07

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

  2. Identification of a conserved aggregation-prone intermediate state in the folding pathways of Spc-SH3 amyloidogenic variants.

    Science.gov (United States)

    Krobath, H; Estácio, S G; Faísca, P F N; Shakhnovich, E I

    2012-10-05

    We compared the folding pathways of selected mutational variants of the α-spectrin SH3 domain (Spc-SH3) by using a continuum model that combines a full atomistic protein representation with the Gō potential. Experimental data show that the N47G mutant shows very little tendency to aggregate while the N47A and triple mutant D48G(2Y) are both amyloidogenic, with the latter being clearly more aggregation prone. We identified a strikingly similar native-like folding intermediate across the three mutants, in which strand β(1) is totally unstructured and more than half of the major hydrophobic core residues are highly solvent exposed. Results from extensive docking simulations show that the ability of the intermediates to dimerize is largely driven by strand β(1) and is consistent with the in vitro aggregation behavior reported for the corresponding mutants. They further suggest that residues 44 and 53, which are key players in the nucleation-condensation mechanism of folding, are also important triggers of the aggregation process. Copyright © 2012 Elsevier Ltd. All rights reserved.

  3. Comparison of two equation-of-state models for partially ionized aluminum: Zel'dovich and Raizer's model versus the activity expansion code

    Energy Technology Data Exchange (ETDEWEB)

    Harrach, R.J.; Rogers, F.J.

    1981-09-01

    Two equation-of-state (EOS) models for multipy ionized matter are evaluated for the case of an aluminum plasma in the temperature range from about one eV to several hundred eV, spanning conditions of weak to strong ionization. Specifically, the simple analytical mode of Zel'dovich and Raizer and the more comprehensive model comprised by Rogers' plasma physics avtivity expansion code (ACTEX) are used to calculate the specific internal energy epsilon and average degree of ionization Z-bar*, as functons of temperature T and density rho. In the absence of experimental data, these results are compared against each other, covering almost five orders-of-magnitude variation in epsilon and the full range of Z-bar* We find generally good agreement between the two sets of results, especially for low densities and for temperatures near the upper end of the rage. Calculated values of epsilon(T) agree to within +- 30% over nearly the full range in T for densities below about 1 g/cm/sup 3/. Similarly, the two models predict values of Z-bar*(T) which track each other fairly well; above 20 eV the discrepancy is less than +- 20% fpr rho< or approx. =1 g/cm/sup 3/. Where the calculations disagree, we expect the ACTEX code to be more accurate than Zel'dovich and Raizer's model, by virtue of its more detailed physics content.

  4. Comparison of two equation-of-state models for partially ionized aluminum: Zel'dovich and Raizer's model versus the activity expansion code

    Science.gov (United States)

    Harrach, Robert J.; Rogers, Forest J.

    1981-09-01

    Two equation-of-state (EOS) models for multipy ionized matter are evaluated for the case of an aluminum plasma in the temperature range from about one eV to several hundred eV, spanning conditions of weak to strong ionization. Specifically, the simple analytical mode of Zel'dovich and Raizer and the more comprehensive model comprised by Rogers' plasma physics avtivity expansion code (ACTEX) are used to calculate the specific internal energy ɛ and average degree of ionization Z¯*, as functons of temperature T and density ρ. In the absence of experimental data, these results are compared against each other, covering almost five orders-of-magnitude variation in ɛ and the full range of Z¯* We find generally good agreement between the two sets of results, especially for low densities and for temperatures near the upper end of the rage. Calculated values of ɛ(T) agree to within ±30% over nearly the full range in T for densities below about 1 g/cm3. Similarly, the two models predict values of Z¯*(T) which track each other fairly well; above 20 eV the discrepancy is less than ±20% fpr ρ≲1 g/cm3. Where the calculations disagree, we expect the ACTEX code to be more accurate than Zel'dovich and Raizer's model, by virtue of its more detailed physics content.

  5. The Concerted Impact of Galaxies and QSOs on the Ionization and Thermal State of the Intergalactic Medium

    CERN Document Server

    Kakiichi, Koki; Ciardi, Benedetta; Meiksin, Avery; Compostella, Michele; Eide, Marius B; Zaroubi, Saleem

    2016-01-01

    We present a detailed analysis of the ionization and thermal structure of the intergalactic medium (IGM) around a high-redshift QSO using a large suite of cosmological, multi-frequency radiative transfer (RT) simulations, exploring the contribution from galaxies as well as the QSO, and the effect of X-rays and secondary ionization. We show that in high-z QSO environments both the central QSO and the surrounding galaxies concertedly control the reionization morphology of hydrogen and helium and have a non-linear impact on the thermal structure of the IGM. A QSO imprints a distinctive morphology on H II regions if its total ionizing photon budget exceeds that of the surrounding galaxies since the onset of hydrogen reionization; otherwise, the morphology shows little difference from that of H II regions produced only by galaxies. In addition, the spectral shape of the collective radiation field from galaxies and QSOs controls the thickness of the I-fronts. While a UV-obscured QSO can broaden the I-front, the con...

  6. Ionized Acceptor Bound Exciton States in Wurtzite GaN/AlxGa1-xN Cylindrical Quantum Dot

    Institute of Scientific and Technical Information of China (English)

    郑冬梅; 王宗篪

    2012-01-01

    Based on the framework of the effective-mass approximation, the ionized acceptor bound exciton (A- X) binding energy and the emission wavelength are investigated for a cylindrical wurtzite (WZ) GaN/A1x Ga1-xN quantum dot (QD) with finite potential barriers by means of a variational method. Numerical results show that the binding energy and the emission wavelength highly depend on the QD size, the position of the ionized acceptor and the Al composition x of the barrier material AIxGal-xN. The binding energy and the emission wavelength are larger when the acceptor is located in the vicinity of the left interface of the QD. In particular, the binding energy of ( A-, X) complex is insensitive to the dot height when the acceptor is located at the left boundary of the QD. The ionized acceptor bound exciton binding energy and the emission wavelength are both increased if Al composition x is increased.

  7. P-Cadherin Linking Breast Cancer Stem Cells and Invasion: A Promising Marker to Identify an "Intermediate/Metastable" EMT State.

    Science.gov (United States)

    Ribeiro, Ana Sofia; Paredes, Joana

    2014-01-01

    Epithelial-mesenchymal transition (also known as EMT) is a fundamental mechanism occurring during embryonic development and tissue differentiation, being also crucial for cancer progression. Actually, the EMT program contributes to the dissemination of cancer cells from solid tumors and to the formation of micro-metastasis that subsequently develop into clinically detectable metastases. Besides being a process that is defined by the progressive loss of epithelial cell characteristics and the acquisition of mesenchymal features, EMT has also been implicated in therapy resistance, immune escape, and maintenance of cancer stem cell properties, such as self-renewal capacity. However, the majority of the studies usually neglect the progressive alterations occurring during intermediate EMT states, which imply a range of phenotypic cellular heterogeneity that can potentially generate more metastable and plastic tumor cells. In fact, few studies have tried to identify these transitory states, partly due to the current lack of a detailed understanding of EMT, as well as of reliable readouts for its progression. Herein, a brief review of evidences is presented, showing that P-cadherin expression, which has been already identified as a breast cancer stem cell marker and invasive promoter, is probably able to identify an intermediate EMT state associated with a metastable phenotype. This hypothesis is based on our own work, as well as on the results described by others, which suggest the use of P-cadherin as a promising EMT marker, clearly functioning as an important clinical prognostic factor and putative therapeutic target in breast carcinogenesis.

  8. Vibrations of the S{sub 1} state of fluorobenzene-h{sub 5} and fluorobenzene-d{sub 5} via resonance-enhanced multiphoton ionization (REMPI) spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Harris, Joe P.; Andrejeva, Anna; Tuttle, William D.; Wright, Timothy G., E-mail: Tim.Wright@nottingham.ac.uk [School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD (United Kingdom); Pugliesi, Igor; Schriever, Christian [Lehrstuhl für BioMolekulare Optik, Ludwig-Maximilians-Universität München, Oettingenstr. 67, 80538 München (Germany)

    2014-12-28

    We report resonance-enhanced multiphoton ionization spectra of the isotopologues fluorobenzene-h{sub 5} and fluorobenzene-d{sub 5}. By making use of quantum chemical calculations, the changes in the wavenumber of the vibrational modes upon deuteration are examined. Additionally, the mixing of vibrational modes both between isotopologues and also between the two electronic states is discussed. The isotopic shifts lead to dramatic changes in the appearance of the spectrum as vibrations shift in and out of Fermi resonance. Assignments of the majority of the fluorobenzene-d{sub 5} observed bands are provided, aided by previous results on fluorobenzene-h{sub 5}.

  9. BOOK REVIEW: NCRP Report No. 160: Ionizing Radiation Exposure of the Population of the United States NCRP Report No. 160: Ionizing Radiation Exposure of the Population of the United States

    Science.gov (United States)

    Thurston, Jim

    2010-10-01

    This report by Committee 6 of the Council is an extensive update of a previous report on the exposure of the US population to ionizing radiation sources from data gathered in the 1980s (published as Report 93 in 1987). It is combined with an update on the more in-depth assessment of data on medical exposures previously reported in 1989 (Report 100). Individual chapters in this new report are dedicated to specific sources of exposure to the US population—both from natural and artificial radiation—and the level of detail in each chapter is intended to reflect the significance of the contribution of each source to the total collective dose of the population. The first chapter is on the most significant contributor: background radiation. It expands on the concept of natural background radiation in Report 93, renaming it 'ubiquitous background', and describing in detail the contributions from both extra-terrestrial and terrestrial sources. The data demonstrates that the average dose from such exposure has varied little since the previous report (a slight increase from 3.0 mSv to 3.1 mSv). The next chapter is on medical radiation, i.e. the exposure to the population when attending as patients, not including occupational exposure to hospital workers. The most striking data published in the entire report is the increase in the contribution to the total US population dose attributed to such medical exposures. It is now as significant as that from background radiation: medical exposures now account for an average effective dose to the US citizen of 3.00 mSv, up from 0.53 mSv in 1992 (Report 100). The most important contribution to this increase is the 1.46 mSv from CT scanning alone. The nuclear medicine (including PET) contribution is up from 0.14 mSv to 0.77mSv. This evidently must be due to significant changes in medical radiological practice in the US tied to the increase in the availability of CT and PET imaging facilities. These increasing contributions have driven

  10. Radiative feedback from ionized gas

    CERN Document Server

    Glover, S C O

    2007-01-01

    H2 formation in metal-free gas occurs via the intermediate H- or H2+ ions. Destruction of these ions by photodissociation therefore serves to suppress H2 formation. In this paper, I highlight the fact that several processes that occur in ionized primordial gas produce photons energetic enough to photodissociate H- or H2+ and outline how to compute the photodissociation rates produced by a particular distribution of ionized gas. I also show that there are circumstances of interest, such as during the growth of HII regions around the first stars, in which this previously overlooked form of radiative feedback is of considerable importance.

  11. State-Selective Capture Cross Sections in Proton-Hydrogen and Proton-Helium Collisions at Intermediate and High Energies

    Science.gov (United States)

    Belkic, Dzevad

    1989-01-01

    Total cross sections are computed for electron capture from the ground states of H and He by fast protons using the Corrected first-Born (CB1) approximation. Particular emphasis is given to the formation of atomic hydrogen in excited states 2s, 2p, 3s, 3p, 3d and 4s for which experimental data are available. Detailed comparisons with the measurements are carried out, with the purpose of assessing the validity and utility of the CB1 method for prediction of state-selective cross sections.

  12. Electron transfer, ionization, and excitation in atomic collisions

    Energy Technology Data Exchange (ETDEWEB)

    Winter, T.G.; Alston, S.G.

    1992-01-01

    The research being carried out at Penn State by Winter and Alston addresses the fundamental processes of electron transfer, ionization, and excitation in ion-atom (and ion-ion) collisions. The focus is on intermediate- and higher-energy collisions, corresponding to proton energies of about 25 kilo-electron-volts (keV) or larger. At intermediate energies, where the transition probabilities are not small, many states must be coupled in a large calculation, while at higher energies, perturbative approaches may be used. Several studies have been carried out in the current three-year period; most of these treat systems with only one or two electrons, so that fewer approximations need be made and the basic collisional mechanisms can be more clearly described.

  13. Study of the decay $\\bar{B}^{0}\\rightarrow\\Lambda_{c}^{+}\\bar{p}\\pi^{+}\\pi^{-}$ and its intermediate states

    CERN Document Server

    Lees, J P; Tisserand, V; Grauges, E; Palano, A; 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; So, R Y; Khan, A; Blinov, V E; Buzykaev, A R; Druzhinin, V P; Golubev, V B; Kravchenko, E A; Onuchin, A P; Serednyakov, S I; Skovpen, Yu I; Solodov, E P; Todyshev, K Yu; Yushkov, A N; Kirkby, D; Lankford, A J; Mandelkern, M; Atmacan, H; Gary, J W; Long, O; Vitug, G M; Campagnari, C; Hong, T M; Kovalskyi, D; Richman, J D; West, C A; Eisner, A M; Kroseberg, J; Lockman, W S; Martinez, A J; Schumm, B A; Seiden, A; Chao, D S; Cheng, C H; Echenard, B; Flood, K T; Hitlin, D G; Ongmongkolkul, P; Porter, F C; Rakitin, A Y; Andreassen, R; Huard, Z; Meadows, B T; Sokoloff, M D; Sun, L; Bloom, P C; Ford, W T; Gaz, A; Nauenberg, U; Smith, J G; Wagner, S R; Ayad, R; Toki, W H; Spaan, B; Schubert, K R; Schwierz, R; Bernard, D; Verderi, M; Clark, P J; Playfer, S; Bettoni, D; Bozzi, C; Calabrese, R; Cibinetto, G; Fioravanti, E; Garzia, I; Luppi, E; Piemontese, L; Santoro, V; Baldini-Ferroli, R; Calcaterra, A; de Sangro, R; Finocchiaro, G; Patteri, P; Peruzzi, I M; Piccolo, M; Rama, M; Zallo, A; Contri, R; Guido, E; Vetere, M Lo; Monge, M R; Passaggio, S; Patrignani, C; Robutti, E; Bhuyan, B; Prasad, V; Morii, M; Adametz, A; Uwer, U; Lacker, H M; Lueck, T; Dauncey, P D; Mallik, U; Chen, C; Cochran, J; Meyer, W T; Prell, S; Rubin, A E; Gritsan, A V; Arnaud, N; Davier, M; Derkach, D; Grosdidier, G; Diberder, F Le; Lutz, A M; Malaescu, B; Roudeau, P; Schune, M H; Stocchi, A; Wormser, G; Lange, D J; Wright, D M; Chavez, C A; Coleman, J P; Fry, J R; Gabathuler, E; Hutchcroft, D E; Payne, D J; Touramanis, C; Bevan, A J; Di Lodovico, F; Sacco, R; Sigamani, M; Cowan, G; Davis, C L; Denig, A G; Fritsch, M; Gradl, W; Griessinger, K; Hafner, A; Prencipe, E; Barlow, R J; Jackson, G; Lafferty, G D; Behn, E; Cenci, R; Hamilton, B; Jawahery, A; Roberts, D A; Dallapiccola, C; Cowan, R; Dujmic, D; Sciolla, G; Cheaib, R; Lindemann, D; Patel, P M; Robertson, S H; Biassoni, P; Neri, N; Palombo, F; Stracka, S; Cremaldi, L; Godang, R; Kroeger, R; Sonnek, P; Summers, D J; Nguyen, X; Simard, M; Taras, P; De Nardo, G; Monorchio, D; Onorato, G; Sciacca, C; Martinelli, M; Raven, G; Jessop, C P; LoSecco, J M; Wang, W F; Honscheid, K; Kass, R; Brau, J; Frey, R; Sinev, N B; Strom, D; Torrence, E; Feltresi, E; Gagliardi, N; Margoni, M; Morandin, M; Posocco, M; Rotondo, M; Simi, G; Simonetto, F; Stroili, R; Akar, S; Ben-Haim, E; Bomben, M; Bonneaud, G R; Briand, H; Calderini, G; Chauveau, J; Hamon, O; Leruste, Ph; Marchiori, G; Ocariz, J; Sitt, S; Biasini, M; Manoni, E; Pacetti, S; Rossi, A; Angelini, C; Batignani, G; Bettarini, S; Carpinelli, M; Casarosa, G; Cervelli, A; Forti, F; Giorgi, M A; Lusiani, A; Oberhof, B; Perez, A; Rizzo, G; Walsh, J J; Pegna, D Lopes; Olsen, J; Smith, A J S; Anulli, F; Faccini, R; Ferrarotto, F; Ferroni, F; Gaspero, M; Gioi, L Li; Mazzoni, M A; Piredda, G; Bünger, C; Grünberg, O; Hartmann, T; Leddig, T; Schröder, H; Voß, C; Waldi, R; Adye, T; Olaiya, E O; Wilson, F F; Emery, S; de Monchenault, G Hamel; Vasseur, G; Y\\`, Ch; Aston, D; Bartoldus, R; Benitez, J F; Cartaro, C; Convery, M R; Dorfan, J; Dubois-Felsmann, G P; Dunwoodie, W; Ebert, M; Field, R C; Sevilla, M Franco; Fulsom, B G; Gabareen, A M; Graham, M T; Grenier, P; Hast, C; Innes, W R; Kelsey, M H; Kim, P; Kocian, M L; Leith, D W G S; Lewis, P; Lindquist, B; Luitz, S; Luth, V; Lynch, H L; MacFarlane, D B; Muller, D R; Neal, H; Nelson, S; Perl, M; Pulliam, T; Ratcliff, B N; Roodman, A; Salnikov, A A; Schindler, R H; Snyder, A; Su, D; Sullivan, M K; Va'vra, J; Wagner, A P; Wisniewski, W J; Wittgen, M; Wright, D H; Wulsin, H W; Young, C C; Ziegler, V; Park, W; Purohit, M V; White, R M; Wilson, J R; Randle-Conde, A; Sekula, S J; Bellis, M; Burchat, P R; Miyashita, T S; Puccio, E M T; Alam, M S; Ernst, J A; Gorodeisky, R; Guttman, N; Peimer, D R; Soffer, A; Spanier, S M; Ritchie, J L; Ruland, A M; Schwitters, R F; Wray, B C; Izen, J M; Lou, X C; Bianchi, F; Gamba, D; Zambito, S; Lanceri, L; Vitale, L; Martinez-Vidal, F; Oyanguren, A; Villanueva-Perez, P; Ahmed, H; Albert, J; Banerjee, Sw; Bernlochner, F U; Choi, H H F; King, G J; Kowalewski, R; Lewczuk, M J; Nugent, I M; Roney, J M; Sobie, R J; Tasneem, N; Gershon, T J; Harrison, P F; Latham, T E; Band, H R; Dasu, S; Pan, Y; Prepost, R; Wu, S L

    2013-01-01

    We study the decay $\\bar{B}^{0}\\rightarrow\\Lambda_{c}^{+}\\bar{p}\\pi^{+}\\pi^{-}$, reconstructing the \\Lambda_{c}^{+} baryon in the $p K^{-}\\pi^{+}$ mode, using a data sample of $467\\times 10^{6}$ $B\\bar{B}$ pairs collected with the BaBar detector at the PEP-2 storage rings at SLAC. We measure branching fractions for decays with intermediate $\\Sigma_{c}$ baryons to be ${\\cal B}[\\bar{B}^{0}\\rightarrow\\Sigma_{c}(2455)^{++}\\bar{p}\\pi^{-}]=(21.3 \\pm 1.0 \\pm 1.0 \\pm 5.5) \\times 10^{-5}$, ${\\cal B}[\\bar{B}^{0}\\rightarrow\\Sigma_{c}(2520)^{++}\\bar{p}\\pi^{-}]=(11.5\\pm 1.0 \\pm 0.5 \\pm 3.0)\\times 10^{-5}$, ${\\cal B}[\\bar{B}^{0}\\rightarrow\\Sigma_{c}(2455)^{0}\\bar{p}\\pi^{+}]=(9.1 \\pm 0.7 \\pm 0.4 \\pm 2.4)\\times10^{-5}$, and ${\\cal B}[\\bar{B}^{0}\\rightarrow\\Sigma_{c}(2520)^{0}\\bar{p}\\pi^{+}]= (2.2 \\pm 0.7 \\pm 0.1\\pm 0.6) \\times 10^{-5}$, where the uncertainties are statistical, systematic, and due to the uncertainty on the $\\Lambda_{c}^{+}\\rightarrow\\proton\\Km\\pi^{+}$ branching fraction, respectively. For decays without $\\Sig...

  14. Steady state emission of the fluorescent intermediate of Anabaena Sensory Rhodopsin as a function of light adaptation conditions

    Science.gov (United States)

    Cheminal, A.; Léonard, J.; Kim, S. Y.; Jung, K.-H.; Kandori, H.; Haacke, S.

    2013-11-01

    Steady-state fluorescence measurements of the first excited state of the anabaena sensory rhodopsin (ASR), and Bacteriorhodopsin are reported for different light stabilization conditions, including the dark-adapted state. We determine the fluorescence spectra of both all-trans (AT), and 13-cis (13C) protonated Schiff base of retinal, and compare the effect of the proteins. Referenced against the fluorescence quantum yield of AT-bR (2.5 × 10-4) we find for AT-ASR, 13C-ASR, and 13C-bR the values of 3.3 × 10-4, 0.8 × 10-4, and 1.7 × 10-4, respectively. Using reported excited state lifetimes, the radiative rates are deduced, and their differences discussed on the basis of a configuration-dependent oscillator strength.

  15. Protein dynamics in an intermediate state of myoglobin: optical absorption, resonance Raman spectroscopy, and x-ray structure analysis.

    OpenAIRE

    N. Engler; Ostermann, A; Gassmann, A.; Lamb, D C; Prusakov, V E; J. Schott; Schweitzer-Stenner, R; Parak, F. G.

    2000-01-01

    A metastable state of myoglobin is produced by reduction of metmyoglobin at low temperatures. This is done either by irradiation with x-rays at 80 K or by electron transfer from photoexcited tris(2, 2'-bipyridine)-ruthenium(II) at 20 K. At temperatures above 150 K, the conformational transition toward the equilibrium deoxymyoglobin is observed. X-ray crystallography, Raman spectroscopy, and temperature-dependent optical absorption spectroscopy show that the metastable state has a six-ligated ...

  16. Dee-Mack Intermediate School

    Science.gov (United States)

    Northwest Evaluation Association, 2012

    2012-01-01

    Frank Reliford, the Principal at Dee-Mack Intermediate since 2005, is familiar to almost every child in the community. 260 Students attend Reliford's school, and their status is a point of pride: Dee-Mack Intermediate is consistently one of the highest performing schools in the state. The change in student performance correlates to the…

  17. Dynamics of electron impact ionization of the outer and inner valence (1t{sub 2} and 2a{sub 1}) molecular orbitals of CH{sub 4} at intermediate and large ion recoil momentum

    Energy Technology Data Exchange (ETDEWEB)

    Lahmam-Bennani, A; Naja, A; Staicu Casagrande, E M; Okumus, N [Laboratoire des Collisions Atomiques et Moleculaires (LCAM), Universite Paris-Sud 11, Bat. 351, 91405 Orsay Cedex (France); Dal Cappello, C [Laboratoire de Physique Moleculaire et des Collisions, Institut de Physique, ICPMB (FR 2843), Universite Paul Verlaine-Metz, 1 rue Arago, 57078 Metz Cedex 3 (France); Charpentier, I [Laboratoire de Physique et Mecanique des Materiaux (UMR 7554), Universite Paul Verlaine-Metz, Ile du Saulcy, 57045 Metz Cedex 1 (France); Houamer, S [Laboratoire de Physique Quantique et Systemes Dynamiques, Universite Ferhat Abbas, Setif (Algeria)

    2009-08-28

    The triply differential cross section has been measured for electron-impact ionization of the outer valence 1t{sub 2} and the inner valence 2a{sub 1} orbitals of methane using the (e,2e) technique with coplanar asymmetric kinematics. The measurements are performed at scattered electron energy of 500 eV, ejected electron energy of 12, 37 and 74 eV and for scattering angle of the fast outgoing electron of 6 deg. This kinematics is characterized by a target ion recoil momentum ranging from moderate (0.25 au) to very large (3.2 au) values. The results are compared with theoretical cross sections calculated using the 1CW and the BBK models recently extended to molecules. The experimental cross sections exhibit a very large recoil scattering, especially for the inner 2a{sub 1} molecular orbital, which is not predicted by the theory. The differences between experiment and theory are attributed to the very strong scattering from the ion, not properly accounted for by theory. This indicates the need for further theoretical developments as well as experimental investigations in order to correctly model the process of molecular ionization.

  18. Ocorrência de Lymnaea columella (Gastropoda: Lymnaeidae, hospedeiro intermediário da Fasciola hepatica, para o Estado da Paraíba, Brasil Occurrence of Lymnaea columella (Gastropoda: Lymnaeidae, first intermediate host of Fasciola hepatica, for the state of Paraíba, Brazil

    Directory of Open Access Journals (Sweden)

    Francisco José Pegado Abílio

    1998-04-01

    Full Text Available Foi registrada a ocorrência de Lymnaea columella (Gastropoda: Lymnaeidae, primeiro hospedeiro intermediário da Fasciola hepatica, para o Estado da Paraíba, Brasil, associado a macrófitas aquáticas.The occurrence of Lymnaea Columella (Gastropoda: Lymnaeidae, first intermediate host of Fasciola hepatica, is recorded for the first time in the state of Paraíba, Brazil, associeted with aquatic macrophytes.

  19. Circular Dichroism in Multiphoton Ionization of Resonantly Excited He+ Ions

    Science.gov (United States)

    Ilchen, M.; Douguet, N.; Mazza, T.; Rafipoor, A. J.; Callegari, C.; Finetti, P.; Plekan, O.; Prince, K. C.; Demidovich, A.; Grazioli, C.; Avaldi, L.; Bolognesi, P.; Coreno, M.; Di Fraia, M.; Devetta, M.; Ovcharenko, Y.; Düsterer, S.; Ueda, K.; Bartschat, K.; Grum-Grzhimailo, A. N.; Bozhevolnov, A. V.; Kazansky, A. K.; Kabachnik, N. M.; Meyer, M.

    2017-01-01

    Intense, circularly polarized extreme-ultraviolet and near-infrared (NIR) laser pulses are combined to double ionize atomic helium via the oriented intermediate He+(3 p ) resonance state. Applying angle-resolved electron spectroscopy, we find a large photon helicity dependence of the spectrum and the angular distribution of the electrons ejected from the resonance by NIR multiphoton absorption. The measured circular dichroism is unexpectedly found to vary strongly as a function of the NIR intensity. The experimental data are well described by theoretical modeling and possible mechanisms are discussed.

  20. Probing the hard and intermediate states of X-ray binaries using short time-scale variability

    CERN Document Server

    Skipper, Chris J

    2016-01-01

    Below an accretion rate of approximately a few per cent of the Eddington accretion rate, X-ray binary systems are not usually found in the soft spectral state. However, at accretion rates a factor of a few lower still, in the hard state, there is another spectral transition which is well observed but not well understood. Below ~0.5-1 per cent of the Eddington accretion rate (m_crit), the spectral index hardens with increasing accretion rate, but above m_crit, although still in the hard state, the spectral index softens with increasing accretion rate. Here we use a combination of X-ray spectral fitting and a study of short time-scale spectral variability to examine the behaviour of three well-known X-ray binaries: Cygnus X-1, GX 339-4 and XTE J1118+480. In Cygnus X-1 we find separate hard and soft continuum components, and show using root-mean-square (rms) spectra that the soft component dominates the variability. The spectral transition at m_crit is clearly present in the hard-state hardness-intensity diagram...

  1. Crystal structure of a periplasmic solute binding protein in metal-free, intermediate and metal-bound states from Candidatus Liberibacter asiaticus.

    Science.gov (United States)

    Sharma, Nidhi; Selvakumar, Purushotham; Bhose, Sumit; Ghosh, Dilip Kumar; Kumar, Pravindra; Sharma, Ashwani Kumar

    2015-03-01

    The Znu system, a member of ABC transporter family, is critical for survival and pathogenesis of Candidatus Liberibacter asiaticus (CLA). Two homologues of this system have been identified in CLA. Here, we report high resolution crystal structure of a periplasmic solute binding protein from second of the two gene clusters of Znu system in CLA (CLas-ZnuA2) in metal-free, intermediate and metal-bound states. CLas-ZnuA2 showed maximum sequence identity to the Mn/Fe-specific solute binding proteins (SBPs) of cluster A-I family. The overall fold of CLas-ZnuA2 is similar to the related cluster A-I family SBPs. The sequence and structure analysis revealed the unique features of CLas-ZnuA2. The comparison of CLas-ZnuA2 structure in three states showed that metal binding and release is facilitated by a large displacement along with a change in orientation of the side chain for one of the metal binding residue (His39) flipped away from metal binding site in metal-free form. The crystal structure captured in intermediate state of metal binding revealed the changes in conformation and interaction of the loop hosting His39 during the metal binding. A rigid body movement of C-domain along with partial unfolding of linker helix at its C-terminal during metal binding, as reported for PsaA, was not observed in CLas-ZnuA2. The present results suggest that despite showing maximum sequence identity to the Mn/Fe-specific SBPs, the mechanistic resemblance of CLas-ZnuA2 seems to be closer to Zn-specific SBPs of cluster A-I family.

  2. Persistent Cold States of the Tropical Pacific Ocean in an Intermediate Coupled Model and a General Circulation Model

    Science.gov (United States)

    Ramesh, N.; Cane, M. A.; Seager, R.

    2014-12-01

    The tropical Pacific Ocean has persistently cool sea surface temperature (SST) anomalies that last several years to a decade, with either no El Niño events or very few weak El Niño events. These have been shown to cause large-scale droughts in the extratropics[i], including the major North American droughts such as the 1930s Dust Bowl, and may also be responsible for modulating the global mean surface temperature[ii]. Here we show that two models with different levels of complexity - the Zebiak-Cane model and the Geophysical Fluid Dynamics Laboratory Coupled Model version 2.1 - are able to produce such periods in a realistic manner. We then test the predictability of these periods in the Zebiak-Cane model using an ensemble of experiments with perturbed initial states. Our results show that the cool mean state is modestly predictable, while the lack of El Niño events during these cool periods is not. These results have implications for our understanding of the origins of such persistent cool states and the possibility of improving predictions of large-scale droughts. Further, we apply this method of using an ensemble of model simulations with perturbed initial states to make retrospective forecasts and to forecast the mean state of the tropical Pacific Ocean for the upcoming decade. Our results suggest, albeit with low confidence, that the current cool mean state will persist. This could imply the continuation of the drier than normal conditions that have, in general, afflicted southwest North America since the 1997/98 El Niño, as well as the current pause in global warming. [i] C. Herweijer and R. Seager, "The global footprint of persistent extra-tropical drought in the instrumental era," International Journal of Climatology, vol. 28, pp. 1761-1774, 2008. [ii] G. A. Meehl, J. M. Arblaster, J. T. Fasullo, A. Hu and K. E. Trenberth, "Model-based evidence of deep-ocean heat uptake during surface-temperature hiatus periods," Nature Climate Change, vol. 1, pp. 360

  3. Excitation of helium to the n=2 states in intermediate energy H{sup {minus}} + He collisions

    Energy Technology Data Exchange (ETDEWEB)

    Kvale, T.J.; Yushan Lu; Theodosiou, C.E. [Univ. of Toledo, OH (United States); Seely, D.G. [Albion College, MI (United States)

    1996-05-01

    The first measurements and calculations of excitation of helium to the n=2 states by H{sup {minus}} impact are reported. The experimental method that was employed in these measurements was Ion Energy-Loss Spectroscopy which resulted in absolute cross section determinations. A H{sup {minus}} ion beam was accelerated into a gas target cell containing helium and the scattered H{sup {minus}} beam was magnetically separated from the other charge state components of the emerging projectile beam and directed into an energy analyzer in the decelerator terminal. The potential placed on the accelerator was varied to produce the energy-loss spectra. These spectra were analyzed in order to deduce the cross section values. Cross section predictions using the VPSA model, with explicit allowance for the internal structure of H{sup {minus}}, are also reported and will be compared to the experimentally determined cross sections.

  4. Atomic Ionization by Electron Impact

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    The field of atomic ionization by electron impact is several decades old. In that period of time, significant progress has been made in several aspects of the problem and we have learned a lot about ionizing collisions as a result of this work. Over the years, both the experiments and theories have improved dramatically. Experiments are now able to measure absolute triple differential cross sections for both in-plane or out-of-plane geometries. Theories have been getting better and better at including all the 3-body interactions in the wavefunction for the system. However, during the history of the field, experiment has been ahead of theory and it is just very recently that theory has started to catch up. In this paper, we will show that theory is now able to accurately predict the results of electron impact ionization of hydrogen for intermediate and higher energies.

  5. Measurement of key resonance states for the P30(p,γS31 reaction rate, and the production of intermediate-mass elements in nova explosions

    Directory of Open Access Journals (Sweden)

    A. Kankainen

    2017-06-01

    Full Text Available We report the first experimental constraints on spectroscopic factors and strengths of key resonances in the P30(p,γS31 reaction critical for determining the production of intermediate-mass elements up to Ca in nova ejecta. The P30(d,nS31 reaction was studied in inverse kinematics using the GRETINA γ-ray array to measure the angle-integrated cross-sections of states above the proton threshold. In general, negative-parity states are found to be most strongly produced but the absolute values of spectroscopic factors are typically an order of magnitude lower than predicted by the shell-model calculations employing WBP Hamiltonian for the negative-parity states. The results clearly indicate the dominance of a single 3/2− resonance state at 196 keV in the region of nova burning T≈0.10–0.17 GK, well within the region of interest for nova nucleosynthesis. Hydrodynamic simulations of nova explosions have been performed to demonstrate the effect on the composition of nova ejecta.

  6. Measurement of key resonance states for the 30P (p , γ)31S reaction rate, and the production of intermediate-mass elements in nova explosions

    Science.gov (United States)

    Kankainen, A.; Woods, P. J.; Schatz, H.; Poxon-Pearson, T.; Doherty, D. T.; Bader, V.; Baugher, T.; Bazin, D.; Brown, B. A.; Browne, J.; Estrade, A.; Gade, A.; José, J.; Kontos, A.; Langer, C.; Lotay, G.; Meisel, Z.; Montes, F.; Noji, S.; Nunes, F.; Perdikakis, G.; Pereira, J.; Recchia, F.; Redpath, T.; Stroberg, R.; Scott, M.; Seweryniak, D.; Stevens, J.; Weisshaar, D.; Wimmer, K.; Zegers, R.

    2017-06-01

    We report the first experimental constraints on spectroscopic factors and strengths of key resonances in the 30P (p , γ)31S reaction critical for determining the production of intermediate-mass elements up to Ca in nova ejecta. The 30P (d , n)31S reaction was studied in inverse kinematics using the GRETINA γ-ray array to measure the angle-integrated cross-sections of states above the proton threshold. In general, negative-parity states are found to be most strongly produced but the absolute values of spectroscopic factors are typically an order of magnitude lower than predicted by the shell-model calculations employing WBP Hamiltonian for the negative-parity states. The results clearly indicate the dominance of a single 3 /2- resonance state at 196 keV in the region of nova burning T ≈ 0.10- 0.17 GK, well within the region of interest for nova nucleosynthesis. Hydrodynamic simulations of nova explosions have been performed to demonstrate the effect on the composition of nova ejecta.

  7. Measurement of key resonance states for the P-30(p, gamma)S-31 reaction rate, and the production of intermediate -mass elements in nova explosions

    Energy Technology Data Exchange (ETDEWEB)

    Kankainen, A.; Woods, P. J.; Schatz, H.; Poxon-Pearson, T.; Doherty, D. T.; Bader, V.; Baugher, T.; Bazin, D.; Brown, B. A.; Browne, J.; Seweryniak, D.

    2017-06-10

    We report the first experimental constraints on spectroscopic factors and strengths of key resonances in the P-30(p, gamma)S-31 reaction critical for determining the production of intermediate-mass elements up to Ca in nova ejecta. The P-30(d,n)S-31 reaction was studied in inverse kinematics using the GRETINA gamma-ray array to measure the angle-integrated cross-sections of states above the proton threshold. In general, negative parity states are found to be most strongly produced but the absolute values of spectroscopic factors are typically an order of magnitude lower than predicted by the shell-model calculations employing WBP Hamiltonian for the negative-parity states. The results clearly indicate the dominance of a single 3/2(-) resonance state at 196 keV in the region of nova burning T approximate to 0.10-0.17 GM, well within the region of interest for nova nucleosynthesis. Hydrodynamic simulations of nova explosions have been performed to demonstrate the effect on the composition of nova ejecta.

  8. Mid-infrared picosecond pump-dump-probe and pump-repump-probe experiments to resolve a ground-state intermediate in cyanobacterial phytochrome Cph1.

    Science.gov (United States)

    van Wilderen, Luuk J G W; Clark, Ian P; Towrie, Michael; van Thor, Jasper J

    2009-12-24

    Multipulse picosecond mid-infrared spectroscopy has been used to study photochemical reactions of the cyanobacterial phytochrome photoreceptor Cph1. Different photophysical schemes have been discussed in the literature to describe the pathways after photoexcitation, particularly, to identify reaction phases that are linked to photoisomerisation and electronic decay in the 1566-1772 cm(-1) region that probes C=C and C=O stretching modes of the tetrapyrrole chromophore. Here, multipulse spectroscopy is employed, where, compared to conventional visible pump-mid-infrared probe spectroscopy, an additional visible pulse is incorporated that interacts with populations that are evolving on the excited- and ground-state potential energy surfaces. The time delays between the pump and the dump pulse are chosen such that the dump pulse interacts with different phases in the reaction process. The pump and dump pulses are at the same wavelength, 640 nm, and are resonant with the Pr ground state as well as with the excited state and intermediates. Because the dump pulse additionally pumps the remaining, partially recovered, and partially oriented ground-state population, theory is developed for estimating the fraction of excited-state molecules. The calculations take into account the model-dependent ground-state recovery fraction, the angular dependence of the population transfer resulting from the finite bleach that occurs with linearly polarized intense femtosecond optical excitation, and the partially oriented population for the dump field. Distinct differences between the results from the experiments that use a 1 or a 14 ps dump time favor a branching evolution from S1 to an excited state or reconfigured chromophore and to a newly identified ground-state intermediate (GSI). Optical dumping at 1 ps shows the instantaneous induced absorption of a delocalized C=C stretching mode at 1608 cm(-1), where the increased cross section is associated with the electronic ground-state

  9. Formation of ultracold 7Li85Rb molecules in the lowest triplet electronic state by photoassociation and their detection by ionization spectroscopy

    Science.gov (United States)

    Altaf, Adeel; Dutta, Sourav; Lorenz, John; Pérez-Ríos, Jesús; Chen, Yong P.; Elliott, D. S.

    2015-03-01

    We report the formation of ultracold 7Li85Rb molecules in the a3Σ+ electronic state by photoassociation (PA) and their detection via resonantly enhanced multiphoton ionization (REMPI). With our dual-species Li and Rb magneto-optical trap apparatus, we detect PA resonances with binding energies up to ˜62 cm-1 below the 7Li 2s 2S1/2 + 85Rb 5p 2P1/2 asymptote. In addition, we use REMPI spectroscopy to probe the a3Σ+ state and excited electronic 33Π and 43Σ+ states and identify a3Σ+ (v″ = 7-13), 33Π (vΠ' = 0-10), and 43Σ+ (vΣ' = 0-5) vibrational levels. Our line assignments agree well with ab initio calculations. These preliminary spectroscopic studies on previously unobserved electronic states are crucial to discovering transition pathways for transferring ultracold LiRb molecules created via PA to deeply bound rovibrational levels of the electronic ground state.

  10. Spectroscopy from the Hubble Space Telescope Cosmic Origins Spectrograph of the Southern Nova-like BB Doradus in an Intermediate State

    Science.gov (United States)

    Godon, Patrick; Sion, Edward M.; Gänsicke, Boris T.; Hubeny, Ivan; de Martino, Domitilla; Pala, Anna F.; Rodríguez-Gil, Pablo; Szkody, Paula; Toloza, Odette

    2016-12-01

    We present a spectral analysis of the spectrum from the Hubble Space Telescope Cosmic Origins Spectrograph (HST/COS) of the southern VY Scl nova-like variable BB Doradus, obtained as part of a Cycle 20 HST/COS survey of accreting white dwarfs (WDs) in cataclysmic variables. BB Dor was observed with COS during an intermediate state with a low mass accretion rate, thereby allowing an estimate of the WD temperature. The results of our spectral analysis show that the WD is a significant far-ultraviolet (FUV) component of the spectrum with a temperature of about 35,000-50,000 K, assuming a WD mass of 0.80 {M}⊙ ({log}(g)=8.4). The disk, with a mass accretion rate of ≈ {10}-10 {M}⊙ {{yr}}-1, contributes about 1/5 to 1/2 of the FUV flux.

  11. Universal behavior of chalcogenides of rare-earth metals in the transition to a state with intermediate valence at high pressures

    Energy Technology Data Exchange (ETDEWEB)

    Tsiok, O. B.; Khvostantsev, L. G.; Brazhkin, V. V., E-mail: brazhkin@hppi.troitsk.ru [Russian Academy of Sciences, Vereshchagin Institute of High-Pressure Physics (Russian Federation)

    2015-06-15

    Precision measurements of resistivity, thermopower, and volume are performed for TmS, TmSe, and TmTe under a hydrostatic pressure up to 8 GPa. Comparison of the transport properties and volume of TmTe and SmTe in the valence transition region demonstrates a complete analogy up to quantitative coincidence. It is shown that the thermopower of all thulium and samarium chalcogenides in the lattice collapse region and in subsequent rearrangement of the electron spectrum in a wide range of pressures follow a universal dependence corresponding the passage of the Fermi level through the peak of the density of states (DOS). The results are considered in the context of ideas about the exciton nature of the intermediate valence in chalcogenides of rare-earth metals.

  12. A two-step spin transition with a disordered intermediate state in a new two-dimensional coordination polymer.

    Science.gov (United States)

    Rodríguez-Velamazán, J Alberto; Castro, Miguel; Palacios, Elías; Burriel, Ramón; Kitazawa, Takafumi; Kawasaki, Takeshi

    2007-02-15

    The two-dimensional (2D) polymeric spin crossover (SCO) compound Fe(py)2[Ag(CN)2]2 has been synthesized. The compound shows a two-step spin transition detected by magnetic, heat capacity, and X-ray diffraction measurements. The magnetic moment shows a high-temperature step (step 1) occurring at 146.3 K without hysteresis, while the low-temperature step (step 2) happens at 84 K on cooling and 98.2 K on heating. These measurements reveal a large amount of residual high spin (HS) species (23%) and that HS state trapping occurs at cooling rates of around 1 K min(-1) or higher. The two-step behavior has been confirmed by heat capacity, which gives, for steps 1 and 2, respectively, DeltaH1 = 3.33 kJ mol(-1), DeltaS1 = 22.6 J mol(-1) K(-1), and DeltaH2 = 1.51 kJ mol(-1), DeltaS2 = 15.7 J mol(-1) K(-1). For step 2 a hysteresis of 10 K has been determined with dynamic measurements. Powder X-ray diffraction at room temperature shows that the compound is isostructural to Cd(py)2[Ag(CN)2]2 previously reported. Powder X-ray diffraction indicates that there is only one crystallographic site for iron(II) in the whole temperature range, confirmed by Mössbauer spectroscopy. The X-ray diffraction study at different temperatures do not show any superstructure in the region between the transitions, discarding a crystallographic phase transition as the origin of the two-step behavior. However, an unexpected increase of the thermal factor is detected on lowering the temperature and considered as a manifestation of a disordered state between the two steps, consisting of a mixing of HS and LS species without long-range order.

  13. Features of the oxidation processes and state of microcirculatory channel have persons exposed to low doses of ionizing radiation

    Directory of Open Access Journals (Sweden)

    Ya. V. Porovsky

    2012-01-01

    Full Text Available We have examined 36 liquidators (participants in emergency clean-up after the Chernobylnuclear accident many years after the external γ-irradiation (on average (143.0 ± 14.0 mGy for (3.3 ± 0.8 months and 13 workers of a typical research nuclear reactor, who were subject to chronic external γ-irradiation (on average (78.40 ± 12.21 mGy for (13.1 ± 2.2 years. The level of metabolites of lipid peroxidation (conjugated diene and triene conjugates of lipid hydroperoxides, TBA-reactive products and the activity of catalase, superoxide dismutase, 5'-nucleotidase in blood serum were determined; changes in vessels of microcirculatory bloodstream (MCB in skin-muscle bioptate were analyzed. Under the action of small doses of ionizing radiation, the oxidative disbalance and changes in activity of 5'-nucleotidase in blood serum сaccompanying the systematic inflammatory alteration of MCB vessels were found.

  14. Photoreduction and validation of haem–ligand intermediate states in protein crystals by in situ single-crystal spectroscopy and diffraction

    Directory of Open Access Journals (Sweden)

    Demet Kekilli

    2017-05-01

    Full Text Available Powerful synergies are available from the combination of multiple methods to study proteins in the crystalline form. Spectroscopies which probe the same region of the crystal from which X-ray crystal structures are determined can give insights into redox, ligand and spin states to complement the information gained from the electron-density maps. The correct assignment of crystal structures to the correct protein redox and ligand states is essential to avoid the misinterpretation of structural data. This is a particular concern for haem proteins, which can occupy a wide range of redox states and are exquisitely sensitive to becoming reduced by solvated electrons generated from interactions of X-rays with water molecules in the crystal. Here, single-crystal spectroscopic fingerprinting has been applied to investigate the laser photoreduction of ferric haem in cytochrome c′. Furthermore, in situ X-ray-driven generation of haem intermediates in crystals of the dye-decolourizing-type peroxidase A (DtpA from Streptomyces lividans is described.

  15. Calculations of nonlinear response properties using the intermediate state representation and the algebraic-diagrammatic construction polarization propagator approach: two-photon absorption spectra.

    Science.gov (United States)

    Knippenberg, S; Rehn, D R; Wormit, M; Starcke, J H; Rusakova, I L; Trofimov, A B; Dreuw, A

    2012-02-14

    An earlier proposed approach to molecular response functions based on the intermediate state representation (ISR) of polarization propagator and algebraic-diagrammatic construction (ADC) approximations is for the first time employed for calculations of nonlinear response properties. The two-photon absorption (TPA) spectra are considered. The hierarchy of the first- and second-order ADC∕ISR computational schemes, ADC(1), ADC(2), ADC(2)-x, and ADC(3/2), is tested in applications to H(2)O, HF, and C(2)H(4) (ethylene). The calculated TPA spectra are compared with the results of coupled cluster (CC) models and time-dependent density-functional theory (TDDFT) calculations, using the results of the CC3 model as benchmarks. As a more realistic example, the TPA spectrum of C(8)H(10) (octatetraene) is calculated using the ADC(2)-x and ADC(2) methods. The results are compared with the results of TDDFT method and earlier calculations, as well as to the available experimental data. A prominent feature of octatetraene and other polyene molecules is the existence of low-lying excited states with increased double excitation character. We demonstrate that the two-photon absorption involving such states can be adequately studied using the ADC(2)-x scheme, explicitly accounting for interaction of doubly excited configurations. Observed peaks in the experimental TPA spectrum of octatetraene are assigned based on our calculations.

  16. [Influence of ionizing radiation on the condition of the protein-synthesizing system in ground squirrel brain neurons at different functional states].

    Science.gov (United States)

    Gordon, R Ia; Ignat'ev, D A; Mel'nikova, E V; Rogachevskaĭ, V V; Kraev, I V; Khutsian, S S

    2006-01-01

    It was shown by fluorescent and electron microscopy that the physiological state of ground squirrels subjected to ionizing radiation at different phases of the torpor-normothermia cycle plays a determining role in the alteration of the conditions of the protein-synthesizing system in neurons of hippocampus fields CA1 and CA3 and sensomotor area of the brain. In ground squirrels irradiated under normothermia, the neurons were less radioresistant and restored slower compared with torpor animal cells, the distinctions being most expressed in CA1 field neurons. The effect of irradiation was minimum during the entrance into torpor and maximum during arousal. It was supposed that the inhibition of protein synthesis in the latter case occurred at the elongation stage when heavy polyribosomes were formed in neuron cytoplasm.

  17. Comparison of experimental and theoretical fully differential cross sections for single ionization of the 2 s and 2 p states of Li by O8 + ions

    Science.gov (United States)

    Ghanbari-Adivi, Ebrahim; Fischer, Daniel; Ferreira, Natalia; Goullon, Johannes; Hubele, Renate; LaForge, Aaron; Schulz, Michael; Madison, Don

    2016-08-01

    This paper presents a full three-dimensional (3D) comparison between experiment and theory for 24 MeV O8 + single ionization of the 2 s ground state of lithium and the 2 p excited state. Two theoretical approximations are examined: the three-body continuum distorted-wave (3DW) and three-body continuum distorted-wave-eikonal initial state (3DW-EIS). Normally, there is a significant difference between these two approaches and the 3DW-EIS is in much better agreement with experiment. In this case, there is very little difference between the two approaches and both are in very good agreement with experiment. For the excited 2 p state, the 3D cross sections would exhibit a mirror symmetry about the scattering plane if all three magnetic sublevels were excited in equal proportions. For the present experiment, the 2 p+1(m =+1 ) sublevel is dominantly excited (quantization axis is the incident beam direction) and for this case there is a magnetic dichroism which is observed both experimentally and theoretically.

  18. Intermediate dosimetric quantities.

    Science.gov (United States)

    Kellerer, A M; Hahn, K; Rossi, H H

    1992-04-01

    The transfer of energy from ionizing radiation to matter involves a series of steps. In wide ranges of their energy spectra photons and neutrons transfer energy to an irradiated medium almost exclusively by the production of charged particles which ionize and thereby produce electrons that can ionize in turn. The examination of these processes leads to a series of intermediate quantities. One of these is kerma, which has long been employed as a measure of the energy imparted in the first of the interactions. It depends only on the fluence of uncharged particles and is therefore--unlike absorbed dose and electron fluence--insensitive to local differences of receptor geometry and composition. An analogous quantity for charged-particle fields, cema (converted energy per unit mass), is defined, which quantifies the energy imparted in terms of the interactions of charged particles, disregarding energy dissipation by secondary electrons. Cema can be expressed as an integral over the fluence of ions times their stopping power. However, complications arise when the charged particles are electrons, and when their fluence cannot be separated from that of the secondaries. The resulting difficulty can be circumvented by the definition of reduced cema. This quantity corresponds largely to the concept employed in the cavity theory of Spencer and Attix. In reduced cema not all secondary electrons but all electrons below a chosen cutoff energy, delta, are considered to be absorbed locally. When the cutoff energy is reduced, cema approaches absorbed dose and thereby becomes sensitive to highly local differences in geometry or composition. With larger values of delta, reduced cema is a useful parameter to specify the dose-generating potential of a charged-particle field 'free in air' or in vacuo. It is nearly equal to the mean absorbed dose in a sphere with radius equal to the range of electrons of energy delta. Reduced cema is a function of the fluence at the specified location at

  19. Spectroscopic Study of ThCl+ by Two-Photon Ionization

    Science.gov (United States)

    Bartlett, Joshua; VanGundy, Robert A.; Heaven, Michael; Peterson, Kirk

    2016-06-01

    Despite the irreplaceable role experimental data plays for evaluating the performance of computational predictions, diatomic actinide species have not received much spectroscopic attention. As an early actinide element, thorium-containing species are ideal candidates for these types of studies. The electronic structure is expected to be relatively simple compared to later actinides, and therefore allows straightforward assessment of calculations. Here, we have studied ThCl+ for the first time via resonant two-photon ionization of jet-cooled ThCl produced by laser ablation of the metal reacted with dilute Cl2. Laser-induced Fluorescence (LIF) spectra have been recorded for the neutral molecule from 16000 - 23500 cm-1 in search of a suitable intermediate state for subsequent two-photon ionization experiments. Monochromator dispersion of the fluorescence has recovered the ground state vibration and anharmonic constants of ThCl. Resonant Two-Photon Ionization (R2PI) within a time-of-flight mass spectrometer was used to confirm ThCl production, and Pulsed Field Ionization Zero Kinetic Energy photoelectron spectroscopy (PFI-ZEKE) has been performed to identify the ionization energy as well as several of the low-lying states of the ThCl+ molecule. These constants have been predicted at the CASPT2 and CCSD(T) levels of theory, and a discussion of the calculations' performance will be presented alongside the recorded spectra.

  20. Pump-dump-probe and pump-repump-probe ultrafast spectroscopy resolves cross section of an early ground state intermediate and stimulated emission in the photoreactions of the Pr ground state of the cyanobacterial phytochrome Cph1.

    Science.gov (United States)

    Fitzpatrick, Ann E; Lincoln, Craig N; van Wilderen, Luuk J G W; van Thor, Jasper J

    2012-01-26

    The primary photoreactions of the red absorbing ground state (Pr) of the cyanobacterial phytochrome Cph1 from Synechocystis PCC 6803 involve C15═C16 Z-E photoisomerization of its phycocyanobilin chromophore. The first observable product intermediate in pump-probe measurements of the photocycle, "Lumi-R", is formed with picosecond kinetics and involves excited state decay reactions that have 3 and 14 ps time constants. Here, we have studied the photochemical formation of the Lumi-R intermediate using multipulse picosecond visible spectroscopy. Pump-dump-probe (PDP) and pump-repump-probe (PRP) experiments were carried out by employing two femtosecond visible pulses with 1, 14, and 160 ps delays, together with a broadband dispersive visible probe. The time delays between the two excitation pulses have been selected to allow interaction with the dominant (3 and 14 ps) kinetic phases of Lumi-R formation. The frequency dependence of the PDP and PRP amplitudes was investigated at 620, 640, 660, and 680 nm, covering excited state absorption (λ(max) = 620 nm), ground state absorption (λ(max) = 660 nm), and stimulated emission (λ(max) = 680 nm) cross sections. Experimental double difference transient absorbance signals (ΔΔOD), from the PDP and PRP measurements, required corrections to remove contributions from ground state repumping. The sensitivity of the resulting ΔΔOD signals was systematically investigated for possible connectivity schemes and photochemical parameters. When applying a homogeneous (sequentially decaying) connectivity scheme in both the 3 and 14 ps kinetic phases, evidence for repumping of an intermediate that has an electronic ground state configuration (GSI) is taken from the dump-induced S1 formation with 620, 640, and 660 nm wavelengths and 1 and 14 ps repump delays. Evidence for repumping a GSI is also seen, for the same excitation wavelengths, when imposing a target connectivity scheme proposed in the literature for the 1 ps repump delay. In

  1. NMR Crystallography of a Carbanionic Intermediate in Tryptophan Synthase: Chemical Structure, Tautomerization, and Reaction Specificity

    Science.gov (United States)

    2016-01-01

    Carbanionic intermediates play a central role in the catalytic transformations of amino acids performed by pyridoxal-5′-phosphate (PLP)-dependent enzymes. Here, we make use of NMR crystallography—the synergistic combination of solid-state nuclear magnetic resonance, X-ray crystallography, and computational chemistry—to interrogate a carbanionic/quinonoid intermediate analogue in the β-subunit active site of the PLP-requiring enzyme tryptophan synthase. The solid-state NMR chemical shifts of the PLP pyridine ring nitrogen and additional sites, coupled with first-principles computational models, allow a detailed model of protonation states for ionizable groups on the cofactor, substrates, and nearby catalytic residues to be established. Most significantly, we find that a deprotonated pyridine nitrogen on PLP precludes formation of a true quinonoid species and that there is an equilibrium between the phenolic and protonated Schiff base tautomeric forms of this intermediate. Natural bond orbital analysis indicates that the latter builds up negative charge at the substrate Cα and positive charge at C4′ of the cofactor, consistent with its role as the catalytic tautomer. These findings support the hypothesis that the specificity for β-elimination/replacement versus transamination is dictated in part by the protonation states of ionizable groups on PLP and the reacting substrates and underscore the essential role that NMR crystallography can play in characterizing both chemical structure and dynamics within functioning enzyme active sites. PMID:27779384

  2. The Roles of Structural Order and Intermolecular Interactions in Determining Ionization Energies and Charge-Transfer State Energies in Organic Semiconductors

    KAUST Repository

    Graham, Kenneth

    2016-08-17

    The energy landscape in organic semiconducting materials greatly influences charge and exciton behavior, which are both critical to the operation of organic electronic devices. These energy landscapes can change dramatically depending on the phases of material present, including pure phases of one molecule or polymer and mixed phases exhibiting different degrees of order and composition. In this work, ultraviolet photoelectron spectroscopy measurements of ionization energies (IEs) and external quantum efficiency measurements of charge-transfer (CT) state energies (ECT) are applied to molecular photovoltaic material systems to characterize energy landscapes. The results show that IEs and ECT values are highly dependent on structural order and phase composition. In the sexithiophene:C60 system both the IEs of sexithiophene and C60 shift by over 0.4 eV while ECT shifts by 0.5 eV depending on molecular composition. By contrast, in the rubrene:C60 system the IE of rubrene and C60 vary by ≤0.11 eV and ECT varies by ≤0.04 eV as the material composition varies. These results suggest that energy landscapes can exist whereby the binding energies of the CT states are overcome by energy offsets between charges in CT states in mixed regions and free charges in pure phases. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Local chiral potentials with Δ -intermediate states and the structure of light nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Piarulli, M.; Girlanda, L.; Schiavilla, R.; Kievsky, A.; Lovato, A.; Marcucci, L. E.; Pieper, Steven C.; Viviani, M.; Wiringa, R. B.

    2016-11-01

    We present fully local versions of the minimally non-local nucleon-nucleon potentials constructed in a previous paper [M.\\ Piarulli {\\it et al.}, Phys.\\ Rev.\\ C {\\bf 91}, 024003 (2015)], and use them in hypersperical-harmonics and quantum Monte Carlo calculations of ground and excited states of $^3$H/$^3$He, $^4$He, and $^6$He/$^6$Li nuclei. The long-range part of these local potentials includes one- and two-pion exchange contributions without and with $\\Delta$-isobars in the intermediate states up to order $Q^3$ ($Q$ denotes generically the low momentum scale) in the chiral expansion, while the short-range part consists of contact interactions up to order $Q^4$. The low-energy constants multiplying these contact interactions are fitted to the 2013 Granada database in two different ranges of laboratory energies, either 0--125 MeV or 0--200 MeV, and to the deuteron binding energy and $nn$ singlet scattering length. Fits to these data are performed for three models characterized by long- and short-range cutoffs, $R_{\\rm L}$ and $R_{\\rm S}$ respectively, ranging from $(R_{\\rm L},R_{\\rm S})=(1.2,0.8)$ fm down to $(0.8,0.6)$ fm. The long-range (short-range) cutoff regularizes the one- and two-pion exchange (contact) part of the potential.

  4. 34 CFR 200.17 - Intermediate goals.

    Science.gov (United States)

    2010-07-01

    ... 34 Education 1 2010-07-01 2010-07-01 false Intermediate goals. 200.17 Section 200.17 Education... Programs Operated by Local Educational Agencies Adequate Yearly Progress (ayp) § 200.17 Intermediate goals. Each State must establish intermediate goals that increase in equal increments over the period...

  5. The intermediate state in Patd

    African Journals Online (AJOL)

    The point of view taken in this paper is that the apostle Paul envisions, between death ..... 'building from God' (v 1,2) is the resurrection body of the believer; the ...... Baker. DE VOGEL, C J 1977. ReOexions on Philipp. I 23-24. NT 19, 262-74.

  6. An EMT spectrum defines an anoikis-resistant and spheroidogenic intermediate mesenchymal state that is sensitive to e-cadherin restoration by a src-kinase inhibitor, saracatinib (AZD0530)

    Science.gov (United States)

    Huang, R Y-J; Wong, M K; Tan, T Z; Kuay, K T; Ng, A H C; Chung, V Y; Chu, Y-S; Matsumura, N; Lai, H-C; Lee, Y F; Sim, W-J; Chai, C; Pietschmann, E; Mori, S; Low, J J H; Choolani, M; Thiery, J P

    2013-01-01

    The phenotypic transformation of well-differentiated epithelial carcinoma into a mesenchymal-like state provides cancer cells with the ability to disseminate locally and to metastasise. Different degrees of epithelial–mesenchymal transition (EMT) have been found to occur in carcinomas from breast, colon and ovarian carcinoma (OC), among others. Numerous studies have focused on bona fide epithelial and mesenchymal states but rarely on intermediate states. In this study, we describe a model system for appraising the spectrum of EMT using 43 well-characterised OC cell lines. Phenotypic EMT characterisation reveals four subgroups: Epithelial, Intermediate E, Intermediate M and Mesenchymal, which represent different epithelial–mesenchymal compositions along the EMT spectrum. In cell-based EMT-related functional studies, OC cells harbouring an Intermediate M phenotype are characterised by high N-cadherin and ZEB1 expression and low E-cadherin and ERBB3/HER3 expression and are more anoikis-resistant and spheroidogenic. A specific Src-kinase inhibitor, Saracatinib (AZD0530), restores E-cadherin expression in Intermediate M cells in in vitro and in vivo models and abrogates spheroidogenesis. We show how a 33-gene EMT Signature can sub-classify an OC cohort into four EMT States correlating with progression-free survival (PFS). We conclude that the characterisation of intermediate EMT states provides a new approach to better define EMT. The concept of the EMT Spectrum allows the utilisation of EMT genes as predictive markers and the design and application of therapeutic targets for reversing EMT in a selective subgroup of patients. PMID:24201814

  7. Resonance ionization spectroscopy of thorium isotopes - towards a laser spectroscopic identification of the low-lying 7.6 eV isomer of $^{229}$Th

    CERN Document Server

    Raeder, S; Wendt, K; Sonnenschein, V; Trautmann, N; Rothe, S; Reponen, M; Gottwald, T; 10.1088/0953-4075/44/16/165005

    2011-01-01

    In-source resonance ionization spectroscopy was used to identify an efficient and selective three step excitation/ionization scheme of thorium, suitable for titanium:sapphire (Ti:sa) lasers. The measurements were carried out in preparation of laser spectroscopic investigations for an identification of the low-lying Th-229m isomer predicted at 7.6 +- 0.5 eV above the nuclear ground state. Using a sample of Th-232, a multitude of optical transitions leading to over 20 previously unknown intermediate states of even parity as well as numerous high-lying odd parity auto-ionizing states were identified. Level energies were determined with an accuracy of 0.06 cm-1 for intermediate and 0.15 cm-1 for auto-ionizing states. Using different excitation pathways an assignment of total angular momenta for several energy levels was possible. One particularly efficient ionization scheme of thorium, exhibiting saturation in all three optical transitions, was studied in detail. For all three levels in this scheme, the isotope s...

  8. [Electron transfer, ionization, and excitation in atomic collisions]. Progress report

    Energy Technology Data Exchange (ETDEWEB)

    1992-12-31

    Fundamental processes of electron transfer, ionization, and excitation in ion-atom and ion-ion collisions are studied. Attention is focussed on one- and two-electron systems and, more recently, quasi-one-electron systems whose electron-target-ion core can be accurately modeled by one-electron potentials. The basic computational approaches can then be taken with few, if any, approximations, and the underlying collisional mechanisms can be more clearly revealed. At intermediate collision energies (e.g., proton energies for p-He{sup +} collisions on the order of 100 kilo-electron volts), many electronic states are strongly coupled during the collision, a coupled-state approach, such as a coupled-Sturmian-pseudostate approach, is appropriate. At higher collision energies (million electron-volt energies) the coupling is weaker with, however, many more states being coupled together, so that high-order perturbation theory is essential.

  9. Wavelength dependent photoelectron circular dichroism of limonene studied by femtosecond multiphoton laser ionization and electron-ion coincidence imaging

    Science.gov (United States)

    Rafiee Fanood, Mohammad M.; Janssen, Maurice H. M.; Powis, Ivan

    2016-09-01

    Enantiomers of the monoterpene limonene have been investigated by (2 + 1) resonance enhanced multiphoton ionization and photoelectron circular dichroism employing tuneable, circularly polarized femtosecond laser pulses. Electron imaging detection provides 3D momentum measurement while electron-ion coincidence detection can be used to mass-tag individual electrons. Additional filtering, by accepting only parent ion tagged electrons, can be then used to provide discrimination against higher energy dissociative ionization mechanisms where more than three photons are absorbed to better delineate the two photon resonant, one photon ionization pathway. The promotion of different vibrational levels and, tentatively, different electronic ion core configurations in the intermediate Rydberg states can be achieved with different laser excitation wavelengths (420 nm, 412 nm, and 392 nm), in turn producing different state distributions in the resulting cations. Strong chiral asymmetries in the lab frame photoelectron angular distributions are quantified, and a comparison made with a single photon (synchrotron radiation) measurement at an equivalent photon energy.

  10. Multi-state observations of the Galactic Black Hole XTE J1752-223: Evidence for an intermediate black hole spin

    CERN Document Server

    Reis, R C; Fabian, A C; Cackett, E M; Maitra, D; Reynolds, C S; Rupen, M; Steeghs, D T H; Wijnands, R

    2010-01-01

    The Galactic Black hole candidate XTE J1752-223 was observed during the decay of its 2009 outburst with the Suzaku and XMM-Newton observatories. The observed spectra are consistent with the source being in the ''intermediate`` and ''low-hard state`` respectively. The presence of a strong, relativistic iron emission line is clearly detected in both observations and the line profiles are found to be remarkably consistent and robust to a variety of continuum models. This strongly points to the compact object in \\j\\ being a stellar-mass black hole accretor and not a neutron star. Physically-motivated and self-consistent reflection models for the Fe-\\ka\\ emission-line profile and disk reflection spectrum rule out either a non-rotating, Schwarzchild black hole or a maximally rotating, Kerr black hole at greater than 3sigma level of confidence. Using a fully relativistic line function in which the black hole spin parameter is a variable, we have formally constrained the spin parameter to be $0.52\\pm0.11 (1\\sigma)$. ...

  11. Supercritical fluid chromatography and steady-state recycling: phase appropriate technologies for the resolutions of pharmaceutical intermediates in the early drug development stage.

    Science.gov (United States)

    Yan, Tony Q; Orihuela, Carlos; Preston, Jay P; Xia, Fang

    2010-11-01

    The use of phase appropriate technologies is critical for efficiently moving drug candidates forward in the early stages of drug discovery and development. Phase appropriate purification technology develops the analytical method and subsequently scales up the method and turns the sample around quickly (Kennedy et al., J Chromatogr A 2004; 1046:55). In this article, separation results and conditions from supercritical fluid chromatography (SFC), high-performance liquid chromatography (HPLC), and steady-state recycling (SSR) for the resolutions of three pharmaceutical intermediates in the early stage of the drug development are discussed. The first study used SFC and SSR to separate an impurity for a Good Manufacturing Practice (GMP) campaign. The analytical method development and scale-up conditions are discussed. Productivity, solvent usage, and sample solubility under SFC and SSR conditions are also compared. The second study compared SFC to batch HPLC in separating a diastereomer. Due to higher separation efficiency, SFC was able to resolute multiple peaks. The third study involved the addition of dichloromethane as a co-solvent in SFC purification--improving sample selectivity and solubility. From the separation results of these purifications, SFC and SSR are clearly phase appropriate technologies in the early drug development stage.

  12. Equation of state of fully ionized electron-ion plasmas. II. Extension to relativistic densities and to the solid phase

    CERN Document Server

    Potekhin, A Yu

    2000-01-01

    The analytic equation of state of nonideal Coulomb plasmas consisting of pointlike ions immersed in a polarizable electron background (physics/9807042) is improved, and its applicability range is considerably extended. First, the fit of the electron screening contribution in the free energy of the Coulomb liquid is refined at high densities where the electrons are relativistic. Second, we calculate the screening contribution for the Coulomb solid (bcc and fcc) and derive an analytic fitting expression. Third, we propose a simple approximation to the internal and free energy of the liquid one-component plasma of ions, accurate within the numerical errors of the most recent Monte Carlo simulations. We obtain an updated value of the coupling parameter at the solid-liquid phase transition for the one-component plasma: Gamma_m = 175.0 (+/- 0.4).

  13. Fixation of three-dimensional states of deformation in polymers by ionizing radiation - III. Experimental results and implementation

    Energy Technology Data Exchange (ETDEWEB)

    Schaudy, R.; Wendrinsky, J.; Beer, R.J.; Eberhardsteiner, J

    1998-06-01

    Photoelastic investigations using transparent polymeric materials are still a potential tool in mechanical engineering, in civil engineering and more recently in biomechanics. They allow the analysis of deformations or stresses even in complex three-dimensional bodies. In order to extend the application of such plastic models at ambient temperature it was necessary to improve the fixation of deformations in the loaded state. This could be realized by the study and proper modification of some radiation-curable polymer systems (Schaudy et al., 1995, 1996). The experimental results reveal a broad variety of properties due to the type of the polymer system and to the degree of crosslinking caused by the radiation dose applied. Simple spatial models are as well discussed as the industrial and scientific implementation of the new materials.

  14. Ion-Pair States in Triplet Molecular Hydrogen

    Science.gov (United States)

    Setzer, W.; Baker, B. C.; Ashman, S.; Morgan, T. J.

    2016-05-01

    An experimental search is underway to observe the long range triplet ionic states H+ H- of molecular hydrogen. Resonantly enhanced multi-photon ionization of the metastable c 3∏u- 2 pπ state is used access to the R(1)nd1 n = 21 Rydberg state that serves as an intermediate stepping stone state to probe the energy region above the ionization limit with a second tunable laser photon. The metastable state is prepared by electron capture of 6 keV H2+ions in potassium in a molecular beam. Formation of the H+ H- triplet configuration involves triplet excited states of the H- ion, especially the 2p23Pe state, the second bound state of H- predicted to exist with a lifetime long compared to typical auto ionization lifetimes but not yet observed experimentally. Details of the experiment and preliminary results to date will be presented at the conference.

  15. Effect of immobilization support, water activity, and enzyme ionization state on cutinase activity and enantioselectivity in organic media.

    Science.gov (United States)

    Vidinha, Pedro; Harper, Neil; Micaelo, Nuno M; Lourenco, Nuno M T; da Silva, Marco D R Gomes; Cabral, Joaquim M S; Afonso, Carlos A M; Soares, Claudio M; Barreiros, Susana

    2004-02-20

    We studied the reaction between vinyl butyrate and 2-phenyl-1-propanol in acetonitrile catalyzed by Fusarium solani pisi cutinase immobilized on zeolites NaA and NaY and on Accurel PA-6. The choice of 2-phenyl-1-propanol was based on modeling studies that suggested moderate cutinase enantioselectivity towards this substrate. With all the supports, initial rates of transesterification were higher at a water activity (a(w)) of 0.2 than at a(w) = 0.7, and the reverse was true for initial rates of hydrolysis. By providing acid-base control in the medium through the use of solid-state buffers that control the parameter pH-pNa, which we monitored using an organo-soluble chromoionophoric indicator, we were able, in some cases, to completely eliminate dissolved butyric acid. However, none of the buffers used were able to improve the rates of transesterification relative to the blanks (no added buffer) when the enzyme was immobilized at an optimum pH of 8.5. When the enzyme was immobilized at pH 5 and exhibited only marginal activity, however, even a relatively acidic buffer with a pK(a) of 4.3 was able to restore catalytic activity to about 20% of that displayed for a pH of immobilization of 8.5, at otherwise identical conditions. As a(w) was increased from 0.2 to 0.7, rates of transesterification first increased slightly and then decreased. Rates of hydrolysis showed a steady increase in that a(w) range, and so did total initial reaction rates. The presence or absence of the buffers did not impact on the competition between transesterification and hydrolysis, regardless of whether the butyric acid formed remained as such in the reaction medium or was eliminated from the microenvironment of the enzyme through conversion into an insoluble salt. Cutinase enantioselectivity towards 2-phenyl-1-propanol was indeed low and was not affected by differences in immobilization support, enzyme protonation state, or a(w).

  16. Ground Levels and Ionization Energies for the Neutral Atoms

    Science.gov (United States)

    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.

  17. Multiphoton inner-shell ionization of the carbon atom

    CERN Document Server

    Rey, H F

    2015-01-01

    We apply time-dependent R-matrix theory to study inner-shell ionization of C atoms in ultra-short high-frequency light fields with a photon energy between 170 and 245 eV. At an intensity of 10$^{17}$ W/cm$^2$, ionization is dominated by single-photon emission of a $2\\ell$ electron, with two-photon emission of a 1s electron accounting for about 2-3\\% of all emission processes, and two-photon emission of $2\\ell$ contributing about 0.5-1\\%. Three-photon emission of a 1s electron is estimated to contribute about 0.01-0.03\\%. Around a photon energy of 225 eV, two-photon emission of a 1s electron, leaving C$^+$ in either 1s2s2p$^3$ or 1s2p$^4$ is resonantly enhanced by intermediate 1s2s$^2$2p$^3$ states. The results demonstrate the capability of time-dependent R-matrix theory to describe inner-shell ionization processes including rearrangement of the outer electrons.

  18. Matrix-assisted ionization vacuum for high-resolution Fourier transform ion cyclotron resonance mass spectrometers.

    Science.gov (United States)

    Wang, Beixi; Tisdale, Evgenia; Trimpin, Sarah; Wilkins, Charles L

    2014-07-15

    Matrix-assisted ionization vacuum (MAIV) produces charge states similar to electrospray ionization (ESI) from the solid state without requiring high voltage or added heat. MAIV differs from matrix-assisted laser desorption/ionization (MALDI) in that no laser is needed and abundant multiply charged ions are produced from molecules having multiple basic sites such as proteins. Here we introduce simple modifications to the commercial vacuum MALDI and ESI sources of a 9.4 T Fourier transform-ion cyclotron resonance (FT-ICR) mass spectrometer to perform MAIV from both intermediate and atmospheric pressure. The multiply charged ions are shown for the proteins bovine insulin, ubiquitin, and lysozyme using 3-nitrobenzonitrile as matrix. These are the first examples of MAIV operating at pressures as low as 10(-6) mbar in an FT-ICR mass spectrometer source, and the expected mass resolving power of 100000 to 400000 is achieved. Identical protein charge states are observed with and without laser ablation indicating minimal, if any, role of photochemical ionization for the compounds studied.

  19. Formulation and implementation of a unitary group adapted state universal multi-reference coupled cluster (UGA-SUMRCC) theory: excited and ionized state energies.

    Science.gov (United States)

    Sen, Sangita; Shee, Avijit; Mukherjee, Debashis

    2012-08-21

    The traditional state universal multi-reference coupled cluster (SUMRCC) theory uses the Jeziorski-Monkhorst (JM) based Ansatz of the wave operator: Ω = Σ(μ)Ω(μ)|φ(μ)>function φ(μ). In the first formulations, φ(μ)s were chosen to be single determinants and T(μ)s were defined in terms of spinorbitals. This leads to spin-contamination for the non-singlet cases. In this paper, we propose and implement an explicitly spin-free realization of the SUMRCC theory. This method uses spin-free unitary generators in defining the cluster operators, {T(μ)}, which even at singles-doubles truncation, generates non-commuting cluster operators. We propose the use of normal-ordered exponential parameterization for Ω:Σ(μ){exp(T(μ))}|φ(μ)>functions {φ(μ)} as unitary group adapted (UGA) Gel'fand states which is why we call our theory UGA-SUMRCC. In the spirit of the original SUMRCC, we choose exactly the right number of linearly independent cluster operators in {T(μ)} such that no redundancies in the virtual functions {χ(μ)(l)} are involved. Using example applications for electron detached/attached and h-p excited states relative to a closed shell ground state we discuss how to choose the most compact and non-redundant cluster operators. Although there exists a more elaborate spin-adapted JM-like ansatz of Datta and Mukherjee (known as combinatoric open-shell CC (COS-CC), its working equations are more complex. Results are compared with those from COS-CC, equation of motion coupled cluster methods, restricted open-shell Hartree-Fock coupled cluster, and full configuration interaction. We observe that our results are more accurate with respect to most other theories as a result of the use of the cluster expansion structure for our wave operator. Our results are comparable to those from the more involved COS-CC, indicating that our theory captures the most important aspects of physics with a considerably simpler scheme.

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

    Science.gov (United States)

    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.

  1. Charge Transfer and Ionization by Intermediate-Energy Heavy Ions

    Energy Technology Data Exchange (ETDEWEB)

    Toburen, L. H. [East Carolina University; McLawhorn, S. L. [East Carolina University; McLawhorn, R. A. [East Carolina University; Evans, N. L. [East Carolina University; Justiniano, E. L. B. [East Carolina University; Shinpaugh, J. L. [East Carolina University; Schultz, David Robert [ORNL; Reinhold, Carlos O [ORNL

    2006-11-01

    The use of heavy ion beams for microbeam studies of mammalian cell response leads to a need to better understand interaction cross sections for collisions of heavy ions with tissue constituents. For ion energies of a few MeV u-1 or less, ions capture electrons from the media in which they travel and undergo subsequent interactions as partially 'dressed' ions. For example, 16 MeV fluorine ions have an equilibrium charge of 7+, 32 MeV sulphur ions have an equilibrium charge of approx. 11+, and as the ion energies decrease the equilibrium charge decreases dramatically. Data for interactions of partially dressed ions are extremely rare, making it difficult to estimate microscopic patterns of energy deposition leading to damage to cellular components. Such estimates, normally obtained by Monte Carlo track structure simulations, require a comprehensive database of differential and total ionisation cross sections as well as charge transfer cross sections. To provide information for track simulation, measurement of total ionisation cross sections have been initiated at East Carolina University using the recoil ion time-of-flight method that also yields cross sections for multiple ionisation processes and charge transfer cross sections; multiple ionisation is prevalent for heavy ion interactions. In addition, measurements of differential ionisation cross sections needed for Monte Carlo simulation of detailed event-by-event particle tracks are under way. Differential, total and multiple ionisation cross sections and electron capture and loss cross sections measured for C+ ions with energies of 100 and 200 keV u-1 are described.

  2. Intermediate states on the way to edge-sharing BO4 tetrahedra in M6B22O39·H2O (M=Fe, Co).

    Science.gov (United States)

    Neumair, Stephanie C; Knyrim, Johanna S; Oeckler, Oliver; Glaum, Robert; Kaindl, Reinhard; Stalder, Roland; Huppertz, Hubert

    2010-12-10

    The new borates Fe(II)(6)B(22)O(39)·H(2)O (colourless) and Co(II)(6)B(22)O(39)·H(2)O (dichroic: red/bluish) were synthesised under the high-pressure/high-temperature conditions of 6 GPa and 880 °C (Fe)/950 °C (Co) in a Walker-type multi-anvil apparatus. The compounds crystallise in the orthorhombic space group Pmn2(1) (Z=2) with the lattice parameters a=771.9(2), b=823.4(2), c=1768.0(4) pm, V=1.1237(4) nm(3), R(1)=0.0476, wR(2)=0.0902 (all data) for Fe(6)B(22)O(39)·H(2)O and a=770.1(2), b=817.6(2), c=1746.9(4) pm, V=1.0999(4) nm(3), R(1)=0.0513, wR(2)=0.0939 (all data) for Co(6)B(22)O(39)·H(2)O. The new structure type of M(6)B(22)O(39)·H(2)O (M=Fe, Co) is built up from corner-sharing BO(4) tetrahedra and BO(3) groups, the latter being distorted and close to BO(4) tetrahedra if additional oxygen atoms of the neighbouring BO(4) tetrahedra are considered in the coordination sphere. This situation can be regarded as an intermediate state in the formation of edge-sharing tetrahedra. The structure consists of corrugated multiple layers interconnected by BO(3)/BO(4) groups to form Z-shaped channels. Inside these channels, iron and cobalt show octahedral (M1, M3, M4, M5) and strongly distorted tetrahedral (M2, M6) coordination by oxygen atoms. Co(II)(6)B(22)O(39)·H(2)O is dichroic and the low symmetry of the chromophore [Co(II)O(4)] is reflected by the polarised absorption spectra (Δ(t)=4650 cm(-1), B=878 cm(-1)).

  3. Electron transfer, ionization, and excitation in atomic collisions. Progress report, June 15, 1989--June 14, 1992

    Energy Technology Data Exchange (ETDEWEB)

    Winter, T.G.; Alston, S.G.

    1992-08-01

    The research being carried out at Penn State by Winter and Alston addresses the fundamental processes of electron transfer, ionization, and excitation in ion-atom (and ion-ion) collisions. The focus is on intermediate- and higher-energy collisions, corresponding to proton energies of about 25 kilo-electron-volts (keV) or larger. At intermediate energies, where the transition probabilities are not small, many states must be coupled in a large calculation, while at higher energies, perturbative approaches may be used. Several studies have been carried out in the current three-year period; most of these treat systems with only one or two electrons, so that fewer approximations need be made and the basic collisional mechanisms can be more clearly described.

  4. Improved efficiency of selective photoionization of palladium isotopes via autoionizing Rydberg states

    Science.gov (United States)

    Locke, Clayton R.; Kobayashi, Tohru; Midorikawa, Katsumi

    2017-01-01

    Odd-mass-selective ionization of palladium for purposes of resource recycling and management of long-lived fission products can be achieved by exploiting transition selection rules in a well-established three-step excitation process. In this conventional scheme, circularly polarized lasers of the same handedness excite isotopes via two intermediate 2D5/2 core states, and a third laser is then used for ionization via autoionizing Rydberg states. We propose an alternative excitation scheme via intermediate 2D3/2 core states before the autoionizing Rydberg state, improving ionization efficiency by over 130 times. We confirm high selectivity and measure odd-mass isotopes of >99.7(3)% of the total ionized product. We have identified and measured the relative ionization efficiency of the series of Rydberg states that converge to upper ionization limit of the 4 d 9(2D3/2) level, and identify the most efficient excitation is via the Rydberg state at 67668.18(10) cm-1.

  5. The design of double electrostatic-lens optics for resonance enhanced multiphoton ionization and photoelectron imaging experiments

    Energy Technology Data Exchange (ETDEWEB)

    Qu, Zehua; Li, Chunsheng; Qin, Zhengbo, E-mail: wave0403@163.com, E-mail: xfzheng@mail.ahnu.edu.cn; Zheng, Xianfeng, E-mail: wave0403@163.com, E-mail: xfzheng@mail.ahnu.edu.cn; Yao, Guanxin; Zhang, Xianyi; Cui, Zhifeng [Institute of Atomic and Molecular Physics, Anhui Normal University, Wuhu, Anhui 241000 (China)

    2015-06-15

    Compared to single ion/electron-optics for velocity-map imaging, a double-focusing lens assembly designed not only allows for mapping velocity imaging of photoelectrons but also allows for investigating the vibrational structure of the intermediate states of neutral species in resonance enhanced multiphoton ionization (REMPI) spectra. In this presentation, in order to record REMPI and photoelectron spectra separately, we have constructed a compact photoelectron velocity-map imaging (VMI) apparatus combined with an opposite linear Wiley-Mclaren time-of-flight mass spectrometer (TOFMS). A mass resolution (m/Δm) of ∼1300 for TOFMS and electron energy resolution (ΔE/E) of 2.4% for VMI have been achieved upon three-photon ionization of Xe atom at 258.00 nm laser wavelength. As a benchmark, in combination of one-color (1 + 1) REMPI and photoelectron imaging of benzene via 6{sup 1} and 6{sup 1}1{sup 1} vibronic levels in the S{sub 1} state, the vibrational structures of the cation and photoelectron angular anisotropy are unraveled. In addition, two-color (1 + 1′) REMPI and photoelectron imaging of aniline was used to complete the accurate measurement of ionization potential (62 271 ± 3 cm{sup −1}). The results suggest that the apparatus is a powerful tool for studying photoionization dynamics in the photoelectron imaging using vibrational-state selected excitation to the intermediate states of neutrals based on REMPI technique.

  6. Progress in the experimental observation of thiamin diphosphate-bound intermediates on enzymes and mechanistic information derived from these observations.

    Science.gov (United States)

    Jordan, Frank; Nemeria, Natalia S

    2014-12-01

    Thiamin diphosphate (ThDP), the vitamin B1 coenzyme is an excellent representative of coenzymes, which carry out electrophilic catalysis by forming a covalent complex with their substrates. The function of ThDP is to greatly increase the acidity of two carbon acids by stabilizing their conjugate bases, the ylide/carbene/C2-carbanion of the thiazolium ring and the C2α-carbanion/enamine, once the substrate binds to ThDP. In recent years, several ThDP-bound intermediates on such pathways have been characterized by both solution and solid-state methods. Prominent among these advances are X-ray crystallographic results identifying both oxidative and non-oxidative intermediates, rapid chemical quench followed by NMR detection of several intermediates which are stable under acidic conditions, solid-state NMR and circular dichroism detection of the states of ionization and tautomerization of the 4'-aminopyrimidine moiety of ThDP in some of the intermediates. These methods also enabled in some cases determination of the rate-limiting step in the complex series of steps. This review is an update of a review with the same title published by the authors in 2005 in this Journal. Much progress has been made in the intervening decade in the identification of the intermediates and their application to gain additional mechanistic insight.

  7. Resonance ionization detection of combustion radicals

    Energy Technology Data Exchange (ETDEWEB)

    Cool, T.A. [Cornell Univ., Ithaca, NY (United States)

    1993-12-01

    Fundamental research on the combustion of halogenated organic compounds with emphasis on reaction pathways leading to the formation of chlorinated aromatic compounds and the development of continuous emission monitoring methods will assist in DOE efforts in the management and disposal of hazardous chemical wastes. Selective laser ionization techniques are used in this laboratory for the measurement of concentration profiles of radical intermediates in the combustion of chlorinated hydrocarbon flames. A new ultrasensitive detection technique, made possible with the advent of tunable VUV laser sources, enables the selective near-threshold photoionization of all radical intermediates in premixed hydrocarbon and chlorinated hydrocarbon flames.

  8. The 2 1Ag state of isolated cis-trans-1,3,5,7-octatetraene: two-color resonance enhanced two-photon ionization studies

    NARCIS (Netherlands)

    B.E. Kohler; T. Shaler; W.J. Buma

    1992-01-01

    Vibrationally resolved 1 1Ag2 1Ag excitation spectra and decay times for cis,trans-1,3,5,7-octatetraene seeded in a supersonic He expansion have been measured by two-color resonance enhanced two-photon ionization spectroscopy. The excitation energy of the 1 1Ag2 1Ag 0-0 band (29 035 cm-1 ) is ~6500

  9. Tunneling ionization of vibrationally excited nitrogen molecules

    Science.gov (United States)

    Kornev, Aleksei S.; Zon, Boris A.

    2015-09-01

    Ionization of molecular nitrogen plays an important role in the process of light-filament formation in air. In the present paper we theoretically investigated tunneling ionization of the valence 3 σg and 1 πu shells in a N2 molecule using a strong near-infrared laser field. This research is based on our previously proposed theory of anti-Stokes-enhanced tunneling ionization with quantum accounting for the vibrationally excited states of the molecules [A. S. Kornev and B. A. Zon, Phys. Rev. A 86, 043401 (2012), 10.1103/PhysRevA.86.043401]. We demonstrated that if the N2 molecule is ionized from the ground vibrational state, then the contribution of the 1 πu orbital is 0.5%. In contrast, for vibrationally excited states with a certain angle between the light polarization vector and the molecule axis, both shells can compete and even reverse their contributions due to the anti-Stokes mechanism. The structure constants of molecular orbitals are extracted from numerical solutions to the Hartree-Fock equations. This approach correctly takes into account the exchange interaction. Quantum consideration of vibrational motion results in the occurrence of the critical vibrational state, the tunneling ionization from which has the maximum rate. The numbers of the critical vibrational states are different for different valence shells. In addition, quantum description of vibrations changes the rate of ionization from the ground vibrational state by 20%-40% in comparison with the quasiclassical results.

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

  11. Influence of initial state distortion in ion-atom collisions

    Energy Technology Data Exchange (ETDEWEB)

    Ciappina, M F [CONICET and Departamento de FIsica, Universidad Nacional del Sur, 8000 BahIa Blanca (Argentina); Cravero, W R [CONICET and Departamento de FIsica, Universidad Nacional del Sur, 8000 BahIa Blanca (Argentina); Garibotti, C R [CONICET and Division Colisiones Atomicas, Centro Atomico Bariloche, 8400 Bariloche (Argentina)

    2004-05-28

    We have studied the influence of initial state distortion in a single ionization by ion impact. We have taken a continuum distorted wave type distortion and by taking up to the first order in its asymptotic series expansion we build an eikonal-spherical distortion. In this way the influence of each term in the transition amplitude can be stated. This approximation can be considered an intermediate one between the eikonal initial state and the continuum distorted wave approaches for initial state distortion. We have computed doubly differential cross sections for helium ionization by protons and highly charged ions at high and intermediate impact energy. We have also discussed the contribution of the different terms in electron energy spectra, specially in the vicinity of ECC peak. Very good agreement is found with the available experimental data.

  12. Laserspray ionization imaging of multiply charged ions using a commercial vacuum MALDI ion source.

    Science.gov (United States)

    Inutan, Ellen D; Wager-Miller, James; Mackie, Ken; Trimpin, Sarah

    2012-11-06

    This is the first report of imaging mass spectrometry (MS) from multiply charged ions at vacuum. Laserspray ionization (LSI) was recently extended to applications at vacuum producing electrospray ionization-like multiply charged ions directly from surfaces using a commercial intermediate pressure matrix-assisted laser desorption/ionization ion mobility spectrometry (IMS) MS instrument. Here, we developed a strategy to image multiply charged peptide ions. This is achieved by the use of 2-nitrophloroglucinol as matrix for spray deposition onto the tissue section and implementation of "soft" acquisition conditions including lower laser power and ion accelerating voltages similar to electrospray ionization-like conditions. Sufficient ion abundance is generated by the vacuum LSI method to employ IMS separation in imaging multiply charged ions obtained on a commercial mass spectrometer ion source without physical instrument modifications using the laser in the commercially available reflection geometry alignment. IMS gas-phase separation reduces the complexity of the ion signal from the tissue, especially for multiply charged relative to abundant singly charged ions from tissue lipids. We show examples of LSI tissue imaging from charge state +2 of three endogenous peptides consisting of between 1 and 16 amino acid residues from the acetylated N-terminal end of myelin basic protein: mass-to-charge (m/z) 795.81 (+2) molecular weight (MW) 1589.6, m/z 831.35 (+2) MW 1660.7, and m/z 917.40 (+2) MW 1832.8.

  13. Reversed phase liquid chromatography hyphenated to continuous flow-extractive desorption electrospray ionization-mass spectrometry for analysis and charge state manipulation of undigested proteins.

    Science.gov (United States)

    Li, Li; Yang, Samuel H; Vidova, Veronika; Rice, Elisa M; Wijeratne, Aruna B; Havlíček, Vladimír; Schug, Kevin A

    2015-01-01

    The application of continuous flow-extractive desorption electrospray ionization (CF-EDESI), an ambient ionization source demonstrated previously for use with intact protein analysis, is expanded here for the coupling of reversed phase protein separations to mass spectrometry. This configuration allows the introduction of charging additives to enhance detection without affecting the chromatographic separation mechanism. Two demonstrations of the advantages of CF-EDESI are presented in this work. First, a proof-of- principle is presented to demonstrate the applicability of hyphenation of liquid chromatography (LC) to CF- EDESI. LC-CF-EDESI-MS has good sensitivity compared to LC-electrospray ionization (ESI)-mass spectrometry. Second, the supercharging mechanism investigated in CF-EDESI provides an insight into a highly debated supercharging process in ESI. The results indicate that the mechanism of protein charging seen in HPLC-CF-EDESI is different from supercharging phenomena in conventional ESI. The surface tension mechanism and binding mechanism may both contribute to protein supercharging in ESI.

  14. Vacuum Ultraviolet Laser Photoion and Pulsed Field Ionization-Photoion Study of Rydberg Series of Chlorine Atoms Prepared in the 2PJ (J = 3/2 and 1/2) Fine-structure States

    Science.gov (United States)

    Yang, Lei; Gao, Hong; Zhou, Jingang; Ng, C. Y.

    2015-09-01

    We have measured the high-resolution vacuum ultraviolet (VUV) photoion (VUV-PI) and VUV pulsed-field ionization-photoion (VUV-PFI-PI) spectra of chlorine atoms (Cl) in the VUV energy range 103,580-105,600 cm-1 (12.842-13.093 eV) using a tunable VUV laser as the photoexcitation and photoionization source. Here, Cl atoms are prepared in the Cl(2P3/2) and Cl(2P1/2) fine-structure states by 193.3 nm laser photodissociation of chlorobenzene. The employment of VUV-PFI-PI detection has allowed the identification of Rydberg transitions that are not observed in VUV-PI measurements. More than 180 new Rydberg transition lines with principal quantum number up to n = 61 have been identified and assigned to members of nine Rydberg series originating from the neutral Cl(2P3/2) and Cl(2P1/2) fine-structure states. Two of these Rydberg series are found to converge to the Cl+(3P2), four to the Cl+(3P1), and three to the Cl+(3P0) ionization limits. Based on the convergence limits determined by least-squares fits of the observed Rydberg transitions to the modified Ritz formula, we have obtained a more precise ionization energy (IE) for the formation of the ionic Cl+(3P2) from the ground Cl(2P3/2) state to be 104,591.01 ± 0.13 cm-1. This is consistent with previous IE measurements, but has a smaller uncertainty. The analysis of the quantum defects obtained for the Rydberg transitions reveals that many high-n Rydberg transitions are perturbed.

  15. Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold

    Science.gov (United States)

    Casida, Mark E.; Jamorski, Christine; Casida, Kim C.; Salahub, Dennis R.

    1998-03-01

    This paper presents an evaluation of the performance of time-dependent density-functional response theory (TD-DFRT) for the calculation of high-lying bound electronic excitation energies of molecules. TD-DFRT excitation energies are reported for a large number of states for each of four molecules: N2, CO, CH2O, and C2H4. In contrast to the good results obtained for low-lying states within the time-dependent local density approximation (TDLDA), there is a marked deterioration of the results for high-lying bound states. This is manifested as a collapse of the states above the TDLDA ionization threshold, which is at -ɛHOMOLDA (the negative of the highest occupied molecular orbital energy in the LDA). The -ɛHOMOLDA is much lower than the true ionization potential because the LDA exchange-correlation potential has the wrong asymptotic behavior. For this reason, the excitation energies were also calculated using the asymptotically correct potential of van Leeuwen and Baerends (LB94) in the self-consistent field step. This was found to correct the collapse of the high-lying states that was observed with the LDA. Nevertheless, further improvement of the functional is desirable. For low-lying states the asymptotic behavior of the exchange-correlation potential is not critical and the LDA potential does remarkably well. We propose criteria delineating for which states the TDLDA can be expected to be used without serious impact from the incorrect asymptotic behavior of the LDA potential.

  16. Sanitary surveillance of ionizing radiations use in health services in Sao Paulo State, Brazil; O controle sanitario do uso das radiacoes ionizantes em servicos de saude no Estado de Sao Paulo

    Energy Technology Data Exchange (ETDEWEB)

    Aldred, Martha Aurelia; Eduardo, Maria Bernardete de Paula; Goncalves Junior, Nelson [Secretaria de Estado da Saude de Sao Paulo, SP (Brazil). Centro de Vigilancia Sanitaria

    1997-12-31

    An evaluation of the Sanitarian Surveillance actions developed at Sao Paulo State, Brazil, concerning the control of ionizing radiation is presented. Aspects such as technical standards, inspection forms, assessment and quality assurance programs, in the fields of medical and dental radiology, radiotherapy and nuclear medicine are discussed. A program is also introduced for sample monitoring of these instruments. A set of protocol with criteria to be used in quality assurance programs, including equipment and procedures is presented. Participation of several societies of specialists and consumer defense organizations in the elaboration of technical regulations has contributed to concrete adoption by health care services 19 refs.

  17. 离化态原子基态电子结构特征与轨道竞争规律∗%Characteristics of ground state electronic structures of ionized atoms and rules of their orbital comp etitions

    Institute of Scientific and Technical Information of China (English)

    金锐; 高翔; 曾德灵; 顾春; 岳现房; 李家明

    2016-01-01

    ) Furthermore, with Dirac-Slater method we can ob-tain the localized self-consistent potential, thereby we can study the orbital competition rules for different atoms. Using the three of our designed atomic orbital competition graphs, all of our calculated ground configurations for over 7000 ionized atoms are conveniently expressed. We systematically summarize the rules of orbital competitions for different elements in different periods. We elucidate the mechanism of orbital competition (i.e., orbital collapsing) with the help of self-consistent atomic potential of ionized atoms. Also we compare the orbital competition rules for different periods of transition elements, the rare-earth and transuranium elements with the variation of the self-consistent filed for different periods. On this basis, we summarize the relationship between the orbital competitions and some bulk properties forsome elements, such as the superconductivity, the optical properties, the mechanical strength, and the chemistry activ-ities. We find that there exist some “abnormal” orbital competitions for some lowly ionized and neutral atoms which may lead to the unique bulk properties for the element. With the ground state electronic structures of ionized atoms, we can construct the basis of accurate quasi-complete configuration interaction (CI) calculations, and further accurately calculate the physical quantities like the energy levels, transition rates, collision cross section, etc. Therefore we can meet the requirements of scientific researches such as the analysis of high-power free-electron laser experiments and the accurate measurement of the mass of nuclei.%离化态原子广泛存在于等离子体物质中,其相关性质是天体物理、受控核聚变等前沿科学研究领域的重要基础。基于独立电子近似,本文系统研究了扩展周期表元素(26 Z 6119)所有中性和离化态原子的基态电子结构。基于设计的原子轨道竞争图,系统总结了各周期

  18. Bacterial intermediate filaments

    DEFF Research Database (Denmark)

    Charbon, Godefroid; Cabeen, M.; Jacobs-Wagner, C.

    2009-01-01

    Crescentin, which is the founding member of a rapidly growing family of bacterial cytoskeletal proteins, was previously proposed to resemble eukaryotic intermediate filament (IF) proteins based on structural prediction and in vitro polymerization properties. Here, we demonstrate that crescentin...

  19. Intermediate algebra & analytic geometry

    CERN Document Server

    Gondin, William R

    1967-01-01

    Intermediate Algebra & Analytic Geometry Made Simple focuses on the principles, processes, calculations, and methodologies involved in intermediate algebra and analytic geometry. The publication first offers information on linear equations in two unknowns and variables, functions, and graphs. Discussions focus on graphic interpretations, explicit and implicit functions, first quadrant graphs, variables and functions, determinate and indeterminate systems, independent and dependent equations, and defective and redundant systems. The text then examines quadratic equations in one variable, system

  20. Intermediate algebra a textworkbook

    CERN Document Server

    McKeague, Charles P

    1985-01-01

    Intermediate Algebra: A Text/Workbook, Second Edition focuses on the principles, operations, and approaches involved in intermediate algebra. The publication first takes a look at basic properties and definitions, first-degree equations and inequalities, and exponents and polynomials. Discussions focus on properties of exponents, polynomials, sums, and differences, multiplication of polynomials, inequalities involving absolute value, word problems, first-degree inequalities, real numbers, opposites, reciprocals, and absolute value, and addition and subtraction of real numbers. The text then ex

  1. Sea state observation in island-sheltered nearshore zone based on in situ intermediate-water wave measurements and NCEP/CFSR wind data

    Digital Repository Service at National Institute of Oceanography (India)

    Dora, G.U.; SanilKumar, V.

    In this study, wind-seas, swells, and the coastal wind pattern are examined to interpret the temporal diversity of the sea state in the island-sheltered nearshore zone off Karwar on the west coast of India. The sea state is analyzed based on the sea...

  2. Photofragment imaging study of the CH2CCH2OH radical intermediate of the OH +allene reaction

    Science.gov (United States)

    Raman, Arjun S.; Justine Bell, M.; Lau, Kai-Chung; Butler, Laurie J.

    2007-10-01

    These velocity map imaging experiments characterize the photolytic generation of one of the two radical intermediates formed when OH reacts via an addition mechanism with allene. The CH2CCH2OH radical intermediate is generated photolytically from the photodissociation of 2-chloro-2-propen-1-ol at 193nm. Detecting the Cl atoms using [2+1] resonance-enhanced multiphoton ionization evidences an isotropic angular distribution for the Cl +CH2CCH2OH photofragments, a spin-orbit branching ratio for Cl(P1/22):Cl(P3/22) of 0.28, and a bimodal recoil kinetic energy distribution. Conservation of momentum and energy allows us to determine from this data the internal energy distribution of the nascent CH2CCH2OH radical cofragment. To assess the possible subsequent decomposition pathways of this highly vibrationally excited radical intermediate, we include electronic structure calculations at the G3//B3LYP level of theory. They predict the isomerization and dissociation transition states en route from the initial CH2CCH2OH radical intermediate to the three most important product channels for the OH +allene reaction expected from this radical intermediate: formaldehyde+C2H3, H +acrolein, and ethene+CHO. We also calculate the intermediates and transition states en route from the other radical adduct, formed by addition of the OH to the center carbon of allene, to the ketene+CH3 product channel. We compare our results to a previous theoretical study of the O +allyl reaction conducted at the CBS-QB3 level of theory, as the two reactions include several common intermediates.

  3. Biological Effects of Ionizing Radiation

    Science.gov (United States)

    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.

  4. High-Temperature Ionization in Protoplanetary Disks

    CERN Document Server

    Desch, Steven J

    2015-01-01

    We calculate the abundances of electrons and ions in the hot (> 500 K), dusty parts of protoplanetary disks, treating for the first time the effects of thermionic and ion emission from the dust grains. High-temperature ionization modeling has involved simply assuming that alkali elements such as potassium occur as gas-phase atoms and are collisionally ionized following the Saha equation. We show that the Saha equation often does not hold, because free charges are produced by thermionic and ion emission and destroyed when they stick to grain surfaces. This means the ionization state depends not on the first ionization potential of the alkali atoms, but rather on the grains' work functions. The charged species' abundances typically rise abruptly above about 800 K, with little qualitative dependence on the work function, gas density, or dust-to-gas mass ratio. Applying our results, we find that protoplanetary disks' dead zone, where high diffusivities stifle magnetorotational turbulence, has its inner edge locat...

  5. Clusters in Intense XUV pulses: effects of cluster size on expansion dynamics and ionization

    CERN Document Server

    Ackad, Edward; Briggs, Kyle; Ramunno, Lora

    2010-01-01

    We examine the effect of cluster size on the interaction of Ar$_{55}$-Ar$_{2057}$ with intense extreme ultraviolet (XUV) pulses, using a model we developed earlier that includes ionization via collisional excitation as an intermediate step. We find that the dynamics of these irradiated clusters is dominated by collisions. Larger clusters are more highly collisional, produce higher charge states, and do so more rapidly than smaller clusters. Higher charge states produced via collisions are found to reduce the overall photon absorption, since charge states of Ar$^{2+}$ and higher are no longer photo-accessible. We call this mechanism \\textit{collisionally reduced photoabsorption}, and it decreases the effective cluster photoabsorption cross-section by more than 30% for Ar$_{55}$ and 45% Ar$_{2057}$. compared to gas targets with the same number of atoms. An investigation of the shell structure soon after the laser interaction shows an almost uniformly charged core with a modestly charged outer shell which evolve...

  6. Abnormal ionization in sonoluminescence

    Science.gov (United States)

    Zhang, Wen-Juan; An, Yu

    2015-04-01

    Sonoluminescence is a complex phenomenon, the mechanism of which remains unclear. The present study reveals that an abnormal ionization process is likely to be present in the sonoluminescing bubble. To fit the experimental data of previous studies, we assume that the ionization energies of the molecules and atoms in the bubble decrease as the gas density increases and that the decrease of the ionization energy reaches about 60%-70% as the bubble flashes, which is difficult to explain by using previous models. Project supported by the Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20120002110031) and the National Natural Science Foundation of China (Grant No. 11334005).

  7. CD40 signaling drives B lymphocytes into an intermediate memory-like state, poised between naïve and plasma cells.

    Science.gov (United States)

    Upadhyay, Mala; Priya, G Krishna; Ramesh, P; Madhavi, M B; Rath, Satyajit; Bal, Vineeta; George, Anna; Vaidya, Tushar

    2014-10-01

    Immunological memory comprising of antigen-specific B and T cells contributes to the acquisition of long-term resistance to pathogens. Interactions between CD40 on B cells and CD40L on T cells are responsible for several aspects of acquired immune responses including generation of memory B cells. In order to gain insights into events leading to memory B cell formation, we analyzed the genome-wide expression profile of murine naive B cells stimulated in the presence of anti-CD40. We have identified over 8,000 genes whose expression is altered minimally 1.5-fold at least at one time point over a 3-day time course. The array analysis indicates that changes in expression level of maximum number of these genes occur within 24 h of anti-CD40 treatment. In parallel, we have studied the events following CD40 ligation by examining the expression of known regulators of naive B cell to plasma cell transition, including Pax5 and BLIMP1. The expression profile of these regulatory genes indicates firstly, that CD40 signaling activates naïve B cells to a phenotype that is intermediate between the naive and plasma cell stages of the B cell differentiation. Secondly, the major known regulator of plasma cell differentiation, BLIMP1, gets irreversibly downregulated upon anti-CD40 treatment. Additionally, our data reveal that CD40 signaling mediated BLIMP1 downregulation occurs by non-Pax5/non-Bcl6 dependent mechanisms, indicating novel mechanisms at work that add to the complexity of understanding of B cell master regulatory molecules like BLIMP1 and Pax5.

  8. Experimental radiative lifetimes for highly excited states and calculated oscillator strengths for lines of astrophysical interest in singly ionized cobalt (Co II)

    Science.gov (United States)

    Quinet, P.; Fivet, V.; Palmeri, P.; Engström, L.; Hartman, H.; Lundberg, H.; Nilsson, H.

    2016-11-01

    This work reports new experimental radiative lifetimes and calculated oscillator strengths for transitions of astrophysical interest in singly ionized cobalt. More precisely, 19 radiative lifetimes in Co+ have been measured with the time-resolved laser-induced fluorescence technique using one- and two-step excitations. Out of these, seven belonging to the high lying 3d7(4F)4d configuration in the energy range 90 697-93 738 cm-1 are new, and the other 12 from the 3d7(4F)4p configuration with energies between 45 972 and 49 328 cm-1 are compared with previous measurements. In addition, a relativistic Hartree-Fock model including core-polarization effects has been employed to compute transition rates. Supported by the good agreement between theory and experiment for the lifetimes, new reliable transition probabilities and oscillator strengths have been deduced for 5080 Co II transitions in the spectral range 114-8744 nm.

  9. Multiwavelength Observations and State Transitions of an Ultra-luminous Supersoft X-ray Source: Evidence for an Intermediate-Mass Black Hole

    CERN Document Server

    Kong, A K H; Sjouwerman, L O; Di Stefano, R

    2005-01-01

    We report the results of Chandra and XMM-Newton observations of an ultra-luminous supersoft X-ray source in M101. M101 ULX-1 underwent 2 outbursts in 2004 during which the peak bolometric luminosities reached 1e41 erg/s. The outburst spectra were very soft and can generally be fitted with a blackbody model with temperatures of 50-160 eV. In two of the observations, absorption edges at 0.33 keV, 0.56 keV, 0.66 keV, and 0.88 keV were found. A cool accretion disk was also found in the 2004 December outburst. During the low luminosity state, a power-law tail was seen up to 7 keV. It is clear the source changed from a low/hard state to a high/soft state. In addition, it showed at least 5 outbursts between 1996 and 2004. This is the first ultra-luminous X-ray source for which recurrent outbursts with state transitions similar to Galactic X-ray binaries have been observed. From the Hubble Space Telescope data, we found an optical counterpart to the source. During the 2004 outbursts, we also performed radio and groun...

  10. Cord blood mesenchymal stem cells propel human dendritic cells to an intermediate maturation state and boost interleukin-12 production by mature dendritic cells.

    NARCIS (Netherlands)

    Berk, L.C.J. van den; Roelofs, H.; Huijs, T.; Siebers-Vermeulen, K.G.C.; Raymakers, R.A.P.; Kogler, G.; Figdor, C.G.; Torensma, R.

    2009-01-01

    Pathogen-derived entities force the tissue-resident dendritic cells (DCs) towards a mature state, followed by migration to the draining lymph node to present antigens to T cells. Bone marrow mesenchymal stem cells (MSCs) modulate the differentiation, maturation and function of DCs. In umbilical cord

  11. Mobile communication and intermediality

    DEFF Research Database (Denmark)

    Helles, Rasmus

    2013-01-01

    The article argues the importance of intermediality as a concept for research in mobile communication and media. The constant availability of several, partially overlapping channels for communication (texting, calls, email, Facebook, etc.) requires that we adopt an integrated view of the various...... communicative affordances of mobile devices in order to understand how people choose between them for different purposes. It is argued that mobile communication makes intermediality especially central, as the choice of medium is detached from the location of stationary media and begins to follow the user across...

  12. Calculation of the Aqueous Thermodynamic Properties of Citric Acid Cycle Intermediates and Precursors and the Estimation of High Temperature and Pressure Equation of State Parameters

    OpenAIRE

    Mitchell Schulte; Peter Dalla-Betta

    2009-01-01

    The citric acid cycle (CAC) is the central pathway of energy transfer for many organisms, and understanding the origin of this pathway may provide insight into the origins of metabolism. In order to assess the thermodynamics of this key pathway for microorganisms that inhabit a wide variety of environments, especially those found in high temperature environments, we have calculated the properties and parameters for the revised Helgeson-Kirkham-Flowers equation of state for the major component...

  13. EVIDENCE OF VERY LOW METALLICITY AND HIGH IONIZATION STATE IN A STRONGLY LENSED, STAR-FORMING DWARF GALAXY AT z = 3.417

    Energy Technology Data Exchange (ETDEWEB)

    Amorín, R.; Grazian, A.; Castellano, M.; Pentericci, L.; Fontana, A.; Sommariva, V.; Merlin, E. [INAF—Osservatorio Astronomico di Roma, via Frascati 33, I-00040 Monteporzio Catone, Roma (Italy); Van der Wel, A.; Maseda, M., E-mail: ricardo.amorin@oa-roma.inaf.it [Max-Planck-Institut für Astronomie, Königstuhl 17, D-69117 Heidelberg (Germany)

    2014-06-10

    We investigate the gas-phase metallicity and Lyman continuum (LyC) escape fraction of a strongly gravitationally lensed, extreme emission-line galaxy at z = 3.417, J1000+0221S, recently discovered by the CANDELS team. We derive ionization- and metallicity-sensitive emission-line ratios from H+K band Large Binocular Telescope (LBT)/LUCI medium resolution spectroscopy. J1000+0221S shows high ionization conditions, as evidenced by its enhanced [O III]/[O II] and [O III]/Hβ ratios. Strong-line methods based on the available line ratios suggest that J1000+0221S is an extremely metal-poor galaxy, with a metallicity of 12+log (O/H) < 7.44 (Z < 0.05 Z {sub ☉}), placing it among the most metal-poor star-forming galaxies at z ≳ 3 discovered so far. In combination with its low stellar mass (2 × 10{sup 8} M {sub ☉}) and high star formation rate (5 M {sub ☉} yr{sup –1}), the metallicity of J1000+0221S is consistent with the extrapolation of the mass-metallicity relation traced by Lyman-break galaxies at z ≳ 3 to low masses, but it is 0.55 dex lower than predicted by the fundamental metallicity relation at z ≲ 2.5. These observations suggest a rapidly growing galaxy, possibly fed by massive accretion of pristine gas. Additionally, deep LBT/LBC photometry in the UGR bands are used to derive a limit to the LyC escape fraction, thus allowing us to explore for the first time the regime of sub-L* galaxies at z > 3. We find a 1σ upper limit to the escape fraction of 23%, which adds a new observational constraint to recent theoretical models predicting that sub-L* galaxies at high-z have high escape fractions and thus are the responsible for the reionization of the universe.

  14. MATERIALS FOR INTERMEDIATE TELUGU.

    Science.gov (United States)

    KELLEY, GERALD B.

    ONE OF THE FOUR DRAVIDIAN LANGUAGES RECOGNIZED BY THE INDIAN CONSTITUTION OF 1950 AS OFFICIAL LANGUAGES OF THE COUNTRY, TELUGU IS SPOKEN BY 42 MILLION PEOPLE IN ANDHRA PRADESH. THESE INSTRUCTIONAL MATERIALS ARE DESIGNED FOR THE INTERMEDIATE STUDENT OF TELUGU AND ARE DIVIDED INTO NEWSPAPER READINGS AND DIALOGUES OF EVERYDAY CONVERSATION. SUBJECTS…

  15. Study of the 18. 30 and 19. 40 MeV states in /sup 12/C in intermediate energy proton scattering

    Energy Technology Data Exchange (ETDEWEB)

    Jones, K.W.; Glashausser, C.; Nanda, S.; Swiniarski, R. de (Rutgers - the State Univ., New Brunswick, NJ (USA)); Carey, T.A.; Cornelius, W.; Moss, J.M.; McClelland, J.B.; Seestrom-Morris, S.J. (Los Alamos National Lab., NM (USA)); Comfort, J.R. (Arizona State Univ., Tempe (USA))

    1983-09-01

    Angular distributions of the cross section and analyzing power have been measured for proton inelastic scattering from /sup 12/C at 398, 597, and 698 MeV. Angular distributions of the spin-flip probability have been measured at 398 MeV. Comparison of these data with DWIA calculations strongly suggests 2/sup -/ (T = 0) and 2/sup -/ (T = 1) assignments to states at 18.30 and 19.40 MeV, respectively; their wave functions are well described by recent calculations of Millener.

  16. Calculation of the aqueous thermodynamic properties of citric acid cycle intermediates and precursors and the estimation of high temperature and pressure equation of state parameters.

    Science.gov (United States)

    Dalla-Betta, Peter; Schulte, Mitchell

    2009-06-22

    The citric acid cycle (CAC) is the central pathway of energy transfer for many organisms, and understanding the origin of this pathway may provide insight into the origins of metabolism. In order to assess the thermodynamics of this key pathway for microorganisms that inhabit a wide variety of environments, especially those found in high temperature environments, we have calculated the properties and parameters for the revised Helgeson-Kirkham-Flowers equation of state for the major components of the CAC. While a significant amount of data is not available for many of the constituents of this fundamental pathway, methods exist that allow estimation of these missing data.

  17. Calculation of the Aqueous Thermodynamic Properties of Citric Acid Cycle Intermediates and Precursors and the Estimation of High Temperature and Pressure Equation of State Parameters

    Directory of Open Access Journals (Sweden)

    Mitchell Schulte

    2009-06-01

    Full Text Available The citric acid cycle (CAC is the central pathway of energy transfer for many organisms, and understanding the origin of this pathway may provide insight into the origins of metabolism. In order to assess the thermodynamics of this key pathway for microorganisms that inhabit a wide variety of environments, especially those found in high temperature environments, we have calculated the properties and parameters for the revised Helgeson-Kirkham-Flowers equation of state for the major components of the CAC. While a significant amount of data is not available for many of the constituents of this fundamental pathway, methods exist that allow estimation of these missing data.

  18. Structure Characterization of the Folding Intermediates of Proteins

    Institute of Scientific and Technical Information of China (English)

    1999-01-01

    Although the native state and the fully unfolded state of proteins have been extensively studied, the folding pathway and intermediates in the protein folding process have not been thoroughly investigated.To understand the mechanisms of protein folding, the early intermediates in the protein folding process must be clearly characterized.The present paper is a mini review containing 20 references involving studies on folding intermediates of several proteins.

  19. Simplifying biochemical models with intermediate species

    DEFF Research Database (Denmark)

    Feliu, Elisenda; Wiuf, Carsten

    2013-01-01

    canonical model that characterizes crucial dynamical properties, such as mono- and multistationarity and stability of steady states, of all models in the class. We show that if the core model does not have conservation laws, then the introduction of intermediates does not change the steady...... techniques, we study systematically the effects of intermediate, or transient, species in biochemical systems and provide a simple, yet rigorous mathematical classification of all models obtained from a core model by including intermediates. Main examples include enzymatic and post-translational modification...... systems, where intermediates often are considered insignificant and neglected in a model, or they are not included because we are unaware of their existence. All possible models obtained from the core model are classified into a finite number of classes. Each class is defined by a mathematically simple...

  20. Ionic rotational branching ratios in resonant enhanced multiphoton ionization of NO via the A2Sigma(+)(3s sigma) and D2Sigma(+)(3p sigma) states

    Science.gov (United States)

    Rudolph, H.; McKoy, V.; Dixit, S. N.; Huo, W. M.

    1988-01-01

    Results are presented for the rotationally resolved photoelectron spectra resulting from a (2 + 1) one-color resonant enhanced multiphoton ionization (REMPI) of NO via the rotationally clean S21(11.5) and mixed S11(15.5) + R21(15.5) branches of the 0-0 transition in the D-X band. The calculations were done in the fixed-nuclei frozen core approximation. The resulting photoionization spectra, convoluted with a Lorentzian detection function, agree qualitatively with experimental results of Viswanathan et al. (1986) and support their conclusion that the nonspherical nature of the molecular potential creates a substantial l-mixing in the continuum, which in turn leads to the intense Delta N = 0 peak. The rather strong photoelectron energy dependence of the rotational branching ratios of the D 2Sigma(+) S21(11.5) line was investigated and compared to the weak energy dependence of the A 2Sigma(+) R22(21.5) line.

  1. Experimental radiative lifetimes for highly excited states and calculated oscillator strengths for lines of astrophysical interest in singly ionized cobalt (Co II)

    CERN Document Server

    Quinet, P; Palmeri, P; Engstrom, L; Hartman, H; Lundberg, H; Nilsson, H

    2016-01-01

    This work reports new experimental radiative lifetimes and calculated oscillator strengths for transitions of astrophysical interest in singly ionized cobalt. More pre- cisely, nineteen radiative lifetimes in Co+ have been measured with the time-resolved laser-induced fluorescence technique using one- and two-step excitations. Out of these, seven belonging to the high lying 3d$^7$($^4$F)4d configuration in the energy range 90697 - 93738 cm$^{-1}$ are new, and the other twelve from th3d$^7$($^4$F)F)4p configuration with energies between 45972 and 49328 cm$^{-1}$1 are compared with previous measurements. In addition, a relativistic Hartree-Fock model including core-polarization e?ects has been employed to compute transition rates. Supported by the good agreement between theory and experiment for the lifetimes, new reliable transition probabilities and os- cillator strengths have been deduced for 5080 Co II transitions in the spectral range 114 - 8744 nm.

  2. Synthesis, structure, and properties of LaSr{sub 3}Fe{sub -x}Ga{sub x}O{sub 10-{delta}}: An intermediate Fe{sup 3+} spin state

    Energy Technology Data Exchange (ETDEWEB)

    Shankar, R.; Steinfink, H. [Univ. of Texas, Austin, TX (United States)

    1996-03-01

    The solid solubility of Ga in this solid solution extends to x=2. A phase change occurs near the composition x = 1 from tetragonal to orthohombic. A Rietveld X-ray powder diffraction structure determination of LaSr{sub 3}FeGa{sub 2}O{sub 9} indicates that Fe occupies the central octahedral interstice in the triple octahedral layer. Oxygen vacancies are present in the equatorial positions of the central octahedron and in the bridging oxygen positions. The phase change is driven by the increase of the c/a ratio of the tetragonal phase. The phases are antiferromagnets with Neel temperatures of 45 K for the tetragonal phases that go to zero for the orthorhombic phase. The effective magnetic moment for the tetragonal phase is 6 {mu}{sub B} for high spin Fe{sup 3+}. An intermediate spin state of 4 {mu}{sub B} is observed for the orthorhombic phase indicative of three unpaired electrons.

  3. On the Origin of the Elliptic Flow and its Dependence on the Equation of State in Heavy Ion Reactions at Intermediate Energies

    CERN Document Server

    Fevre, A Le; Hartnack, C; Aichelin, J

    2016-01-01

    Recently it has been discovered that the rapidity dependence of the elliptic flow, $v_2$, of charged particles shows the strongest sensitivity to the Nuclear Equation of State (EoS) which has been observed within a microscopic model. This dependence on the nuclear EoS is predicted by Quantum Molecular Dynamics (QMD) calculations \\cite{Fevre:2015fza} which show as well that the absorption or rescattering of in-plane emitted particles by the spectator matter is not the main reason for the EoS dependence of the elliptic flow at mid-rapidity.The reason are different density gradients (and therefore different forces) in the direction of the impact parameter (x-direction) as compared to the direction perpendicular to the reaction plan (y-direction), due to the presence of the spectator matter. The stronger density gradient in y-direction accelerates the particles more and creates therefore a negative $v_2$.

  4. Investigation of structure, dynamics and function of metalloproteins with electrospray ionization mass spectrometry.

    Science.gov (United States)

    Kaltashov, Igor A; Zhang, Mingxuan; Eyles, Stephen J; Abzalimov, Rinat R

    2006-10-01

    Electrospray ionization mass spectrometry (ESI MS) has emerged recently as a powerful tool for analyzing many structural and behavioral aspects of metalloproteins in great detail. In this review we discuss recent developments in the field, placing particular emphasis on the unique features of ESI MS that lend themselves to metalloprotein characterization at a variety of levels. Direct mass measurement enables the determination of protein-metal ion binding stoichiometry in solution and metalloprotein higher order structure in the case of multi-subunit proteins. MS techniques have been developed for determining the locations of metal-binding centers, metal oxidation states and reaction intermediates of metal-containing enzymes. Other ESI MS techniques are also discussed, such as protein ion charge state distributions and hydrogen/deuterium exchange studies, which can be used to measure metal binding affinities and to shed light on vital dynamic aspects of the functional properties of metalloproteins endowed by metal binding.

  5. Nanosecond multiphoton ionization spectroscopy of transition-metal sandwich compounds: a comparative study of nickelocene, ferrocene and bis(η-benzene)chromium

    Science.gov (United States)

    Ketkov, Sergey Yu.; Selzle, Heinrich L.; Schlag, Edward W.

    Efficient multiphoton ionization of nickelocene, ferrocene and bis(η6-benzene)chromium was achieved on excitation of jet-cooled sandwich molecules with nanosecond pulses of dye lasers via an intermediate low-lying Rydberg 4px,y level. One-colour photoionization mass spectra revealing solely molecular ion signals were obtained. The signal intensity increases significantly when an intense pulse of a second dye laser is used for ionization of the Rydberg-state molecules. Two-colour resonance-enhanced multiphoton ionization spectra of Cp2Fe (Cp = η5-C5H5) and Bz2Cr (Bz = η6-C6H6) show vibronic structures of the a1g(3dz2) → e1u(R4px,y) transition. The metal-ligand symmetric stretch ν4 wavenumbers for the Rydberg-state molecules are 310 and 263 cm-1, respectively. Multiphoton mass-analysed threshold ionization (MATI) signals appear for Bz2Cr when the TMPH1749math001 ν4 wavenumber for the ground-state Bz2Cr+ cation is 262 cm-1 as determined from the MATI spectrum. The influence of electronic structure on the photoionization behaviour of the sandwich molecules is discussed.

  6. The Intermediate Neutrino Program

    Energy Technology Data Exchange (ETDEWEB)

    Adams, C.; et al.

    2015-03-23

    The US neutrino community gathered at the Workshop on the Intermediate Neutrino Program (WINP) at Brookhaven National Laboratory February 4-6, 2015 to explore opportunities in neutrino physics over the next five to ten years. Scientists from particle, astroparticle and nuclear physics participated in the workshop. The workshop examined promising opportunities for neutrino physics in the intermediate term, including possible new small to mid-scale experiments, US contributions to large experiments, upgrades to existing experiments, R&D plans and theory. The workshop was organized into two sets of parallel working group sessions, divided by physics topics and technology. Physics working groups covered topics on Sterile Neutrinos, Neutrino Mixing, Neutrino Interactions, Neutrino Properties and Astrophysical Neutrinos. Technology sessions were organized into Theory, Short-Baseline Accelerator Neutrinos, Reactor Neutrinos, Detector R&D and Source, Cyclotron and Meson Decay at Rest sessions.This report summarizes discussion and conclusions from the workshop.

  7. The Intermediate Neutrino Program

    CERN Document Server

    Adams, C.; Ankowski, A.M.; Asaadi, J.A.; Ashenfelter, J.; Axani, S.N.; Babu, K.; Backhouse, C.; Band, H.R.; Barbeau, P.S.; Barros, N.; Bernstein, A.; Betancourt, M.; Bishai, M.; Blucher, E.; Bouffard, J.; Bowden, N.; Brice, S.; Bryan, C.; Camilleri, L.; Cao, J.; Carlson, J.; Carr, R.E.; Chatterjee, A.; Chen, M.; Chen, S.; Chiu, M.; Church, E.D.; Collar, J.I.; Collin, G.; Conrad, J.M.; Convery, M.R.; Cooper, R.L.; Cowen, D.; Davoudiasl, H.; de Gouvea, A.; Dean, D.J.; Deichert, G.; Descamps, F.; DeYoung, T.; Diwan, M.V.; Djurcic, Z.; Dolinski, M.J.; Dolph, J.; Donnelly, B.; Dwyer, D.A.; Dytman, S.; Efremenko, Y.; Everett, L.L.; Fava, A.; Figueroa-Feliciano, E.; Fleming, B.; Friedland, A.; Fujikawa, B.K.; Gaisser, T.K.; Galeazzi, M.; Galehouse, D.C.; Galindo-Uribarri, A.; Garvey, G.T.; Gautam, S.; Gilje, K.E.; Gonzalez-Garcia, M.; Goodman, M.C.; Gordon, H.; Gramellini, E.; Green, M.P.; Guglielmi, A.; Hackenburg, R.W.; Hackenburg, A.; Halzen, F.; Han, K.; Hans, S.; Harris, D.; Heeger, K.M.; Herman, M.; Hill, R.; Holin, A.; Huber, P.; Jaffe, D.E.; Johnson, R.A.; Joshi, J.; Karagiorgi, G.; Kaufman, L.J.; Kayser, B.; Kettell, S.H.; Kirby, B.J.; Klein, J.R.; Kolomensky, Yu. G.; Kriske, R.M.; Lane, C.E.; Langford, T.J.; Lankford, A.; Lau, K.; Learned, J.G.; Ling, J.; Link, J.M.; Lissauer, D.; Littenberg, L.; Littlejohn, B.R.; Lockwitz, S.; Lokajicek, M.; Louis, W.C.; Luk, K.; Lykken, J.; Marciano, W.J.; Maricic, J.; Markoff, D.M.; Martinez Caicedo, D.A.; Mauger, C.; Mavrokoridis, K.; McCluskey, E.; McKeen, D.; McKeown, R.; Mills, G.; Mocioiu, I.; Monreal, B.; Mooney, M.R.; Morfin, J.G.; Mumm, P.; Napolitano, J.; Neilson, R.; Nelson, J.K.; Nessi, M.; Norcini, D.; Nova, F.; Nygren, D.R.; Orebi Gann, G.D.; Palamara, O.; Parsa, Z.; Patterson, R.; Paul, P.; Pocar, A.; Qian, X.; Raaf, J.L.; Rameika, R.; Ranucci, G.; Ray, H.; Reyna, D.; Rich, G.C.; Rodrigues, P.; Romero, E.Romero; Rosero, R.; Rountree, S.D.; Rybolt, B.; Sanchez, M.C.; Santucci, G.; Schmitz, D.; Scholberg, K.; Seckel, D.; Shaevitz, M.; Shrock, R.; Smy, M.B.; Soderberg, M.; Sonzogni, A.; Sousa, A.B.; Spitz, J.; St. John, J.M.; Stewart, J.; Strait, J.B.; Sullivan, G.; Svoboda, R.; Szelc, A.M.; Tayloe, R.; Thomson, M.A.; Toups, M.; Vacheret, A.; Vagins, M.; Van de Water, R.G.; Vogelaar, R.B.; Weber, M.; Weng, W.; Wetstein, M.; White, C.; White, B.R.; Whitehead, L.; Whittington, D.W.; Wilking, M.J.; Wilson, R.J.; Wilson, P.; Winklehner, D.; Winn, D.R.; Worcester, E.; Yang, L.; Yeh, M.; Yokley, Z.W.; Yoo, J.; Yu, B.; Yu, J.; Zhang, C.

    2015-01-01

    The US neutrino community gathered at the Workshop on the Intermediate Neutrino Program (WINP) at Brookhaven National Laboratory February 4-6, 2015 to explore opportunities in neutrino physics over the next five to ten years. Scientists from particle, astroparticle and nuclear physics participated in the workshop. The workshop examined promising opportunities for neutrino physics in the intermediate term, including possible new small to mid-scale experiments, US contributions to large experiments, upgrades to existing experiments, R&D plans and theory. The workshop was organized into two sets of parallel working group sessions, divided by physics topics and technology. Physics working groups covered topics on Sterile Neutrinos, Neutrino Mixing, Neutrino Interactions, Neutrino Properties and Astrophysical Neutrinos. Technology sessions were organized into Theory, Short-Baseline Accelerator Neutrinos, Reactor Neutrinos, Detector R&D and Source, Cyclotron and Meson Decay at Rest sessions.This report summ...

  8. The Intermediate Neutrino Program

    CERN Document Server

    Adams, C; Ankowski, A M; Asaadi, J A; Ashenfelter, J; Axani, S N; Babu, K; Backhouse, C; Band, H R; Barbeau, P S; Barros, N; Bernstein, A; Betancourt, M; Bishai, M; Blucher, E; Bouffard, J; Bowden, N; Brice, S; Bryan, C; Camilleri, L; Cao, J; Carlson, J; Carr, R E; Chatterjee, A; Chen, M; Chen, S; Chiu, M; Church, E D; Collar, J I; Collin, G; Conrad, J M; Convery, M R; Cooper, R L; Cowen, D; Davoudiasl, H; De Gouvea, A; Dean, D J; Deichert, G; Descamps, F; DeYoung, T; Diwan, M V; Djurcic, Z; Dolinski, M J; Dolph, J; Donnelly, B; Dwyer, D A; Dytman, S; Efremenko, Y; Everett, L L; Fava, A; Figueroa-Feliciano, E; Fleming, B; Friedland, A; Fujikawa, B K; Gaisser, T K; Galeazzi, M; Galehouse, D C; Galindo-Uribarri, A; Garvey, G T; Gautam, S; Gilje, K E; Gonzalez-Garcia, M; Goodman, M C; Gordon, H; Gramellini, E; Green, M P; Guglielmi, A; Hackenburg, R W; Hackenburg, A; Halzen, F; Han, K; Hans, S; Harris, D; Heeger, K M; Herman, M; Hill, R; Holin, A; Huber, P; Jaffe, D E; Johnson, R A; Joshi, J; Karagiorgi, G; Kaufman, L J; Kayser, B; Kettell, S H; Kirby, B J; Klein, J R; Kolomensky, Yu G; Kriske, R M; Lane, C E; Langford, T J; Lankford, A; Lau, K; Learned, J G; Ling, J; Link, J M; Lissauer, D; Littenberg, L; Littlejohn, B R; Lockwitz, S; Lokajicek, M; Louis, W C; Luk, K; Lykken, J; Marciano, W J; Maricic, J; Markoff, D M; Caicedo, D A Martinez; Mauger, C; Mavrokoridis, K; McCluskey, E; McKeen, D; McKeown, R; Mills, G; Mocioiu, I; Monreal, B; Mooney, M R; Morfin, J G; Mumm, P; Napolitano, J; Neilson, R; Nelson, J K; Nessi, M; Norcini, D; Nova, F; Nygren, D R; Gann, G D Orebi; Palamara, O; Parsa, Z; Patterson, R; Paul, P; Pocar, A; Qian, X; Raaf, J L; Rameika, R; Ranucci, G; Ray, H; Reyna, D; Rich, G C; Rodrigues, P; Romero, E Romero; Rosero, R; Rountree, S D; Rybolt, B; Sanchez, M C; Santucci, G; Schmitz, D; Scholberg, K; Seckel, D; Shaevitz, M; Shrock, R; Smy, M B; Soderberg, M; Sonzogni, A; Sousa, A B; Spitz, J; John, J M St; Stewart, J; Strait, J B; Sullivan, G; Svoboda, R; Szelc, A M; Tayloe, R; Thomson, M A; Toups, M; Vacheret, A; Vagins, M; Van de Water, R G; Vogelaar, R B; Weber, M; Weng, W; Wetstein, M; White, C; White, B R; Whitehead, L; Whittington, D W; Wilking, M J; Wilson, R J; Wilson, P; Winklehner, D; Winn, D R; Worcester, E; Yang, L; Yeh, M; Yokley, Z W; Yoo, J; Yu, B; Yu, J; Zhang, C

    2015-01-01

    The US neutrino community gathered at the Workshop on the Intermediate Neutrino Program (WINP) at Brookhaven National Laboratory February 4-6, 2015 to explore opportunities in neutrino physics over the next five to ten years. Scientists from particle, astroparticle and nuclear physics participated in the workshop. The workshop examined promising opportunities for neutrino physics in the intermediate term, including possible new small to mid-scale experiments, US contributions to large experiments, upgrades to existing experiments, R&D plans and theory. The workshop was organized into two sets of parallel working group sessions, divided by physics topics and technology. Physics working groups covered topics on Sterile Neutrinos, Neutrino Mixing, Neutrino Interactions, Neutrino Properties and Astrophysical Neutrinos. Technology sessions were organized into Theory, Short-Baseline Accelerator Neutrinos, Reactor Neutrinos, Detector R&D and Source, Cyclotron and Meson Decay at Rest sessions.This report summ...

  9. Exclusive diffractive production of π+π-π+π- via the intermediate σ σ and ρ ρ states in proton-proton collisions within tensor Pomeron approach

    Science.gov (United States)

    Lebiedowicz, Piotr; Nachtmann, Otto; Szczurek, Antoni

    2016-08-01

    We present first predictions of the cross sections and differential distributions for the central exclusive reaction p p →p p π+π-π+π- being studied at RHIC and LHC. The amplitudes for the processes are formulated in terms of the tensor Pomeron and tensor f2 R Reggeon exchanges with the vertices respecting the standard crossing and charge-conjugation relations of quantum field theory. The σ σ and ρ ρ contributions to the π+π-π+π- final state are considered, focusing on their specificities. The correct inclusion of the Pomeron spin structure seems crucial for the considered sequential mechanisms, in particular for the ρ ρ contribution which is treated here for the first time. The mechanism considered gives a significant contribution to the p p →p p π+π-π+π- reaction. We adjust parameters of our model to the CERN-ISR experimental data and present several predictions for the STAR, ALICE, ATLAS, and CMS experiments. A measurable cross section of order of a few μ b is obtained, including the experimental cuts relevant for the LHC experiments. We show the influence of the experimental cuts on the integrated cross section and on various differential distributions.

  10. Cord blood mesenchymal stem cells propel human dendritic cells to an intermediate maturation state and boost interleukin-12 production by mature dendritic cells.

    Science.gov (United States)

    van den Berk, Lieke C J; Roelofs, Helene; Huijs, Tonnie; Siebers-Vermeulen, Kim G C; Raymakers, Reinier A; Kögler, Gesine; Figdor, Carl G; Torensma, Ruurd

    2009-12-01

    Pathogen-derived entities force the tissue-resident dendritic cells (DCs) towards a mature state, followed by migration to the draining lymph node to present antigens to T cells. Bone marrow mesenchymal stem cells (MSCs) modulate the differentiation, maturation and function of DCs. In umbilical cord blood an immature MSC population was identified. Remarkably, these immature stem cells modulated DCs in a different way. Marker expression was unchanged during the differentiation of monocytes towards immature DCs (iDCs) when cocultured with cord blood MSC [unrestricted somatic stem cells (USSCs)]. The maturation to mature DCs (mDCs) was enhanced when DCs were co-cultured with USSC, as evidenced by the up-regulation of costimulatory molecules. Endocytosis of dextran by iDCs was hampered in the presence of USSCs, which is indicative for the maturation of iDCs. Despite this maturation, the migration of iDCs cocultured with USSCs appeared to be identical to iDCs cultured alone. However, USSCs increased the migration of mDCs towards CCL21 and boosted interleukin-12 production. So, USSCs mature iDCs, thereby redirecting the antigen-uptake phenotype towards a mature phenotype. Furthermore, DC maturation by lipopolysaccharide (LPS) or USSCs reflects two distinct pathways because migration was unaffected when iDCs were matured by coculture with USSCs, while it was strongly enhanced in the presence of LPS. DCs are able to discriminate the different MSC subtypes, resulting in diverse differentiation programmes.

  11. Single ionization and electron capture in He2++Na collisions

    NARCIS (Netherlands)

    Knoop, S; Olson, RE; Ott, H; Hasan, VG; Morgenstern, R; Hoekstra, R

    2005-01-01

    Single-electron capture and ionization in He2+ + Na collisions at energies around the matching velocity (2-13 keV amu(-1)) have been studied both experimentally and theoretically. State-selective cross section for capture into the n = 2, 3, 4 and n >= 5, and the ionization cross section as well as d

  12. Two- and quasi-two-body strange particle final state production in. pi. /sup +/p interactions at low to intermediate energies

    Energy Technology Data Exchange (ETDEWEB)

    Hanson, P.

    1982-10-01

    The two and quasi-two body final states ..sigma../sup +/K/sup +/, ..sigma../sup +/K* (892)/sup +/, ..sigma..*(1385)/sup +/K/sup +/, ..sigma..(1385)/sup +/K*(892)/sup +/ produced by neutral strangeness exchange in ..pi../sup +/p interactions are studied using our own 1-3 GeV/c data, comprising the 14 incident momenta of a two million picture bubble chamber experiment, in combination with the world data on the same and related channels. Because low energy resonance formation is not strongly coupled to the ..sigma..,..sigma..* production channels, at very modest incident momenta their dominant features are seen to be understandable in terms of high energy hypercharge exchange phenomenology. We find that Regge models fitted to data in the 10 to 20 GeV/c range adequately describe the ..sigma.. and ..sigma..* channels down to within a few hundred MeV/c of threshold and out to large center of mass scattering angles, and that over the range of the available world data weak exchange degeneracy expectations for these reactions are at least qualitatively successful. We observe that the SU(2), SU(3) flavor symmetries successfully describe these hypercharge exchange processes and relate them to charge exchange via sum rules and equalities expressing flavor independence of the strong interaction; in particular, we derive and test on the available world data a mass broken SU(3) sum rule for ..pi../sup +/p ..-->.. K/sup +/..sigma../sup +/, ..pi../sup -/p ..-->.. K/sup 0/..lambda.., K/sup -/p ..-->.. anti K/sup 0/n and test over a wider range of momenta than before an earlier expression relating ..sigma..* and ..delta.. production. We also find at least qualitative agreement between quark model predictions for forward hypercharge exchange and the data, and we find that 90/sup 0/ hypercharge exchange cross sections also conform to the expectations of the quark constituent picture for hadrons.

  13. A detailed analysis of the high-resolution X-ray spectra of NGC 3516: variability of the ionized absorbers

    Energy Technology Data Exchange (ETDEWEB)

    Huerta, E. M.; Krongold, Y.; Jimenez-Bailon, E. [Departamento de Astronomia Extragalactica y Cosmologia, Instituto de Astronomia, Universidad Nacional Autonoma de Mexico (UNAM), Apartado Postal 70-264, 04510 Mexico D.F. (Mexico); Nicastro, F. [Osservatorio Astronomico di Roma-INAF, Via di Frascati 33, I-00040 Monte Porzio Catone, RM (Italy); Mathur, S. [Astronomy Department, The Ohio State University, Enarson Hall, 140 West 18th Avenue, Columbus, OH 43210 (United States); Longinotti, A. L. [European Space Astronomy Centre of ESA, E-28691, Madrid (Spain)

    2014-09-20

    The 1.5 Seyfert galaxy NGC 3516 presents a strong time variability in X-rays. We re-analyzed the nine observations performed in 2006 October by XMM-Newton and Chandra in the 0.3 to 10 keV energy band. An acceptable model was found for the XMM-Newton data fitting the EPIC-PN and RGS spectra simultaneously; later, this model was successfully applied to the contemporary Chandra high-resolution data. The model consists of a continuum emission component (power law + blackbody) absorbed by four ionized components (warm absorbers), and 10 narrow emission lines. Three absorbing components are warm, producing features only in the soft X-ray band. The fourth ionization component produces Fe XXV and Fe XXVI in the hard-energy band. We study the time response of the absorbing components to the well-detected changes in the X-ray luminosity of this source and find that the two components with the lower ionization state show clear opacity changes consistent with gas close to photoionization equilibrium. These changes are supported by the models and by differences in the spectral features among the nine observations. On the other hand, the two components with higher ionization state do not seem to respond to continuum variations. The response time of the ionized absorbers allows us to constrain their electron density and location. We find that one component (with intermediate ionization) must be located within the obscuring torus at a distance 2.7 × 10{sup 17} cm from the central engine. This outflowing component likely originated in the accretion disk. The three remaining components are at distances larger than 10{sup 16}-10{sup 17} cm. Two of the absorbing components in the soft X-rays have similar outflow velocities and locations. These components may be in pressure equilibrium, forming a multi-phase medium, if the gas has metallicity larger than the solar one (≳ 5 Z {sub ☉}). We also search for variations in the covering factor of the ionized absorbers (although partial

  14. Measurement of the first ionization potential of astatine by laser ionization spectroscopy

    CERN Document Server

    Rothe, S; 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, Yu; Köster, U; Lane, J; 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 smallest 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, 9.317510(8) eV. New ab initio calculations were 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 super-heavy element 117, the heaviest homologue of astatine.

  15. Non-Liouvillean ion injection via resonantly enhanced two-photon ionization

    Directory of Open Access Journals (Sweden)

    B. A. Knyazev

    2004-03-01

    Full Text Available The charge-exchange method is now one of the main techniques for ion injection into accelerators and storage rings. The disadvantages of conventional methods, based on the atom or ion stripping in a material target, are emittance growth, energy straggling, and production of ions in many charge states. Recently suggested stripping methods based on direct photoionization require employment of hard-UV lasers, which still do not exist and must obviously be very bulky and expensive. An alternative method, suggested for injection of proton beams, employs excitation of the atom to 3p intermediate state with subsequent Lorentz ionization in a magnetic field gradient. This technique applies rigid requirements to laser characteristic and is not free of growing of the beam divergence. In this paper a variant of the stripping technique based on the resonantly enhanced two-photon ionization (RETPI is considered. The technique allows ionization of singly charged ions of the elements from helium to bismuth. A variant of the technique can be used for proton injection. RETPI can be applied for both ion injection and stacking, as well as for diagnostics of ion beam characteristics on the orbit. Stripping efficiency can be about 100% for the singly charged ions having the singlet ground state and decreases for the other ions. Special methods for “cleaning” unwanted atomic states in such ions, that can provide high stripping efficiency, are discussed. Excimer lasers with very moderate parameters can be employed for implementation of this technique for almost all elements. Numerical examples show that for most of the singly charged ions and for hydrogen atom necessary laser-beam energy density is merely 0.5–8  J/cm^{2} for a 1 m interaction region, and is 10 times higher for several light ions.

  16. Non-Liouvillean ion injection via resonantly enhanced two-photon ionization

    Science.gov (United States)

    Knyazev, B. A.

    2004-03-01

    The charge-exchange method is now one of the main techniques for ion injection into accelerators and storage rings. The disadvantages of conventional methods, based on the atom or ion stripping in a material target, are emittance growth, energy straggling, and production of ions in many charge states. Recently suggested stripping methods based on direct photoionization require employment of hard-UV lasers, which still do not exist and must obviously be very bulky and expensive. An alternative method, suggested for injection of proton beams, employs excitation of the atom to 3p intermediate state with subsequent Lorentz ionization in a magnetic field gradient. This technique applies rigid requirements to laser characteristic and is not free of growing of the beam divergence. In this paper a variant of the stripping technique based on the resonantly enhanced two-photon ionization (RETPI) is considered. The technique allows ionization of singly charged ions of the elements from helium to bismuth. A variant of the technique can be used for proton injection. RETPI can be applied for both ion injection and stacking, as well as for diagnostics of ion beam characteristics on the orbit. Stripping efficiency can be about 100% for the singly charged ions having the singlet ground state and decreases for the other ions. Special methods for “cleaning” unwanted atomic states in such ions, that can provide high stripping efficiency, are discussed. Excimer lasers with very moderate parameters can be employed for implementation of this technique for almost all elements. Numerical examples show that for most of the singly charged ions and for hydrogen atom necessary laser-beam energy density is merely 0.5 8 J/cm2 for a 1m interaction region, and is 10times higher for several light ions.

  17. Carbonyl Activation by Borane Lewis Acid Complexation: Transition States of H2 Splitting at the Activated Carbonyl Carbon Atom in a Lewis Basic Solvent and the Proton-Transfer Dynamics of the Boroalkoxide Intermediate.

    Science.gov (United States)

    Heshmat, Mojgan; Privalov, Timofei

    2017-07-06

    By using transition-state (TS) calculations, we examined how Lewis acid (LA) complexation activates carbonyl compounds in the context of hydrogenation of carbonyl compounds by H2 in Lewis basic (ethereal) solvents containing borane LAs of the type (C6 F5 )3 B. According to our calculations, LA complexation does not activate a ketone sufficiently enough for the direct addition of H2 to the O=C unsaturated bond; but, calculations indicate a possibly facile heterolytic cleavage of H2 at the activated and thus sufficiently Lewis acidic carbonyl carbon atom with the assistance of the Lewis basic solvent (i.e., 1,4-dioxane or THF). For the solvent-assisted H2 splitting at the carbonyl carbon atom of (C6 F5 )3 B adducts with different ketones, a number of TSs are computed and the obtained results are related to insights from experiment. By using the Born-Oppenheimer molecular dynamics with the DFT for electronic structure calculations, the evolution of the (C6 F5 )3 B-alkoxide ionic intermediate and the proton transfer to the alkoxide oxygen atom were investigated. The results indicate a plausible hydrogenation mechanism with a LA, that is, (C6 F5 )3 B, as a catalyst, namely, 1) the step of H2 cleavage that involves a Lewis basic solvent molecule plus the carbonyl carbon atom of thermodynamically stable and experimentally identifiable (C6 F5 )3 B-ketone adducts in which (C6 F5 )3 B is the "Lewis acid promoter", 2) the transfer of the solvent-bound proton to the oxygen atom of the (C6 F5 )3 B-alkoxide intermediate giving the (C6 F5 )3 B-alcohol adduct, and 3) the SN 2-style displacement of the alcohol by a ketone or a Lewis basic solvent molecule. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Ionization energies along beryllium isoelectronic sequence

    CERN Document Server

    Malyshev, A V; Glazov, D A; Tupitsyn, I I; Shabaev, V M; Plunien, G

    2015-01-01

    Ionization energies for the ground state of berylliumlike ions with nuclear charge numbers in the range Z=16-96 are rigorously evaluated. The calculations merge the ab initio QED treatment in the first and second orders of the perturbation theory in the fine-structure constant $\\alpha$ with the third- and higher-order electron-correlation contributions evaluated within the Breit approximation. The nuclear recoil and nuclear polarization effects are taken into account. The accuracy of the ionization energies obtained has been significantly improved in comparison with previous calculations.

  19. Ionization beam scanner

    CERN Multimedia

    CERN PhotoLab

    1973-01-01

    Inner structure of an ionization beam scanner, a rather intricate piece of apparatus which permits one to measure the density distribution of the proton beam passing through it. On the outside of the tank wall there is the coil for the longitudinal magnetic field, on the inside, one can see the arrangement of electrodes creating a highly homogeneous transverse electric field.

  20. Detection of Extraplanar Diffuse Ionized Gas in M83

    Science.gov (United States)

    Boettcher, Erin; Gallagher, J. S., III; Zweibel, Ellen G.

    2017-08-01

    We present the first kinematic study of extraplanar diffuse ionized gas (eDIG) in the nearby, face-on disk galaxy M83 using optical emission-line spectroscopy from the Robert Stobie Spectrograph on the Southern African Large Telescope. We use a Markov Chain Monte Carlo method to decompose the [N ii]λ λ 6548, 6583, Hα, and [S ii]λ λ 6717, 6731 emission lines into H ii region and diffuse ionized gas emission. Extraplanar, diffuse gas is distinguished by its emission-line ratios ([N ii]λ6583/Hα ≳ 1.0) and its rotational velocity lag with respect to the disk ({{Δ }}v=-24 km s-1 in projection). With interesting implications for isotropy, the velocity dispersion of the diffuse gas, σ =96 km s-1, is a factor of a few higher in M83 than in the Milky Way and nearby, edge-on disk galaxies. The turbulent pressure gradient is sufficient to support the eDIG layer in dynamical equilibrium at an electron scale height of {h}z=1 kpc. However, this dynamical equilibrium model must be finely tuned to reproduce the rotational velocity lag. There is evidence of local bulk flows near star-forming regions in the disk, suggesting that the dynamical state of the gas may be intermediate between a dynamical equilibrium and a galactic fountain flow. As one of the first efforts to study eDIG kinematics in a face-on galaxy, this study demonstrates the feasibility of characterizing the radial distribution, bulk velocities, and vertical velocity dispersions in low-inclination systems. Based on observations made with the Southern African Large Telescope (SALT) under program 2015-2-SCI-004 (PI: E. Boettcher).

  1. Particle modeling of microplasma generated by resonance enhanced multiphoton ionization

    Science.gov (United States)

    Tholeti, Siva Sashank

    Resonance-enhanced multiphoton ionization (REMPI) is a technique applied to the spectroscopy of atoms. The REMPI technique typically involves a resonant single or multiple photon absorption to an electronically excited intermediate state followed by another photon which ionizes the atom. Rayleigh scattering of REMPI plasma has given rise to a non-intrusive, time accurate measurement of electron formation and loss, which lead to many applications viz. trace species detection and micro-plasma diagnostics. It is very important to quantify the expansion process and the evolution of energy of electrons and ions. The operation scale of this process is in microns and non continuum nature of the process lead to the use of PIC/MCC scheme to compu- tationally model REMPI technique. This work attempts to understand and analyze the processes taking place during the expansion of REMPI plasma computationally using the PIC/MCC scheme. One dimensional and two dimensional approximations are considered to analyze the REMPI plasma expansion in Argon gas generated by a laser with a focal shape of a prolate ellipsoid. The expansion of the plasma is found to be very sensitive to the initial velocity distribution of the electrons. REMPI plasma expansion is shown to be ambipolar in nature, with the radial expansion more predominant than axial expansion, hence requiring the 2D model. Electron energy distribution functions(EEDFs) are found at various radial locations along with the corresponding mean energies. The deviation of the EEDFs from that of equilibrium Maxwell-Boltzmann energy distribution is presented both qualitatively and quanti- tatively, indicating the predominant processes at various instances in time.

  2. Combustion study with synchrotron radiation single photon ionization technique

    Institute of Scientific and Technical Information of China (English)

    YANG Rui; WANG Jing; HUANG Chaoqun; YANG Bin; WEI Lixia; SHAN Xiaobin; SHENG Liusi; ZHANG Yunwu; QI Fei

    2005-01-01

    Here we report a combustion endstation at National Synchrotron Radiation Laboratory (NSRL) and some primary experimental results. Synchrotron radiation can provide the tunable vacuum ultraviolet (VUV) photon with the high intensity and the good collimation. VUV photoionization is a single-photon ionization process. Combined with molecular-beam mass spectrometry (MBMS), the VUV single-photon ionization can be applied to detect the combustion products, especially the intermediates and free radicals produced from combustion process. This method is proved to be a powerful tool for combustion study, which could be helpful for developing combustion kinetic models and understanding the mechanism of combustion reactions.

  3. Multiphoton ionization of large water clusters.

    Science.gov (United States)

    Apicella, B; Li, X; Passaro, M; Spinelli, N; Wang, X

    2014-05-28

    Water clusters are multimers of water molecules held together by hydrogen bonds. In the present work, multiphoton ionization in the UV range coupled with time of flight mass spectrometry has been applied to water clusters with up to 160 molecules in order to obtain information on the electronic states of clusters of different sizes up to dimensions that can approximate the bulk phase. The dependence of ion intensities of water clusters and their metastable fragments produced by laser ionization at 355 nm on laser power density indicates a (3+1)-photon resonance-enhanced multiphoton ionization process. It also explains the large increase of ionization efficiency at 355 nm compared to that at 266 nm. Indeed, it was found, by applying both nanosecond and picosecond laser ionization with the two different UV wavelengths, that no water cluster sequences after n = 9 could be observed at 266 nm, whereas water clusters up to m/z 2000 Th in reflectron mode and m/z 3000 Th in linear mode were detected at 355 nm. The agreement between our findings on clusters of water, especially true in the range with n > 10, and reported data for liquid water supports the hypothesis that clusters above a critical dimension can approximate the liquid phase. It should thus be possible to study clusters just above 10 water molecules, for getting information on the bulk phase structure.

  4. On the Intermediate Line Region in AGNs

    Directory of Open Access Journals (Sweden)

    Tek P. Adhikari

    2017-09-01

    Full Text Available In this paper we explore the intermediate line region (ILR by using the photoionisation simulations of the gas clouds present at different radial distances from the center, corresponding to the locations from BLR out to NLR in four types of AGNs. We let for the presence of dust whenever conditions allow for dust existence. All spectral shapes are taken from the recent multi-wavelength campaigns. The cloud density decreases with distance as a power law. We found that the slope of the power law density profile does not affect the line emissivity radial profiles of major emission lines: Hβ, He II, Mg II, C III, and O III. When the density of the cloud at the sublimation radius is as high as 1011.5 cm−3, the ILR should clearly be seen in the observations independently of the shape of the illuminating radiation. Moreover, our result is valid for low ionization nuclear emission regions of active galaxies.

  5. Recollision induced superradiance of ionized nitrogen molecules

    CERN Document Server

    Liu, Yi; Lambert, Guillaume; Houard, Aurelien; Tikhonchuk, Vladimir; Mysyrowicz, Andre

    2015-01-01

    We propose a new mechanism to explain the origin of optical gain in the transitions between excited and ground state of the ionized nitrogen molecule following irradiation of neutral nitrogen molecules with an intense ultra short laser pulse. An efficient transfer of population to the excited state is achieved via field-induced multiple recollisions. We show that the proposed excitation mechanism must lead to a super-radiant emission, a feature that we confirm experimentally.

  6. Isoporphyrin Intermediate in Heme Oxygenase Catalysis

    Science.gov (United States)

    Evans, John P.; Niemevz, Fernando; Buldain, Graciela; de Montellano, Paul Ortiz

    2008-01-01

    Human heme oxygenase-1 (hHO-1) catalyzes the O2- and NADPH-dependent oxidation of heme to biliverdin, CO, and free iron. The first step involves regiospecific insertion of an oxygen atom at the α-meso carbon by a ferric hydroperoxide and is predicted to proceed via an isoporphyrin π-cation intermediate. Here we report spectroscopic detection of a transient intermediate during oxidation by hHO-1 of α-meso-phenylheme-IX, α-meso-(p-methylphenyl)-mesoheme-III, and α-meso-(p-trifluoromethylphenyl)-mesoheme-III. In agreement with previous experiments (Wang, J., Niemevz, F., Lad, L., Huang, L., Alvarez, D. E., Buldain, G., Poulos, T. L., and Ortiz de Montellano, P. R. (2004) J. Biol. Chem. 279, 42593–42604), only the α-biliverdin isomer is produced with concomitant formation of the corresponding benzoic acid. The transient intermediate observed in the NADPH-P450 reductase-catalyzed reaction accumulated when the reaction was supported by H2O2 and exhibited the absorption maxima at 435 and 930 nm characteristic of an isoporphyrin. Product analysis by reversed phase high performance liquid chromatography and liquid chromatography electrospray ionization mass spectrometry of the product generated with H2O2 identified it as an isoporphyrin that, on quenching, decayed to benzoylbiliverdin. In the presence of H218O2, one labeled oxygen atom was incorporated into these products. The hHO-1-isoporphyrin complexes were found to have half-lives of 1.7 and 2.4 h for the p-trifluoromethyl- and p-methyl-substituted phenylhemes, respectively. The addition of NADPH-P450 reductase to the H2O2-generated hHO-1-isoporphyrin complex produced α-biliverdin, confirming its role as a reaction intermediate. Identification of an isoporphyrin intermediate in the catalytic sequence of hHO-1, the first such intermediate observed in hemoprotein catalysis, completes our understanding of the critical first step of heme oxidation. PMID:18487208

  7. THE NONLINEAR OHM'S LAW: PLASMA HEATING BY STRONG ELECTRIC FIELDS AND ITS EFFECTS ON THE IONIZATION BALANCE IN PROTOPLANETARY DISKS

    Energy Technology Data Exchange (ETDEWEB)

    Okuzumi, Satoshi [Department of Earth and Planetary Sciences, Tokyo Institute of Technology, Meguro-ku, Tokyo 152-8551 (Japan); Inutsuka, Shu-ichiro, E-mail: okuzumi@geo.titech.ac.jp [Department of Physics, Nagoya University, Nagoya, Aichi 464-8602 (Japan)

    2015-02-10

    The ionization state of the gas plays a key role in the magnetohydrodynamics (MHD) of protoplanetary disks. However, the ionization state can depend on the gas dynamics, because electric fields induced by MHD turbulence can heat up plasmas and thereby affect the ionization balance. To study this nonlinear feedback, we construct an ionization model that includes plasma heating by electric fields and impact ionization by heated electrons, as well as charging of dust grains. We show that when plasma sticking onto grains is the dominant recombination process, the electron abundance in the gas decreases with increasing electric field strength. This is a natural consequence of electron-grain collisions whose frequency increases with the electron's random velocity. The decreasing electron abundance may lead to a self-regulation of MHD turbulence. In some cases, not only the electron abundance but also the electric current decreases with increasing field strength in a certain field range. The resulting N-shaped current-field relation violates the fundamental assumption of the non-relativistic MHD that the electric field is uniquely determined by the current density. At even higher field strengths, impact ionization causes an abrupt increase of the electric current as expected by previous studies. We find that this discharge current is multi-valued (i.e., the current-field relation is S-shaped) under some circumstances, and that the intermediate branch is unstable. The N/S-shaped current-field relations may yield hysteresis in the evolution of MHD turbulence in some parts of protoplanetary disks.

  8. Weak Interaction Neutron Production Rates in Fully Ionized Plasmas

    OpenAIRE

    Widom, A.; Swain, J.; Srivastava, Y. N.

    2013-01-01

    Employing the weak interaction reaction wherein a heavy electron is captured by a proton to produce a neutron and a neutrino, the neutron production rate for neutral hydrogen gases and for fully ionized plasmas is computed. Using the Coulomb atomic bound state wave functions of a neutral hydrogen gas, our production rate results are in agreement with recent estimates by Maiani {\\it et al}. Using Coulomb scattering state wave functions for the fully ionized plasma, we find a substantially enha...

  9. Freeman resonances in high-order above-threshold ionization

    Energy Technology Data Exchange (ETDEWEB)

    Potvliege, R M [Department of Physics, Durham University, Durham DH1 3LE (United Kingdom); Vucic, Svetlana [Institute of Physics, Belgrade University, Pregrevica 118, 11080 Zemun (Yugoslavia)

    2009-03-14

    Photoelectron energy spectra for ionization in a strong laser field are calculated within the Floquet framework, for a one-electron model of argon and for other model potentials. The results indicate that, at least for linear polarization and not too short pulse durations, the plateau enhancements dominating high-order above-threshold ionization in rare gases originate from Stark-shift-induced resonances with dressed excited states similar in spatial extension to low-excited field-free states.

  10. Physics of ionized gases

    CERN Document Server

    Smirnov, Boris M

    2001-01-01

    A comprehensive textbook and reference for the study of the physics of ionized gasesThe intent of this book is to provide deep physical insight into the behavior of gases containing atoms and molecules from which one or more electrons have been ionized. The study of these so-called plasmas begins with an overview of plasmas as they are found in nature and created in the laboratory. This serves as a prelude to a comprehensive study of plasmas, beginning with low temperature and "ideal" plasmas and extending to radiation and particle transport phenomena, the response of plasmas to external fields, and an insightful treatment of plasma waves, plasma instabilities, nonlinear phenomena in plasmas, and the study of plasma interactions with surfaces

  11. Dynamics mechanism of optical-optical double-resonant multiphoton ionization of nitrogen dioxide

    Institute of Scientific and Technical Information of China (English)

    Guiyin Zhang; Yidong Jin

    2007-01-01

    The optical-optical double-resonant multiphoton ionization (OODR-MPI) spectrum of NO2 molecule in the 460-605-nm wavelength region of the probe photon is presented. The mechanism of the OODR-MPI of NO2 molecule is analyzed. The results show that the resonant features can be assigned to the transitions from the first 3sσg Rydberg intermediate resonant state to the final npσu Rydberg series. The ionization pathway is NO2 (X2A1) 3hv1→ 3sσghv2→npσu hv2 or autoionization→NO2+ + e. It is found that the converging potential of the npσu Rydberg series and the quantum defect of np orbit about NO2 are (78803 ± 14) cm-1 and 0.652 ± 0.014, respectively. The bending vibration frequency of 5pσu state is determined also.

  12. Depression and ionizing radiation.

    Science.gov (United States)

    Loganovsky, K N; Vasilenko, Z L

    2013-01-01

    The objective of this at issue paper is the analysis of published data in correlation with the results of own research on the potential role of ionizing radiation in the genesis of depressive disorders. Depression is one of the most significant and long-term effect of the atomic bombings, nuclear testing and radiation emergences. The participants of the accident at the Chornobyl nuclear power plant increased prevalence of depression (18.0% and 13.1% in controls) and suicide rates. Depression is mainly observed in the structure of an organic mental disorder against cerebrovascular disease. The clinical pattern is dominated by asthenoadynamic and asthenoapathetic depression. Depressive disorders in radiation emergencies are multifactorial, that is the result of exposure to the complex psychogenic and radiological accident's factors, impact of traditional risk factors, somatic and neurological diseases, genetic predisposition, predisposition, etc. At the same time, exposure to ionizing radiation is a factor in the genesis of depression. This impact can be direct (to the Central Nervous System), and indirectly through the somatic and neurological abnormalities (multiorgan dysfunction) as well as by a variety of pathogenic mechanisms of ionizing radiation on the brain that have been discovered recently. It is strongly necessary analytical clinical and epidemiological studies with verification of depression and evidence-based establishment of the role of radiation and non-radiation risk factors. Loganovskyj K. N., Vasylenko Z. L., 2013.

  13. France’s State of the Art Distributed Optical Fibre Sensors Qualified for the Monitoring of the French Underground Repository for High Level and Intermediate Level Long Lived Radioactive Wastes

    Science.gov (United States)

    Delepine-Lesoille, Sylvie; Girard, Sylvain; Landolt, Marcel; Bertrand, Johan; Planes, Isabelle; Boukenter, Aziz; Marin, Emmanuel; Humbert, Georges; Leparmentier, Stéphanie; Auguste, Jean-Louis; Ouerdane, Youcef

    2017-01-01

    This paper presents the state of the art distributed sensing systems, based on optical fibres, developed and qualified for the French Cigéo project, the underground repository for high level and intermediate level long-lived radioactive wastes. Four main parameters, namely strain, temperature, radiation and hydrogen concentration are currently investigated by optical fibre sensors, as well as the tolerances of selected technologies to the unique constraints of the Cigéo’s severe environment. Using fluorine-doped silica optical fibre surrounded by a carbon layer and polyimide coating, it is possible to exploit its Raman, Brillouin and Rayleigh scattering signatures to achieve the distributed sensing of the temperature and the strain inside the repository cells of radioactive wastes. Regarding the dose measurement, promising solutions are proposed based on Radiation Induced Attenuation (RIA) responses of sensitive fibres such as the P-doped ones. While for hydrogen measurements, the potential of specialty optical fibres with Pd particles embedded in their silica matrix is currently studied for this gas monitoring through its impact on the fibre Brillouin signature evolution. PMID:28608831

  14. Laser resonance ionization scheme development for tellurium and germanium at the dual Ti:Sa–Dye ISOLDE RILIS

    Energy Technology Data Exchange (ETDEWEB)

    Day Goodacre, T., E-mail: thomas.day.goodacre@cern.ch [CERN, CH-1211 Geneva 23 (Switzerland); School of Physics and Astronomy, The University of Manchester, Manchester M13 9PL (United Kingdom); Fedorov, D. [Petersburg Nuclear Physics Institute, 188350 Gatchina (Russian Federation); Fedosseev, V.N.; Forster, L.; Marsh, B.A. [CERN, CH-1211 Geneva 23 (Switzerland); Rossel, R.E. [CERN, CH-1211 Geneva 23 (Switzerland); Institut für Physik, Johannes Gutenberg Universität, D-55099 Mainz (Germany); Faculty of Design, Computer Science and Media, Hochschule RheinMain, Wiesbaden (Germany); Rothe, S.; Veinhard, M. [CERN, CH-1211 Geneva 23 (Switzerland)

    2016-09-11

    The resonance ionization laser ion source (RILIS) is the principal ion source of the ISOLDE radioactive beam facility based at CERN. Using the method of in-source laser resonance ionization spectroscopy, a transition to a new autoionizing state of tellurium was discovered and applied as part of a three-step, three-resonance, photo-ionization scheme. In a second study, a three-step, two-resonance, photo-ionization scheme for germanium was developed and the ionization efficiency was measured at ISOLDE. This work increases the range of ISOLDE RILIS ionized beams to 31 elements. Details of the spectroscopy studies are described and the new ionization schemes are summarized.

  15. Laser resonance ionization scheme development for tellurium and germanium at the dual Ti:Sa–Dye ISOLDE RILIS

    CERN Document Server

    Day Goodacre, T.; Fedosseev, V.N.; Forster, L.; Marsh, B.A.; Rossel, R.E.; Rothe, S.; Veinhard, M.

    2016-01-01

    The resonance ionization laser ion source (RILIS) is the principal ion source of the ISOLDE radioactive beam facility based at CERN. Using the method of in-source laser resonance ionization spectroscopy, a transition to a new autoionizing state of tellurium was discovered and applied as part of a three-step, three-resonance, photo-ionization scheme. In a second study, a three-step, two-resonance, photo-ionization scheme for germanium was developed and the ionization efficiency was measured at ISOLDE. This work increases the range of ISOLDE RILIS ionized beams to 31 elements. Details of the spectroscopy studies are described and the new ionization schemes are summarized.

  16. Laser resonance ionization scheme development for tellurium and germanium at the dual Ti:Sa-Dye ISOLDE RILIS

    Science.gov (United States)

    Day Goodacre, T.; Fedorov, D.; Fedosseev, V. N.; Forster, L.; Marsh, B. A.; Rossel, R. E.; Rothe, S.; Veinhard, M.

    2016-09-01

    The resonance ionization laser ion source (RILIS) is the principal ion source of the ISOLDE radioactive beam facility based at CERN. Using the method of in-source laser resonance ionization spectroscopy, a transition to a new autoionizing state of tellurium was discovered and applied as part of a three-step, three-resonance, photo-ionization scheme. In a second study, a three-step, two-resonance, photo-ionization scheme for germanium was developed and the ionization efficiency was measured at ISOLDE. This work increases the range of ISOLDE RILIS ionized beams to 31 elements. Details of the spectroscopy studies are described and the new ionization schemes are summarized.

  17. [Electron transfer, ionization, and excitation in atomic collisions]. Final technical report, June 15, 1986--June 14, 1998

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1998-12-31

    The research on theoretical atomic collisions that was funded at The Pennsylvania State University`s Wilkes-Barre Campus by DOE from 1986 to 1998 was carried out by Winger from 1986 to 1989 and by Winter and Alston from 1989 to 1998. The fundamental processes of electron transfer, ionization, and excitation in ion-ion, ion-atom, and, more recently, ion-molecule collisions were addressed. These collision processes were treated in the context of simple one-electron, quasi-one-electron, or two-electron systems in order to provide unambiguous results and reveal more clearly the collisional mechanisms. Winter`s work generally focused on the intermediate projectile-energy range corresponding to proton energies from about ten to a few hundred keV. In this velocity-matching energy range, the electron-transfer cross section reaches a peak, and many states, including electron-transfer and ionization states, contribute to the overall electron-cloud distribution and transition probabilities; a large number of states are coupled, and therefore perturbative approaches are generally inappropriate. These coupled-state calculations were sometimes also extended to higher energies to join with perturbative results. Alston concentrated on intermediate-energy asymmetric collision systems, for which coupling with the projectile is weaker, but many target states are included, and on high energies (MeV energies). Thus, while perturbation theory for electron transfer is valid, it is not adequate to first order. The studies by Winter and Alston described were often done in parallel. Alston also developed formal perturbative approaches not tied to any particular system. Materials studied included He{sup +}, Li{sup 2+}, Be{sup 3+}, B{sup 4+}, C{sup 5+}, and the H{sup +} + Na system.

  18. Partially folded intermediates during trypsinogen denaturation

    Directory of Open Access Journals (Sweden)

    Martins N.F.

    1999-01-01

    Full Text Available The equilibrium unfolding of bovine trypsinogen was studied by circular dichroism, differential spectra and size exclusion HPLC. The change in free energy of denaturation was = 6.99 ± 1.40 kcal/mol for guanidine hydrochloride and = 6.37 ± 0.57 kcal/mol for urea. Satisfactory fits of equilibrium unfolding transitions required a three-state model involving an intermediate in addition to the native and unfolded forms. Size exclusion HPLC allowed the detection of an intermediate population of trypsinogen whose Stokes radii varied from 24.1 ± 0.4 Å to 26.0 ± 0.3 Å for 1.5 M and 2.5 M guanidine hydrochloride, respectively. During urea denaturation, the range of Stokes radii varied from 23.9 ± 0.3 Å to 25.7 ± 0.6 Å for 4.0 M and 6.0 M urea, respectively. Maximal intrinsic fluorescence was observed at about 3.8 M urea with 8-aniline-1-naphthalene sulfonate (ANS binding. These experimental data indicate that the unfolding of bovine trypsinogen is not a simple transition and suggest that the equilibrium intermediate population comprises one intermediate that may be characterized as a molten globule. To obtain further insight by studying intermediates representing different stages of unfolding, we hope to gain a better understanding of the complex interrelations between protein conformation and energetics.

  19. An architecture for recycling intermediates in a column-store

    NARCIS (Netherlands)

    Ivanova, M.G.; Kersten, M.L.; Nes, N.J.; Goncalves, R.A.

    2010-01-01

    Automatic recycling intermediate results to improve both query response time and throughput is a grand challenge for state-of-the-art databases. Tuples are loaded and streamed through a tuple-at-a-time processing pipeline, avoiding materialisation of intermediates as much as possible. This limits th

  20. Ionization photophysics and spectroscopy of cyanoacetylene

    Energy Technology Data Exchange (ETDEWEB)

    Leach, Sydney; Champion, Norbert [LERMA UMR CNRS 8112, Observatoire de Paris-Meudon, 5 place Jules-Jansen, 92195 Meudon (France); Garcia, Gustavo A.; Fray, Nicolas; Gaie-Levrel, François [Synchrotron SOLEIL, L’Orme des Merisiers, St. Aubin, B.P. 48, 91192, Gif-sur-Yvette Cedex (France); Mahjoub, Ahmed; Bénilan, Yves; Gazeau, Marie-Claire; Schwell, Martin [LISA UMR CNRS 7583, Université Paris Est Créteil and Université Paris Diderot, Institut Pierre Simon Laplace, 61 Avenue du Général de Gaulle, 94010 Créteil (France)

    2014-05-07

    Photoionization of cyanoacetylene was studied using synchrotron radiation over the non-dissociative ionization excitation range 11–15.6 eV, with photoelectron-photoion coincidence techniques. The absolute ionization cross-section and spectroscopic aspects of the parent ion were recorded. The adiabatic ionization energy of cyanoacetylene was measured as 11.573 ± 0.010 eV. A detailed analysis of photoelectron spectra of HC{sub 3}N involves new aspects and new assignments of the vibrational components to excitation of the A{sup 2}Σ{sup +} and B{sup 2}Π states of the cation. Some of the structured autoionization features observed in the 11.94 to 15.5 eV region of the total ion yield (TIY) spectrum were assigned to two Rydberg series converging to the B{sup 2}Π state of HC{sub 3}N{sup +}. A number of the measured TIY features are suggested to be vibrational components of Rydberg series converging to the C{sup 2}Σ{sup +} state of HC{sub 3}N{sup +} at ≈17.6 eV and others to valence shell transitions of cyanoacetylene in the 11.6–15 eV region. The results of quantum chemical calculations of the cation electronic state geometries, vibrational frequencies and energies, as well as of the C–H dissociation potential energy profiles of the ground and electronic excited states of the ion, are compared with experimental observations. Ionization quantum yields are evaluated and discussed and the problem of adequate calibration of photoionization cross-sections is raised.

  1. Ionization photophysics and spectroscopy of cyanoacetylene

    Science.gov (United States)

    Leach, Sydney; Garcia, Gustavo A.; Mahjoub, Ahmed; Bénilan, Yves; Fray, Nicolas; Gazeau, Marie-Claire; Gaie-Levrel, François; Champion, Norbert; Schwell, Martin

    2014-05-01

    Photoionization of cyanoacetylene was studied using synchrotron radiation over the non-dissociative ionization excitation range 11-15.6 eV, with photoelectron-photoion coincidence techniques. The absolute ionization cross-section and spectroscopic aspects of the parent ion were recorded. The adiabatic ionization energy of cyanoacetylene was measured as 11.573 ± 0.010 eV. A detailed analysis of photoelectron spectra of HC3N involves new aspects and new assignments of the vibrational components to excitation of the A2Σ+ and B2Π states of the cation. Some of the structured autoionization features observed in the 11.94 to 15.5 eV region of the total ion yield (TIY) spectrum were assigned to two Rydberg series converging to the B2Π state of HC3N+. A number of the measured TIY features are suggested to be vibrational components of Rydberg series converging to the C2Σ+ state of HC3N+ at ≈17.6 eV and others to valence shell transitions of cyanoacetylene in the 11.6-15 eV region. The results of quantum chemical calculations of the cation electronic state geometries, vibrational frequencies and energies, as well as of the C-H dissociation potential energy profiles of the ground and electronic excited states of the ion, are compared with experimental observations. Ionization quantum yields are evaluated and discussed and the problem of adequate calibration of photoionization cross-sections is raised.

  2. Study of ionization process of matrix molecules in matrix-assisted laser desorption ionization

    Energy Technology Data Exchange (ETDEWEB)

    Murakami, Kazumasa; Sato, Asami; Hashimoto, Kenro; Fujino, Tatsuya, E-mail: fujino@tmu.ac.jp

    2013-06-20

    Highlights: ► Proton transfer and adduction reaction of matrix in MALDI were studied. ► Hydroxyl group forming intramolecular hydrogen bond was related to the ionization. ► Intramolecular proton transfer in the electronic excited state was the initial step. ► Non-volatile analytes stabilized protonated matrix in the ground state. ► A possible mechanism, “analyte support mechanism”, has been proposed. - Abstract: Proton transfer and adduction reaction of matrix molecules in matrix-assisted laser desorption ionization were studied. By using 2,4,6-trihydroxyacetophenone (THAP), 2,5-dihydroxybenzoic acid (DHBA), and their related compounds in which the position of a hydroxyl group is different, it was clarified that a hydroxyl group forming an intramolecular hydrogen bond is related to the ionization of matrix molecules. Intramolecular proton transfer in the electronic excited state of the matrix and subsequent proton adduction from a surrounding solvent to the charge-separated matrix are the initial steps for the ionization of matrix molecules. Nanosecond pump–probe NIR–UV mass spectrometry confirmed that the existence of analyte molecules having large dipole moment in their structures is necessary for the stabilization of [matrix + H]{sup +} in the electronic ground state.

  3. SU-E-T-96: Demonstration of a Consistent Method for Correcting Surface Dose Measurements Using Both Solid State and Ionization Chamber Detectors

    Energy Technology Data Exchange (ETDEWEB)

    Reynolds, T; Gerbi, B; Higgins, P [UniversityMinnesota, Minneapolis, MN (United States)

    2014-06-01

    Purpose: To compare the surface dose (SD) measured using a PTW 30-360 extrapolation chamber with different commonly used dosimeters (Ds): parallel plate ion chambers (ICs): RMI-449 (Attix), Capintec PS-033, PTW 30-329 (Markus) and Memorial; TLD chips (cTLD), TLD powder (pTLD), optically stimulated (OSLs), radiochromic (EXR2) and radiographic (EDR2) films, and to provide an intercomparison correction to Ds for each of them. Methods: Investigations were performed for a 6 MV x-ray beam (Varian Clinac 2300, 10x10 cm{sup 2} open field, SSD = 100 cm). The Ds were placed at the surface of the solid water phantom and at the reference depth dref=1.7cm. The measurements for cTLD, OSLs, EDR2 and EXR2 were corrected to SD using an extrapolation method (EM) indexed to the baseline PTW 30-360 measurements. A consistent use of the EM involved: 1) irradiation of three Ds stacked on top of each other on the surface of the phantom; 2) measurement of the relative dose value for each layer; and, 3) extrapolation of these values to zero thickness. An additional measurement was performed with externally exposed OSLs (eOSLs), that were rotated out of their protective housing. Results: All single Ds measurements overestimated the SD compared with the extrapolation chamber, except for Attix IC. The closest match to the true SD was measured with the Attix IC (− 0.1%), followed by pTLD (0.5%), Capintec (4.5%), Memorial (7.3%), Markus (10%), cTLD (11.8%), eOSL (12.8%), EXR2 (14%), EDR2 (14.8%) and OSL (26%). The EM method of correction for SD worked well for all Ds, except the unexposed OSLs. Conclusion: This EM cross calibration of solid state detectors with an extrapolation or Attix chamber can provide thickness corrections for cTLD, eOSLs, EXR2, and EDR2. Standard packaged OSLs were not found to be simply corrected.

  4. Excitation and ionization of hydrogen and helium atoms by femtosecond laser pulses: theoretical approach by Coulomb-Volkov states; Excitation et ionisation des atomes d'hydrogene et d'helium par des impulsions laser femtosecondes: approche theorique par des etats de Coulomb-Volkov

    Energy Technology Data Exchange (ETDEWEB)

    Guichard, R

    2007-12-15

    We present a theoretical approach using Coulomb-Volkov states that appears useful for the study of atomic multi-photonic processes induced by intense XUV femtosecond laser pulses. It predicts hydrogen ionization spectra when it is irradiated by laser pulses in perturbations conditions. Three ways have been investigated. Extension to strong fields when {Dirac_h}{omega} > I{sub p}: it requires to include the hydrogen ground state population, introducing it in standard Coulomb-Volkov amplitude leads to saturated multi-photonic ionization. Extension to multi-photonic transitions with {Dirac_h}{omega} < I{sub p}: new quantum paths are open by the possibility to excite the lower hydrogen bound states. Multiphoton excitation of these states is investigated using a Coulomb-Volkov approach. Extension to helium: two-photon double ionization study shows the influence of electronic correlations in both ground and final state. Huge quantity of information such as angular and energetic distributions as well as total cross sections is available. (author)

  5. Matrix-assisted laser desorption/ionization mass spectrometric analysis of poly(3,4-ethylenedioxythiophene) in solid-state dye-sensitized solar cells: comparison of in situ photoelectrochemical polymerization in aqueous micellar and organic media.

    Science.gov (United States)

    Zhang, Jinbao; Ellis, Hanna; Yang, Lei; Johansson, Erik M J; Boschloo, Gerrit; Vlachopoulos, Nick; Hagfeldt, Anders; Bergquist, Jonas; Shevchenko, Denys

    2015-04-07

    Solid-state dye-sensitized solar cells (sDSCs) are devoid of such issues as electrolyte evaporation or leakage and electrode corrosion, which are typical for traditional liquid electrolyte-based DSCs. Poly(3,4-ethylenedioxythiophene) (PEDOT) is one of the most popular and efficient p-type conducting polymers that are used in sDSCs as a solid-state hole-transporting material. The most convenient way to deposit this insoluble polymer into the dye-sensitized mesoporous working electrode is in situ photoelectrochemical polymerization. Apparently, the structure and the physicochemical properties of the generated conducting polymer, which determine the photovoltaic performance of the corresponding solar cell, can be significantly affected by the preparation conditions. Therefore, a simple and fast analytical method that can reveal information on polymer chain length, possible chemical modifications, and impurities is strongly required for the rapid development of efficient solar energy-converting devices. In this contribution, we applied matrix-assisted laser desorption/ionization mass spectrometry (MALDI MS) for the analysis of PEDOT directly on sDSCs. It was found that the PEDOT generated in aqueous micellar medium possesses relatively shorter polymeric chains than the PEDOT deposited from an organic medium. Furthermore, the micellar electrolyte promotes a transformation of one of the thiophene terminal units to thiophenone. The introduction of a carbonyl group into the PEDOT molecule impedes the growth of the polymer chain and reduces the conductivity of the final polymer film. Both the simplicity of sample preparation (only application of the organic matrix onto the solar cell is needed) and the rapidity of analysis hold the promise of making MALDI MS an essential tool for the physicochemical characterization of conducting polymer-based sDSCs.

  6. Ionization cross section of partially ionized hydrogen plasma

    Energy Technology Data Exchange (ETDEWEB)

    Baimbetov, F B; Kudyshev, Z A [Department of Physics, al - Farabi Kazakh National University, Almaty (Kazakhstan)], E-mail: Bfb77@kazsu.kz, E-mail: Z.Kudyshev@mail.ru

    2008-05-01

    In present work the electron impact ionization cross section is considered. The electron impact ionization cross section is calculated, based on pseudopotential model of interaction between plasma particles which accounts correlation effects. It is calculated with help of two methods: classical and quantum - mechanical (Born approximation). The ionization cross section is compared with corresponding results of other authors and experimental data. It has been shown that it is very important to take into account an influence of the surrounding during consideration of ionization processes.

  7. 75 FR 33824 - Pharmaceutical Products and Chemical Intermediates, Fourth Review: Advice Concerning the Addition...

    Science.gov (United States)

    2010-06-15

    ... COMMISSION Pharmaceutical Products and Chemical Intermediates, Fourth Review: Advice Concerning the Addition of Certain Products to the Pharmaceutical Appendix to the HTS AGENCY: United States International... (Commission) instituted investigation No. 332-520, Pharmaceutical Products and Chemical Intermediates,...

  8. Non-equilibrium helium ionization in an MHD simulation of the solar atmosphere

    CERN Document Server

    Golding, Thomas Peter; Carlsson, Mats

    2015-01-01

    The ionization state of the gas in the dynamic solar chromosphere can depart strongly from the instantaneous statistical equilibrium commonly assumed in numerical modeling. We improve on earlier simulations of the solar atmosphere that only included non-equilbrium hydrogen ionization by performing a 2D radiation-magneto-hydrodynamics simulation featuring non-equilibrium ionization of both hydrogen and helium. The simulation includes the effect of hydrogen Lyman-$\\alpha$ and the EUV radiation from the corona on the ionization and heating of the atmosphere. Details on code implementation are given. We obtain helium ion fractions that are far from their equilibrium values. Comparison with models with LTE ionization shows that non-equilibrium helium ionization leads to higher temperatures in wave fronts and lower temperatures in the gas between shocks. Assuming LTE ionization results in a thermostat-like behaviour with matter accumulating around the temperatures where the LTE ionization fractions change rapidly. ...

  9. Resonance-enhanced multiphoton ionization (REMPI) spectroscopy of bromobenzene and its perdeuterated isotopologue: Assignment of the vibrations of the S{sub 0}, S{sub 1}, and D{sub 0}{sup +} states of bromobenzene and the S{sub 0} and D{sub 0}{sup +} states of iodobenzene

    Energy Technology Data Exchange (ETDEWEB)

    Andrejeva, Anna; Tuttle, William D.; Harris, Joe P.; Wright, Timothy G., E-mail: Tim.Wright@nottingham.ac.uk [School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD (United Kingdom)

    2015-12-28

    We report vibrationally resolved spectra of the S{sub 1}←S{sub 0} transition of bromobenzene using resonance-enhanced multiphoton ionization spectroscopy. We study bromobenzene-h{sub 5} as well as its perdeuterated isotopologue, bromobenzene-d{sub 5}. The form of the vibrational modes between the isotopologues and also between the S{sub 0} and S{sub 1} electronic states is discussed for each species, allowing assignment of the bands to be achieved and the activity between states and isotopologues to be established. Vibrational bands are assigned utilizing quantum chemical calculations, previous experimental results, and isotopic shifts. Previous work and assignments of the S{sub 1} spectra are discussed. Additionally, the vibrations in the ground state cation, D{sub 0}{sup +}, are considered, since these have also been used by previous workers in assigning the excited neutral state spectra. We also examine the vibrations of iodobenzene in the S{sub 0} and D{sub 0}{sup +} states and comment on the previous assignments of these. In summary, we have been able to assign the corresponding vibrations across the whole monohalobenzene series of molecules, in the S{sub 0}, S{sub 1}, and D{sub 0}{sup +} states, gaining insight into vibrational activity and vibrational couplings.

  10. Bystander Effects of Ionizing Radiation

    Energy Technology Data Exchange (ETDEWEB)

    Little, John B. [Harvard T.H. Chan School of Public Health, Boston, MA (United States). Dept. of Genetics and Complex Diseases

    2017-01-17

    The objectives of this grant renewal are to provide administrative support and travel funds to allow the continued participation of the principal investigator (Dr. John B. Little) as an advisor to research initiated by several research fellows from his laboratory. The actual research will be carried out under the direction of Dr. Hatsumi Nagasawa with the collaboration of Dr. Joel Bedford at the Colorado State University, and by Drs. Edouard Azzam and Sonia de Toledo at the University of Medicine and Dentistry of New Jersey. Dr. Little will advise on the planning of experiments and development of experimental protocols, the analysis of data, and the preparation of manuscripts for publication. The Specific Aims for several of the planned experiments include: 1) to extend studies of the role of recombinational repair in the bystander effect by examining other genes in this pathway and cell lines deficient in excision repair; 2) to continue studies to determine the nature of the damage signal transmitted to bystander cells including the expression of several connexins in the bystander response, and the extent to which the enhanced oxidative metabolism observed in bystander cells may relate to the nature of the transmitted bystander signal; 3) to utilize a genome-wide approach to examine the genetic basis for the hypersensitivity to ionization we have observed in unaffected parents of patients with hereditary retinoblastoma, as well as from a group of a apparently normal individuals that show similar radiosensitivity; 4) to complete studies concerning the induction of high frequencies of cells with massive chromosome damage in clonal derivatives of p53 and p21 knockout mouse cell lines; in particular to examine the role of telomere changes in this phenomenon. Overall, the results of these studies should enhance our understanding of the risk of low dose exposures to ionizing radiation, including human populations to residential radon as well as occupational exposures.

  11. Semiquantitative assessment of focal cartilage damage at 3 T MRI: A comparative study of dual echo at steady state (DESS) and intermediate-weighted (IW) fat suppressed fast spin echo sequences

    Energy Technology Data Exchange (ETDEWEB)

    Roemer, Frank W., E-mail: froemer@bu.edu [Quantitative Imaging Center (QIC), Department of Radiology, Boston University Medical Center, Boston, MA (United States); Department of Radiology, Klinikum Augsburg, Augsburg (Germany); Kwoh, C. Kent [Division of Rheumatology and Clinical Immunology, University of Pittsburgh School of Medicine (United States); VA Pittsburgh Healthcare System (United States); Hannon, Michael J. [Division of Rheumatology and Clinical Immunology, University of Pittsburgh School of Medicine (United States); Crema, Michel D. [Quantitative Imaging Center (QIC), Department of Radiology, Boston University Medical Center, Boston, MA (United States); Moore, Carolyn E. [Department of Nutrition and Food Sciences, Texas Woman' s University (United States); Jakicic, John M. [Department of Health and Physical Activity, University of Pittsburgh (United States); Green, Stephanie M. [Division of Rheumatology and Clinical Immunology, University of Pittsburgh School of Medicine (United States); Guermazi, Ali [Quantitative Imaging Center (QIC), Department of Radiology, Boston University Medical Center, Boston, MA (United States)

    2011-11-15

    Purpose: The aim of the study was to compare semiquantitative assessment of focal cartilage damage using the dual echo at steady state (DESS)- and intermediate-weighted (IW) fat suppressed (fs) sequences at 3 T MRI. Methods: Included were 201 subjects aged 35-65 with frequent knee pain. MRI was performed with the same sequence protocol as in the Osteoarthritis Initiative (OAI): sagittal IW fs, triplanar DESS and coronal IW sequences. Cartilage status was scored according to the WORMS system using all five sequences. A total of 243 focal defects were detected. In an additional consensus reading, the lesions were evaluated side-by-side using only the sagittal DESS and IW fs sequences. Lesion conspicuity was graded from 0 to 3, intrachondral signal changes adjacent to the defect were recorded and the sequence that depicted the lesion with larger diameter was noted. Wilcoxon signed-rank tests, controlled for clustering by person, were used to examine differences between the sequences. Results: 37 (17.5%) of the scorable lesions were located in the medial tibio-femoral (TF), 48 (22.7%) in the lateral TF and 126 (59.7%) in the patello-femoral compartment. 82.5% were superficial and 17.5% full-thickness defects. Conspicuity was superior for the IW sequence (p < 0.001). The DESS sequence showed more associated intrachondral signal changes (p < 0.001). In 103 (48.8%) cases, the IW fs sequence depicted the lesions as being larger (p < 0.001). Conclusions: The IW fs sequence detected more and larger focal cartilage defects than the DESS. More intrachondral signal changes were observed with the DESS.

  12. Semiquantitative assessment of subchondral bone marrow edema-like lesions and subchondral cysts of the knee at 3T MRI: A comparison between intermediate-weighted fat-suppressed spin echo and Dual Echo Steady State sequences

    Directory of Open Access Journals (Sweden)

    Jakicic John M

    2011-09-01

    Full Text Available Abstract Background Choice of appropriate MR pulse sequence is important for any research studies using imaging-derived data. The aim of this study was to compare semiquantitative assessment of subchondral bone marrow edema-like lesions and subchondral cysts using intermediate-weighted (IW fat-suppressed (fs spin echo and Dual Echo Steady State (DESS sequences on 3 T MRI. Methods Included were 201 subjects aged 35-65 with frequent knee pain. 3T MRI was performed with the same sequence protocol as in the Osteoarthritis Initiative (OAI. In a primary reading subchondral bone marrow edema-like lesions were assessed according to the WORMS system. Two hundred subregions with such lesions were randomly chosen. The extent of subchondral bone marrow edema-like lesions was re-evaluated separately using sagittal IW fs and DESS sequences according to WORMS. Lesion size and confidence of the differentiation between subchondral bone marrow edema-like lesions and subchondral cysts located within or adjacent to them was rated from 0 to 3. Wilcoxon signed-rank tests and chi-square statistics were used to examine differences between the two sequences. Results Of 200 subchondral bone marrow edema-like lesions detected by IW fs sequence, 93 lesions (46.5% were not depicted by the DESS sequence. The IW fs sequence depicted subchondral bone marrow edema-like lesions to a larger extent than DESS (p Conclusions In direct comparison the IW fs sequence depicts more subchondral bone marrow edema-like lesions and better demonstrate the extent of their maximum size. The DESS sequence helps in the differentiation of subchondral bone marrow edema-like lesions and subchondral cysts. The IW fs sequence should be used for determination of lesion extent whenever the size of subchondral bone marrow edema-like lesions is the focus of attention.

  13. Multiple ionization in strong fields

    OpenAIRE

    Rudenko, A; Moshammer, R; Schröter, C; Zrost, K.; Feuerstein, B.; de Jesus, V.; Ullrich, J.

    2005-01-01

    Single and multiple ionization of rare gas atoms by 25 and 7 fs intense laser pulses has been studied using a "Reaction Microscope”. For single ionization of He, Ne and Ar in the tunnelling regime, surprising and distinct patterns have been observed in high-resolution low-energy electron spectra. Mechanisms of double and multiple ionization were elucidated and partly identified via recoil-ion momentum distributions and correlated electron spectra. For Ne the highly correlated “instantaneous” ...

  14. Physics of Ionized Gases

    Science.gov (United States)

    Reiss, Howard R.; Smirnov, Boris M.

    2001-03-01

    A comprehensive textbook and reference for the study of the physics of ionized gases The intent of this book is to provide deep physical insight into the behavior of gases containing atoms and molecules from which one or more electrons have been ionized. The study of these so-called plasmas begins with an overview of plasmas as they are found in nature and created in the laboratory. This serves as a prelude to a comprehensive study of plasmas, beginning with low temperature and "ideal" plasmas and extending to radiation and particle transport phenomena, the response of plasmas to external fields, and an insightful treatment of plasma waves, plasma instabilities, nonlinear phenomena in plasmas, and the study of plasma interactions with surfaces. In all cases, the emphasis is on a clear and unified understanding of the basic physics that underlies all plasma phenomena. Thus, there are chapters on plasma behavior from the viewpoint of atomic and molecular physics, as well as on the macroscopic phenomena involved in physical kinetics of plasmas and the transport of radiation and of charged particles within plasmas. With this grounding in the fundamental physics of plasmas, the notoriously difficult subjects of nonlinear phenomena and of instabilities in plasmas are then treated with comprehensive clarity.

  15. Responding to diversity: workforce intermediation in a transitioning regional economy

    OpenAIRE

    Nichola J. Lowe

    2010-01-01

    In this paper I examine workforce intermediation as a tool for regional economic transition. While most studies of workforce intermediation in the United States focus on targeted programs that work with less-advantaged socioeconomic groups, I examine strategies adopted by state-funded community colleges that have a more encompassing or universalistic mandate. Through a case study of North Carolina’s BioWork initiative I examine college-level strategies for assisting two distinct groups of job...

  16. Noise analysis of ionization kinetics in a protein ion channel

    Science.gov (United States)

    Bezrukov, Sergey M.; Kasianowicz, John J.

    1993-08-01

    We observed excess current noise generated by the reversible ionization of sites in a transmembrane protein ion channel, which is analogous to current fluctuations found recently in solid state microstructure electronic devices. Specifically the current through fully open single channels formed by Staphylococcus aureus α-toxin shows pH dependent fluctuations. We show that noise analysis of the open channel current can be used to evaluate the ionization rate constants, the number of sites participating in the ionization process, and the effect of recharging a single site on the channel conductance.

  17. Laser-Induced Ionization Efficiency Enhancement On A Filament For Thermal Ionization Mass Spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Siegfried, M. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2015-10-14

    The evaluation of trace Uranium and Plutonium isotope ratios for nanogram to femtogram material quantities is a vital tool for nuclear counter-proliferation and safeguard activities. Thermal Ionization Mass Spectrometry (TIMS) is generally accepted as the state of the art technology for highly accurate and ultra-trace measurements of these actinide ratios. However, the very low TIMS ionization yield (typically less than 1%) leaves much room for improvement. Enhanced ionization of Nd and Sm from a TIMS filament was demonstrated using wavelength resonance with a nanosecond (pulse width) laser operating at 10 Hz when light was directed toward the filament.1 For this study, femtosecond and picosecond laser capabilities were to be employed to study the dissociation and ionization mechanisms of actinides/lanthanides and measure the enhanced ionization of the metal of interest. Since the underlying chemistry of the actinide/lanthanide carbides produced and dissociated on a TIMS filament is not well understood, the experimental parameters affecting the photodissociation and photoionization with one and two laser beams were to be investigated.

  18. Welding. Performance Objectives. Intermediate Course.

    Science.gov (United States)

    Vincent, Kenneth

    Several intermediate performance objectives and corresponding criterion measures are listed for each of nine terminal objectives for an intermediate welding course. The materials were developed for a 36-week (3 hours daily) course designed to prepare the student for employment in the field of welding. Electric welding and specialized (TIG & MIG)…

  19. 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

    Science.gov (United States)

    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.

  20. Density, Velocity and Ionization Structure in Accretion-Disc Winds

    Science.gov (United States)

    Sonneborn, George (Technical Monitor); Long, Knox

    2004-01-01

    This was a project to exploit the unique capabilities of FUSE to monitor variations in the wind- formed spectral lines of the luminous, low-inclination, cataclysmic variables(CV) -- RW Sex. (The original proposal contained two additional objects but these were not approved.) These observations were intended to allow us to determine the relative roles of density and ionization state changes in the outflow and to search for spectroscopic signatures of stochastic small-scale structure and shocked gas. By monitoring the temporal behavior of blue-ward extended absorption lines with a wide range of ionization potentials and excitation energies, we proposed to track the changing physical conditions in the outflow. We planned to use a new Monte Carlo code to calculate the ionization structure of and radiative transfer through the CV wind. The analysis therefore was intended to establish the wind geometry, kinematics and ionization state, both in a time-averaged sense and as a function of time.

  1. Capturing a flavivirus pre-fusion intermediate.

    Directory of Open Access Journals (Sweden)

    Bärbel Kaufmann

    2009-11-01

    Full Text Available During cell entry of flaviviruses, low endosomal pH triggers the rearrangement of the viral surface glycoproteins to a fusion-active state that allows the release of the infectious RNA into the cytoplasm. In this work, West Nile virus was complexed with Fab fragments of the neutralizing mAb E16 and was subsequently exposed to low pH, trapping the virions in a pre-fusion intermediate state. The structure of the complex was studied by cryo-electron microscopy and provides the first structural glimpse of a flavivirus fusion intermediate near physiological conditions. A radial expansion of the outer protein layer of the virion was observed compared to the structure at pH 8. The resulting approximately 60 A-wide shell of low density between lipid bilayer and outer protein layer is likely traversed by the stem region of the E glycoprotein. By using antibody fragments, we have captured a structural intermediate of a virus that likely occurs during cell entry. The trapping of structural transition states by antibody fragments will be applicable for other processes in the flavivirus life cycle and delineating other cellular events that involve conformational rearrangements.

  2. Experiments in intermediate energy physics

    Energy Technology Data Exchange (ETDEWEB)

    Dehnhard, D.

    2003-02-28

    Research in experimental nuclear physics was done from 1979 to 2002 primarily at intermediate energy facilities that provide pion, proton, and kaon beams. Particularly successful has been the work at the Los Alamos Meson Physics Facility (LAMPF) on unraveling the neutron and proton contributions to nuclear ground state and transition densities. This work was done on a wide variety of nuclei and with great detail on the carbon, oxygen, and helium isotopes. Some of the investigations involved the use of polarized targets which allowed the extraction of information on the spin-dependent part of the triangle-nucleon interaction. At the Indiana University Cyclotron Facility (IUCF) we studied proton-induced charge exchange reactions with results of importance to astrophysics and the nuclear few-body problem. During the first few years, the analysis of heavy-ion nucleus scattering data that had been taken prior to 1979 was completed. During the last few years we created hypernuclei by use of a kaon beam at Brookhaven National Laboratory (BNL) and an electron beam at Jefferson Laboratory (JLab). The data taken at BNL for a study of the non-mesonic weak decay of the A particle in a nucleus are still under analysis by our collaborators. The work at JLab resulted in the best resolution hypernuclear spectra measured thus far with magnetic spectrometers.

  3. c-jun gene expression in human cells exposed to either ionizing radiation or hydrogen peroxide

    Energy Technology Data Exchange (ETDEWEB)

    Collart, F.R.; Horio, M.; Huberman, E.

    1993-06-01

    We investigated the role of reactive oxygen intermediates (ROIs) and protein kinase C (PKC) in radiation- and H{sub 2}O{sub 2}-evoked c-jun gene expression in human HL-205 cells. This induction of c-jun gene expression could be prevented by pretreatment of the cells with Nacetylcysteine (an antioxidant) or H7 (a PKC and PKA inhibitor) but not by HA1004, a PKA inhibitor, suggesting a role for ROls and PKC in mediating c-jun gene expression. We also investigated potential differences in c-jun gene expression in a panel of normal and tumor cells untreated or treated with ionizing radiation or H{sub 2}O{sub 2}. Treatment with radiation or H{sub 2}O{sub 2} produced a varied response, from some reduction to an increase of more than an order of magnitude in the steady-state level of c-jun mRNA. These data indicate that although induction of c-jun may be a common response to ionizing radiation and H{sub 2}O{sub 2}, this response was reduced or absent in some cell types.

  4. Electron correlation in two-photon double ionization of helium from attosecond to FEL pulses

    Energy Technology Data Exchange (ETDEWEB)

    Collins, Lee [Los Alamos National Laboratory

    2009-01-01

    We investigate the role of electron correlation in the two-photon double ionization of helium for ultrashort pulses in the extreme ultraviolet (XUV) regime with durations ranging from a hundred attoseconds to a few femtoseconds. We perform time-dependent ab initio calculations for pulses with mean frequencies in the so-called 'sequential' regime ({Dirac_h}{omega} > 54.4 eV). Electron correlation induced by the time correlation between emission events manifests itself in the angular distribution of the ejected electrons, which strongly depends on the energy sharing between them. We show that for ultrashort pulses two-photon double ionization probabilities scale non-uniformly with pulse duration depending on the energy sharing between the electrons. Most interestingly we find evidence for an interference between direct ('nonsequential') and indirect ('sequential') double photoionization with intermediate shake-up states, the strength of which is controlled by the pulse duration. This observation may provide a route towards measuring the pulse duration of x-ray free-electron laser (XFEL) pulses.

  5. Investigation of the O+allyl addition/elimination reaction pathways from the OCH(2)CHCH(2) radical intermediate.

    Science.gov (United States)

    Fitzpatrick, Benjamin L; Lau, Kai-Chung; Butler, Laurie J; Lee, Shih-Huang; Lin, Jim Jr-Min

    2008-08-28

    These experiments study the preparation of and product channels resulting from OCH(2)CHCH(2), a key radical intermediate in the O+allyl bimolecular reaction. The data include velocity map imaging and molecular beam scattering results to probe the photolytic generation of the radical intermediate and the subsequent pathways by which the radicals access the energetically allowed product channels of the bimolecular reaction. The photodissociation of epichlorohydrin at 193.3 nm produces chlorine atoms and c-OCH(2)CHCH(2) radicals; these undergo a facile ring opening to the OCH(2)CHCH(2) radical intermediate. State-selective resonance-enhanced multiphoton ionization (REMPI) detection resolves the velocity distributions of ground and spin-orbit excited state chlorine independently, allowing for a more accurate determination of the internal energy distribution of the nascent radicals. We obtain good agreement detecting the velocity distributions of the Cl atoms with REMPI, vacuum ultraviolet (VUV) photoionization at 13.8 eV, and electron bombardment ionization; all show a bimodal distribution of recoil kinetic energies. The dominant high recoil kinetic energy feature peaks near 33 kcalmol. To elucidate the product channels resulting from the OCH(2)CHCH(2) radical intermediate, the crossed laser-molecular beam experiment uses VUV photoionization and detects the velocity distribution of the possible products. The data identify the three dominant product channels as C(3)H(4)O (acrolein)+H, C(2)H(4)+HCO (formyl radical), and H(2)CO (formaldehyde)+C(2)H(3). A small signal from C(2)H(2)O (ketene) product is also detected. The measured velocity distributions and relative signal intensities at me=27, 28, and 29 at two photoionization energies show that the most exothermic product channel, C(2)H(5)+CO, does not contribute significantly to the product branching. The higher internal energy onset of the acrolein+H product channel is consistent with the relative barriers en route to

  6. Investigation of the O+allyl addition/elimination reaction pathways from the OCH2CHCH2 radical intermediate

    Science.gov (United States)

    Fitzpatrick, Benjamin L.; Lau, Kai-Chung; Butler, Laurie J.; Lee, Shih-Huang; Lin, Jim-Min, Jr.

    2008-08-01

    These experiments study the preparation of and product channels resulting from OCH2CHCH2, a key radical intermediate in the O+allyl bimolecular reaction. The data include velocity map imaging and molecular beam scattering results to probe the photolytic generation of the radical intermediate and the subsequent pathways by which the radicals access the energetically allowed product channels of the bimolecular reaction. The photodissociation of epichlorohydrin at 193.3 nm produces chlorine atoms and c-OCH2CHCH2 radicals; these undergo a facile ring opening to the OCH2CHCH2 radical intermediate. State-selective resonance-enhanced multiphoton ionization (REMPI) detection resolves the velocity distributions of ground and spin-orbit excited state chlorine independently, allowing for a more accurate determination of the internal energy distribution of the nascent radicals. We obtain good agreement detecting the velocity distributions of the Cl atoms with REMPI, vacuum ultraviolet (VUV) photoionization at 13.8 eV, and electron bombardment ionization; all show a bimodal distribution of recoil kinetic energies. The dominant high recoil kinetic energy feature peaks near 33 kcal/mol. To elucidate the product channels resulting from the OCH2CHCH2 radical intermediate, the crossed laser-molecular beam experiment uses VUV photoionization and detects the velocity distribution of the possible products. The data identify the three dominant product channels as C3H4O (acrolein)+H, C2H4+HCO (formyl radical), and H2CO (formaldehyde)+C2H3. A small signal from C2H2O (ketene) product is also detected. The measured velocity distributions and relative signal intensities at m/e=27, 28, and 29 at two photoionization energies show that the most exothermic product channel, C2H5+CO, does not contribute significantly to the product branching. The higher internal energy onset of the acrolein+H product channel is consistent with the relative barriers en route to each of these product channels

  7. [Fe II] jets from intermediate-mass protostars in Carina

    CERN Document Server

    Reiter, Megan; Bally, John

    2016-01-01

    We present new HST/WFC3-IR narrowband [Fe II] images of protostellar jets in the Carina Nebula. Combined with 5 previously published sources, we have a sample of 18 jets and 2 HH objects. All of the jets we targeted with WFC3 show bright infrared [Fe II] emission, and a few H$\\alpha$ candidate jets are confirmed as collimated outflows based on the morphology of their [Fe II] emission. Continuum-subtracted images clearly separate jet emission from the adjacent ionization front, providing a better tracer of the collimated jet than H$\\alpha$ and allowing us to connect these jets with their embedded driving sources. The [Fe II] 1.64 $\\mu$m/H$\\alpha$ flux ratio measured in the jets is $\\gtrsim 5$ times larger than in the adjacent ionization fronts. The low-ionization jet core requires high densities to shield Fe$^+$ against further ionization by the FUV radiation from O-type stars in the H II region. High jet densities imply high mass-loss rates, consistent with the intermediate-mass driving sources we identify fo...

  8. Highly Ionized Envelopes of High Velocity Clouds

    CERN Document Server

    Zekis, Erin E

    2009-01-01

    We present recent results on highly ionized gas in Galactic High-Velocity Clouds (HVCs), originally surveyed in OVI (Sembach et al. 2003). In a new FUSE/HST survey of SiII/III/IV (Shull et al. 2009) toward 37 AGN, we detected SiIII (lambda 1206.500 A) absorption with a sky coverage fraction 81 +/- 5% (61 HVCs along 30 of 37 high-latitude sight lines). The SiIII (lambda 1206.500 A) line is typically 4-5 times stronger than OVI (lambda 1031.926 A). The mean HVC column density of perhaps 10^19 cm^-2 of low-metallicity (0.1 - 0.2 Z_sun) ionized gas in the low halo. Recent determinations of HVC distances allow us to estimate a total reservoir of ~10^8 M_sun. Estimates of infall velocities indicate an infall rate of around 1 M_sun yr^-1, comparable to the replenishment rate for star formation in the disk. HVCs appear to be sheathed by intermediate-temperature gas (10^4.0 - 10^4.5 K) detectable in SiIII and SiIV, as well as hotter gas seen in OVI and other high ions. To prepare for HST observations of 10 HVC-selecte...

  9. Cross sections for short pulse single and double ionization ofhelium

    Energy Technology Data Exchange (ETDEWEB)

    Palacios, Alicia; Rescigno, Thomas N.; McCurdy, C. William

    2007-11-27

    In a previous publication, procedures were proposed for unambiguously extracting amplitudes for single and double ionization from a time-dependent wavepacket by effectively propagating for an infinite time following a radiation pulse. Here we demonstrate the accuracy and utility of those methods for describing two-photon single and one-photon double ionization of helium. In particular it is shown how narrow features corresponding to autoionizing states are easily resolved with these methods.

  10. Two-photon ionization of atomic hydrogen with elliptically polarized light

    Science.gov (United States)

    Kassaee, A.; Rustgi, M. L.; Long, S. A. T.

    1988-01-01

    The theory of two-photon ionization of a hydrogenic state in the nonrelativistic dipole approximation is generalized for elliptically polarized light. An application to the metastable 2S state of atomic hydrogen is made. Significant differences in the angular distribution of the outgoing electrons are found depending upon the polarization of the photons. It is claimed that two-photon ionization employing elliptically polarized photons from lasers may provide an additional test for the theories of multiphoton ionization.

  11. Impact of dissolved organic matter on the photolysis of the ionizable antibiotic norfloxacin

    Institute of Scientific and Technical Information of China (English)

    Chen Liang; Huimin Zhao; Minjie Deng; Xie Quan; Shuo Chen; Hua Wang

    2015-01-01

    Norfloxacin (NOR),an ionizable antibiotic frequently used in the aquaculture industry,has aroused public concern due to its persistence,bacterial resistance,and environmental ubiquity.Therefore,we investigated the photolysis of different species of NOR and the impact of a ubiquitous component of natural water-dissolved organic matter (DOM),which has a special photochemical activity and normally acts as a sensitizer or inhibiter in the photolysis of diverse organics; furthermore,scavenging experiments combined with electron paramagnetic resonance (EPR) were performed to evaluate the transformation of NOR in water.The results demonstated that NOR underwent direct photolysis and self-sensitized photolysis via hydroxyl radical (·OH) and singlet oxygen (1O2) based on the scavenging experiments.In addition,DOM was found to influence the photolysis of different NOR species,and its impact was related to the concentration of DOM and type of NOR species.Photolysis of cationic NOR was photosensitized by DOM at low concentration,while zwitterionic and anionic NOR were photoinhibited by DOM,where quenching of ·OH predominated according to EPR experiments,accompanied by possible participation of excited triplet-state NOR and 1O2.Photo-intermediate identification of different NOR species in solutions with/without DOM indicated that NOR underwent different photodegradation pathways including dechlorination,cleavage of the piperazine side chain and photooxidation,and DOM had little impact on the distribution but influenced the concentration evolution of photolysis intermediates.The results implied that for accurate ecological risk assessment of emerging ionizable pollutants,the impact of DOM on the environmental photochemical behavior of all dissociated species should not be ignored.

  12. Impact of dissolved organic matter on the photolysis of the ionizable antibiotic norfloxacin.

    Science.gov (United States)

    Liang, Chen; Zhao, Huimin; Deng, Minjie; Quan, Xie; Chen, Shuo; Wang, Hua

    2015-01-01

    Norfloxacin (NOR), an ionizable antibiotic frequently used in the aquaculture industry, has aroused public concern due to its persistence, bacterial resistance, and environmental ubiquity. Therefore, we investigated the photolysis of different species of NOR and the impact of a ubiquitous component of natural water - dissolved organic matter (DOM), which has a special photochemical activity and normally acts as a sensitizer or inhibiter in the photolysis of diverse organics; furthermore, scavenging experiments combined with electron paramagnetic resonance (EPR) were performed to evaluate the transformation of NOR in water. The results demonstated that NOR underwent direct photolysis and self-sensitized photolysis via hydroxyl radical (OH) and singlet oxygen ((1)O2) based on the scavenging experiments. In addition, DOM was found to influence the photolysis of different NOR species, and its impact was related to the concentration of DOM and type of NOR species. Photolysis of cationic NOR was photosensitized by DOM at low concentration, while zwitterionic and anionic NOR were photoinhibited by DOM, where quenching of OH predominated according to EPR experiments, accompanied by possible participation of excited triplet-state NOR and (1)O2. Photo-intermediate identification of different NOR species in solutions with/without DOM indicated that NOR underwent different photodegradation pathways including dechlorination, cleavage of the piperazine side chain and photooxidation, and DOM had little impact on the distribution but influenced the concentration evolution of photolysis intermediates. The results implied that for accurate ecological risk assessment of emerging ionizable pollutants, the impact of DOM on the environmental photochemical behavior of all dissociated species should not be ignored. Copyright © 2014. Published by Elsevier B.V.

  13. Multiphoton ionization of Uracil

    Science.gov (United States)

    Prieto, Eladio; Martinez, Denhi; Guerrero, Alfonso; Alvarez, Ignacio; Cisneros, Carmen

    2016-05-01

    Multiphoton ionization and dissociation of Uracil using a Reflectron time of flight spectrometer was performed along with radiation from the second harmonic of a Nd:YAG laser. Uracil is one of the four nitrogen bases that belong to RNA. The last years special interest has been concentrated on the study of the effects under UV radiation in nucleic acids1 and also in the role that this molecule could have played in the origin and development of life on our planet.2 The MPI mass spectra show that the presence and intensity of the resulting ions strongly depend on the density power. The identification of the ions in the mass spectra is presented. The results are compared with those obtained in other laboratories under different experimental conditions and some of them show partial agreement.3 The present work was supported by CONACYT-Mexico Grant 165410 and DGAPA UNAM Grant IN101215 and IN102613.

  14. Applications of ionizing radiations

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2014-07-01

    Developments in standard applications and brand new nuclear technologies, with high impact on the future of the agriculture, medicine, industry and the environmental preservation. The Radiation Technology Center (CTR) mission is to apply the radiation and radioisotope technologies in Industry, Health, Agriculture, and Environmental Protection, expanding the scientific knowledge, improving human power resources, transferring technology, generating products and offering services for the Brazilian society. The CTR main R and D activities are in consonance with the IPEN Director Plan (2011-2013) and the Applications of Ionizing Radiation Program, with four subprograms: Irradiation of Food and Agricultural Products; Radiation and Radioisotopes Applications in Industry and Environment; Radioactive Sources and Radiation Applications in Human Health; and Radioactive Facilities and Equipment for the Applications of Nuclear Techniques.

  15. Spectroscopic studies on technetium and silicon. A solid-state laser system for the resonance-ionization spectroscopy; Spektroskopische Untersuchungen an Technetium und Silizium. Ein Festkoerperlasersystem fuer die Resonanzionisationsspektroskopie

    Energy Technology Data Exchange (ETDEWEB)

    Mattolat, Christoph

    2010-11-15

    This doctoral thesis describes advancement and refinement of the titanium:sapphire laser system of the working group LARISSA, Institut fuer Physik, Johannes Gutenberg- Universitaet Mainz and its application to resonance ionization spectroscopy. Activities on the laser systems comprised three major tasks: The output power of the conventional titanium:sapphire lasers could be increased by a factor of two in order to match the needs at resonance ionization laser ion source at ISOL facilities. Additionally, the laser system was complemented by a titanium:sapphire laser in Littrow geometry, which ensures a mode-hop free tuning range from 700 nm to 950 nm, and by an injection seeded titanium:sapphire laser with a spectral width of 20 MHz (in respect to a spectral width of 3 GHz for the conventional lasers). The performance of the new laser system was tested in spectroscopic investigations of highly excited atomic levels of gold and technetium. From the measured level positions the ionization potential of gold could be verified by using the Rydberg-Ritz formula, while the ionization potential of technetium could be determined precisely for the first time. Using the seeded titanium: sapphire laser Doppler-free two-photon spectroscopy inside a hot ionizer cavity was demonstrated. A width of the recorded resonances of 90 MHz was achieved and the hyperfine structure and isotope shift of stable silicon isotopes was well resolved with this method. (orig.)

  16. Formation of deeply bound LiRb molecules via photoassociation to near asymptotic states

    Science.gov (United States)

    Lorenz, John D.

    We present the results of a spectroscopic study LiRb molecules created via photoassociation (PA) to vibration levels of the 4(1) potential. Atoms are first cooled and trapped in a dual species 7Li/ 85Rb magneto-optical trap (MOT) at temperatures of ≈ 1 mK or less. In a cold sample of sufficient density, PA occurs when a resonant laser field induces a free-bound transition to create molecules in an excited electronic potential. After spontaneous emission the molecules decay to a mixture of free atoms and bound molecules depending on the Franck-Condon factors (FCFs) of the excited and ground state vibrational wavefunctions. While excited LiRb * has been previously detected by trap loss fluorescence detection, ionization spectroscopy is required to determine the population of ground state levels after decay. We detect ground state molecules via resonantly enhanced multiphoton ionization (REMPI) where a two photon ionization transition is enhanced by an intermediate resonance. The intermediate resonances match progressions from the D1pi and possibly B1Π potentials, many of which have known energies obtained from previous heat pipe experiments. This is contrary to the expectation that weakly bound LiRb * should primarily decay to weakly bound levels of the ground state and could point to a possible path for creating molecules in the rovibronic ground state.

  17. Tunnel ionization, population trapping, filamentation and applications

    Science.gov (United States)

    Leang Chin, See; Xu, Huailiang

    2016-11-01

    The advances in femtosecond Ti-sapphire laser technology have led to the discovery of a profusion of new physics. This review starts with a brief historical account of the experimental realization of tunnel ionization, followed by high harmonic generation and the prediction of attosecond pulses. Then, the unique phenomenon of dynamic population trapping during the ionization of atoms and molecules in intense laser fields is introduced. One of the consequences of population trapping in the highly excited states is the neutral dissociation into simple molecular fragments which fluoresce. Such fluorescence could be amplified in femtosecond laser filamentation in gases. The experimental observations of filament-induced fluorescence and lasing in the atmosphere and combustion flames are given. Excitation of molecular rotational wave packets (molecular alignment) and their relaxation and revival in a gas filament are described. Furthermore, filament-induced condensation and precipitation inside a cloud chamber is explained. Lastly, a summary and future outlook is given.

  18. Satellite lines at the ionization threshold in charge transfer systems

    Science.gov (United States)

    Wardermann, W.; von Niessen, W.

    1992-01-01

    This article deals with the possibility of low-energy ionizations of reduced intensity for larger organic molecules. Possible mechanisms which may lead to this phenomenon are outlined and the necessary structural features are discussed. The lowest ionization energies of some organic unsaturated nitro and nitroso compounds are calculated by the ADC(3) ab initio many-body Green's function method. The π-electron system consists either of fused five- and six-membered rings or of two fused five-membered rings with a variable number of heteroatoms. Some of the molecules contain exocylic double bonds and some are substituted with the donor groups -NH 2, -OH and -NHOH. The strongest many-body effects are found for the nitroso compounds, where in one case the spectral line at the ionization threshold has lost more than 40% of its intensity to satellites. We study the many-body effects at or close to the ionization threshold for these compounds. A particular mechanism which involves the screening of localized valence holes by charge transfer excitations appears to be capable of influencing the profile and intensities of the ionization spectrum already at the ionization threshold. The effect leads to strongly reduced relative intensities of the bands and may cause the appearance of satellite bands nearly at the ionization threshold. The spectral changes in the outermost valence region are discussed by using a simple model calculation in terms of ground-state electronic properties of the molecules.

  19. Weak Interaction Neutron Production Rates in Fully Ionized Plasmas

    CERN Document Server

    Widom, A; Srivastava, Y N

    2013-01-01

    Employing the weak interaction reaction wherein a heavy electron is captured by a proton to produce a neutron and a neutrino, the neutron production rate for neutral hydrogen gases and for fully ionized plasmas is computed. Using the Coulomb atomic bound state wave functions of a neutral hydrogen gas, our production rate results are in agreement with recent estimates by Maiani {\\it et al}. Using Coulomb scattering state wave functions for the fully ionized plasma, we find a substantially enhanced neutron production rate. The scattering wave function should replace the bound state wave function for estimates of the enhanced neutron production rate on water plasma drenched cathodes of chemical cells.

  20. Being back home after intermediate care

    DEFF Research Database (Denmark)

    Martinsen, Bente; Harder, Ingegerd; Norlyk, Annelise

    2015-01-01

    Older people may face many challenges and experience insecurity after discharge from hospital to home. To bridge the potential gap between general hospital and home, the concept ‘Intermediate Care’ (IC) was developed at the beginning of 2000. IC aims to safeguard older people from being discharged....... Transcripts were analysed using a phenomenological approach. The essential meaning of being back home after a stay in an IC unit was characterised by ‘uncertainty’. Four constituents emerged: ‘in a state of shock about coming home’, ‘dependence on informal helpers’, ‘a sense of isolation’, and ‘fear of losing...... functional ability permanently’. Key words: intermediate care, older people, discharge, interview, phenomenology...

  1. The $d \\: ^3 \\Pi$ state of LiRb

    CERN Document Server

    Stevenson, I; Altaf, A; Chen, Y P; Elliott, D S

    2016-01-01

    We report our spectroscopic studies of the $d \\ ^3\\Pi$ state of ultra-cold $^7$Li$^{85}$Rb using resonantly-enhanced multi-photon ionization and depletion spectroscopy with bound-to-bound transitions originating from the metastable $a \\ ^3\\Sigma^+$ state. We evaluate the potential of this state for use as the intermediate state in a STIRAP transfer scheme from triplet Feshbach LiRb molecules to the $X \\ ^1\\Sigma^+$ ground state, and find that the lowest several vibrational levels possess the requisite overlap with initial and final states, as well as convenient energies. Using depletion measurements, we measured the well depth and spin-orbit splitting. We suggest possible pathways for short-range photoassociation using deeply-bound vibrational levels of this electronic state.

  2. The rise of an ionized wind in the Narrow Line Seyfert 1 Galaxy Mrk 335 observed by XMM-Newton and HST

    CERN Document Server

    Longinotti, A L; Kriss, G; Ely, J; Gallo, L; Grupe, D; Komossa, S; Mathur, S; Pradhan, A

    2013-01-01

    We present the discovery of an outflowing ionized wind in the Seyfert 1 Galaxy Mrk 335. Despite having been extensively observed by most of the largest X-ray observatories in the last decade, this bright source was not known to host warm absorber gas until recent XMM-Newton observations in combination with a long-term Swift monitoring program have shown extreme flux and spectral variability. High resolution spectra obtained by the XMM-Newton RGS detector reveal that the wind consists of three distinct ionization components, all outflowing at a velocity of 5000 km/s. This wind is clearly revealed when the source is observed at an intermediate flux state (2-5e-12 ergs cm^-2 s^-1). The analysis of multi-epoch RGS spectra allowed us to compare the absorber properties at three very different flux states of the source. No correlation between the warm absorber variability and the X-ray flux has been determined. The two higher ionization components of the gas may be consistent with photoionization equilibrium, but we...

  3. Electron impact ionization of Ar/sup 8 +/

    Energy Technology Data Exchange (ETDEWEB)

    Defrance, P.; Rachafi, S.; Jureta, J.; Meyer, F.; Chantrenne, S.

    1986-01-01

    Absolute electron impact ionization cross-sections have been measured for the Neon-like Ar/sup 8 +/ in the energy range from below the threshold for the metastable state to 2500 eV. No contribution of metastable states is observed. The results are well reproduced by the Distorted Wave Born Approximation. 12 refs., 1 fig.

  4. A simplified method for identification of the vibrational series of long-range states in Na{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Vivanco, F.J.; Paiva, R.R. de; Pedrozo-Peñafiel, E.; Farias, K.M.; Bagnato, V.S., E-mail: franklinze@gmail.com [Universidade de Sao Paulo (USP), Sao Carlos, SP (Brazil). Instituto de Fisica

    2015-06-15

    We performed two-color photoassociative ionization experiments in cold sodium atoms in a dark MOT. We produce a sample where most of the atoms were in the ground hyperfine state F=1. Applying a laser with variable frequency, in the region of 0 to - 32 GHz, we obtained a photoassociative spectra containing sequences of different long-range potentials. Using the scaling law for intermediate states, we identified the vibrational series of involved states, separating the sequences. In this way, we have identified the vibrational series for the 1{sub g}, 0{sup +}{sub u}, and 0{sup -}{sub g} states contributions. (author)

  5. Selective enhancement of resonant multiphoton ionization with strong laser fields

    CERN Document Server

    Li, Min; Luo, Siqiang; Zhou, Yueming; Zhang, Qingbin; Lan, Pengfei; Lu, Peixiang

    2015-01-01

    High-resolution photoelectron momentum distributions of Xe atom ionized by 800-nm linearly polarized laser fields have been traced at intensities from 1.1*1013 W/cm2 to 3.5*1013 W/cm2 using velocity-map imaging techniques. At certain laser intensities, the momentum spectrum exhibits a distinct double-ring structure for low-order above-threshold ionization, which appears to be absent at lower or higher laser intensities. By investigating intensity-resolved photoelectron energy spectrum, we find that this double-ring structure originates from resonant multiphoton ionization involving multiple Rydberg states of atoms. Varying the laser intensity, we can selectively enhance multiphoton excitation of atomic Rydberg populations. The photoelectron angular distributions of multiphoton resonance are also investigated for the low-order above threshold ionization.

  6. Vertical ionization energies of halogen anions in solution

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    Based on the constrained equilibrium state theory,the nonequilibrium solvation energy is derived in the framework of the continuum model.The formula for spectral shift and vertical ionization energy are deduced for a single sphere cavity with the point charge assumption.The new model is adopted to investigate the vertical ionization for halogen atomic and molecular anions X(X = Cl,Br,I,Cl2,Br2,I2) in aqueous solution.According to the calculation using the CCSD-t/aug-cc-pVQZ method in vacuum,our final estimated vertical ionization energies in solution are very close to the experimental observations,while the traditional nonequilibrium solvation theory overestimates these vertical ionization energies.

  7. The Thermodynamical Instability Induced by Pressure Ionization in Fluid Helium

    CERN Document Server

    Li, Qiong; Zhang, Gong-Mu; Zhao, Yan-Hong; Lu, Guo; Tian, Ming-Feng; Song, Hai-Feng

    2016-01-01

    A systematic study of pressure ionization is carried out in the chemical picture by the example of fluid helium. By comparing the variants of the chemical model, it is demonstrated that the behavior of pressure ionization depends on the construction of the free energy function. In the chemical model with the Coulomb free energy described by the Pad\\'e interpolation formula, thermodynamical instability induced by pressure ionization is found to be manifested by a discontinuous drop or a continuous fall and rise along the pressure-density curve as well as the pressure-temperature curve, which is very much like the first order liquid-liquid phase transition of fluid hydrogen from the first principles simulations. In contrast, in the variant chemical model with the Coulomb free energy term empirically weakened, no thermodynamical instability is induced when pressure ionization occurs, and the resulting equation of state achieves good agreement with the first principles simulations of fluid helium.

  8. Ionization Chamber Measures Extreme Ultraviolet

    Science.gov (United States)

    Carlson, Robert W.

    1987-01-01

    Ionization chamber operates in nearly total photon absorption as stable, self-calibrating detector of ionizing extreme ultraviolet radiation. Working gas of instrument is neon; photoionization properties well known and readily applicable to absolute measurements. Designed for measurements of solar ultraviolet flux aboard sounding rocket, instrument used on Earth to measure ultraviolet radiation in vacuum systems. Ionization chamber collects positive neon ions and electrons produced by irradiation of neon gas by ultraviolet photons. Approximately one ion produced by each photon; consequently, photoionization current nearly proportional to photon flux.

  9. Photoionization effects in ionization fronts

    Energy Technology Data Exchange (ETDEWEB)

    Arrayas, Manuel [Departamento de Electromagnetismo, Universidad Rey Juan Carlos, Tulipan s/n, 28933 Mostoles, Madrid (Spain); Fontelos, Marco A [Departamento de Matematicas, Instituto de Matematicas y Fisica Fundamental, Consejo Superior de Investigaciones CientIficas, C/Serrano 123, 28006 Madrid (Spain); Trueba, Jose L [Departamento de Electromagnetismo, Universidad Rey Juan Carlos, Tulipan s/n, 28933 Mostoles, Madrid (Spain)

    2006-12-21

    In this paper we study the effects of photoionization processes on the propagation of both negative and positive ionization fronts in streamer discharge. We show that negative fronts accelerate in the presence of photoionization events. The appearance and propagation of positive ionization fronts travelling with constant velocity is explained as the result of the combined effects of photoionization and electron diffusion. The photoionization range plays an important role in the selection of the velocity of the ionization front as we show in this work.

  10. Multiple ionization of neon induced by Li3+ and C3+ projectiles: influence of projectile screening in the ionization and electron capture channels

    Science.gov (United States)

    Ihani, J. S.; Luna, H.; Wolff, W.; Montenegro, E. C.

    2013-06-01

    Neq + (q = 1,2,3,4) ionization and charge exchange cross sections (total electron capture, single electron capture and transfer ionization) in the collisions with Li3+, with energies between 100 and 900 keV amu-1, and C3+, with energies between 250 and 500 keV amu-1 are reported. Bare Li3+ projectiles give a key benchmark to study the role of projectile screening in collisions involving dressed projectile ions, and the measurements have shown a strong screening effect for all n-fold recoil ion charge states in the ionization channel which, unexpectedly, does not appear for transfer ionization.

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

    Energy Technology Data Exchange (ETDEWEB)

    Schultz, D.R.; Krstic, P.S. [Oak Ridge National Lab. TN (United States). Physics Div.

    1997-01-01

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

  12. Gulf of Maine intermediate water

    Energy Technology Data Exchange (ETDEWEB)

    Hopkins, T.S. (Brookhaven National Lab., Upton, NY); Garfield, N. III

    1979-01-01

    The thermohaline dynamics of the Gulf of Maine are analyzed from the two year, eight cruise, data set of Colton, Marak, Nickerson, and Stoddard (1968). Six water masses are described: the Maine Surface Water, Maine Intermediate Water, and the Maine Bottom Water as interior water masses; and the Scotian Shelf Water, the Slope Water, and the Georges Bank Water as exterior water masses. Particular attention is given to the formation and disposition of the Maine Intermediate Water. Salt balance, T-S volume, and T-S drift analyses are used to provide transport and mixing estimates for the year 1966. The Slope Water entered at depth through the Northeast Channel at a rate of 2600 km/sup 3//yr; while the Scotian Shelf Water entered the surface and intermediate layers, mostly during winter intrusions, at a rate of 5200 km/sup 3//yr. The surface and intermediate layers exported a total of 7900 km/sup 3//yr in a 3:5 ratio, respectively. The Maine Intermediate Water tends to collect over the Wilkinson Basin during the stratified season, to exit via the Great South Channel during early spring, and to exit via the Northeast Channel during spring and summer. Comparisons are made between the estimated winter heat loss of 280 Ly/d and the observed heat losses of 230 Ly/d (surface layers) and 360 Ly/d (surface and intermediate layers). A limit for the Scotian Shelf Water contribution is about -70 Ly/d. It is concluded that the Maine Intermediate Water is produced locally and that it is exported in significant quantities.

  13. Neutral Resonant Ionization in Hydrogen Anion Production

    Science.gov (United States)

    Vogel, John

    2013-09-01

    Dissociative ionization of molecules causes gas phase H- but fails to explain anion intensity. Atomic collisions on surfaces with reduced work function give anions, but also fail to explain intensity, lowered electron density, and diagnostics. Neutral resonant ionization of H(2s) atoms to ion pairs is here predicted with a very high cross section. H(2s,p) atoms are resonant with numerous short-lived excited states (``resonances'') of H- as well as the putative doubly-excited stable state of H- which resists production by other means. This state decays through 1Σu+ (2s σu2) to a singly excited ion pair, leaving both proton and anion with 3.8 eV energy. H(2s,p) atoms arise from dissociative recombination of trihydrogen ion (H3+)which dominates ion content of hydrogen plasmas. Initial H(2s,p) are resonantly produced by ground state Cs atoms or excited Ar, Kr, and Xe atoms, but these initiators are not needed to sustain anion production. This theory may explain the intense ion source at Cal Tech that produced 1.5 mA/cm2 H3 in the mid-1980's (1). A full CRM calculation is not complete, but equilibrium calculations suggest that >1 mA/cm2 H- may be predicted.

  14. The Search for Highly Ionizing Particles in e$^{+}$e$^{-}$ Collisions at LEP using (MODAL) (MOnopole Detector At Lep)

    CERN Multimedia

    2002-01-01

    The experiment is designed to search for highly ionizing particles such as the monopole and the dyon. On the assumption that monopole-antimonopole pairs are produced via a virtual photon intermediate state, and have a mass in the range 0-100~GeV, a direct search for Dirac monopoles using e$^+$e$^-$ annihilation carries a distinct cross-sectional advantage over a search using hadron colliders.\\\\ \\\\ The MODAL detector is formed from Lexan/CR-39 dielectric track detector modules arranged in a polyhedral configuration outside of the vacuum pipe and around the intersection region, as shown on the opposite page. Etchable track detectors are more sensitive to particles at normal incidence, the shape of the detector was chosen with this fact in mind to allow for maximum acceptance of monopoles which leave the beam pipe. These dielectric track detectors will enable us to detect particles with magnetic charge: 20e$<$g$ _{d}

  15. Ionization of impurities in silicon

    Science.gov (United States)

    Kuźmicz, Wiesław

    1986-12-01

    A model for calculation of the percentage of ionized dopant atoms as a function of the doping concentration and temperature is proposed. The results are compared with experiment. Analytical approximations that facilitate practical applications of the model are given.

  16. Strong Ionization in carbon Nanowires

    CERN Document Server

    Kaymak, Vural; Shlyaptsev, Vyacheslav N; Rocca, Jorge J

    2015-01-01

    Surfaces covered with nanostructures, such as nanowire arrays, have shown to facilitate a significantly higher absorption of laser energy as compared to flat surfaces. Due to the efficient coupling of the laser energy, highly energetic electrons are produced, which in turn can emit intense ultrafast X-ray pulses. In the present work we use full three dimensional PIC simulations to analyze the behavior of arrays of carbon nanowires $400 nm$ in diameter, irradiated by a $\\lambda_0 = 400 nm$ laser pulse of $60 fs$ duration at FWHM and a vector potential of $a_0 = 18$. We analyze the ionization dynamics of the nanowires. We investigate the difference of the ionization strength and structure between linearly and circularly polarized laser beam. The nanowires are found to be fully ionized after about 30 laser cycles. Circularly polarized light reveals a slightly stronger ionization effect.

  17. Resonance Ionization Laser Ion Sources

    CERN Document Server

    Marsh, B

    2013-01-01

    The application of the technique of laser resonance ionization to the production of singly charged ions at radioactive ion beam facilities is discussed. The ability to combine high efficiency and element selectivity makes a resonance ionization laser ion source (RILIS) an important component of many radioactive ion beam facilities. At CERN, for example, the RILIS is the most commonly used ion source of the ISOLDE facility, with a yearly operating time of up to 3000 hours. For some isotopes the RILIS can also be used as a fast and sensitive laser spectroscopy tool, provided that the spectral resolution is sufficiently high to reveal the influence of nuclear structure on the atomic spectra. This enables the study of nuclear properties of isotopes with production rates even lower than one ion per second and, in some cases, enables isomer selective ionization. The solutions available for the implementation of resonance laser ionization at radioactive ion beam facilities are summarized. Aspects such as the laser r...

  18. NON-EQUILIBRIUM HELIUM IONIZATION IN AN MHD SIMULATION OF THE SOLAR ATMOSPHERE

    Energy Technology Data Exchange (ETDEWEB)

    Golding, Thomas Peter; Carlsson, Mats [Institute of Theoretical Astrophysics, University of Oslo, P.O. Box 1029 Blindern, NO-0315 Oslo (Norway); Leenaarts, Jorrit, E-mail: thomas.golding@astro.uio.no, E-mail: mats.carlsson@astro.uio.no, E-mail: jorrit.leenaarts@astro.su.se [Institute for Solar Physics, Department of Astronomy, Stockholm University, AlbaNova University Centre, SE-106 91 Stockholm (Sweden)

    2016-02-01

    The ionization state of the gas in the dynamic solar chromosphere can depart strongly from the instantaneous statistical equilibrium commonly assumed in numerical modeling. We improve on earlier simulations of the solar atmosphere that only included non-equilibrium hydrogen ionization by performing a 2D radiation-magnetohydrodynamics simulation featuring non-equilibrium ionization of both hydrogen and helium. The simulation includes the effect of hydrogen Lyα and the EUV radiation from the corona on the ionization and heating of the atmosphere. Details on code implementation are given. We obtain helium ion fractions that are far from their equilibrium values. Comparison with models with local thermodynamic equilibrium (LTE) ionization shows that non-equilibrium helium ionization leads to higher temperatures in wavefronts and lower temperatures in the gas between shocks. Assuming LTE ionization results in a thermostat-like behavior with matter accumulating around the temperatures where the LTE ionization fractions change rapidly. Comparison of DEM curves computed from our models shows that non-equilibrium ionization leads to more radiating material in the temperature range 11–18 kK, compared to models with LTE helium ionization. We conclude that non-equilibrium helium ionization is important for the dynamics and thermal structure of the upper chromosphere and transition region. It might also help resolve the problem that intensities of chromospheric lines computed from current models are smaller than those observed.

  19. Isomerization Intermediates In Solution Phase Photochemistry Of Stilbenes

    Science.gov (United States)

    Doany, F. E.; Hochstrasser, R. M.; Greene, B. I.

    1985-04-01

    Picosecond and subpicosecond spectroscopic studies have revealed evidence for an isomerization intermediate between cis and trans in the photoinduced isomerism of both stilbene and biindanyledene ("stiff" stilbene). In stiff stilbene, a transient absorption at 351 nm displays time evolution and viscosity dependence consistent with absorption by a twisted intermediate ("phantom" state) with a lOps lifetime. An analagous bottleneck state with a life-time of 4ps is also consistent with the ground state recovery dynamics of t-stilbene following excitation of c-stilbene when monitored with 0.1ps resolution.

  20. Molecular dynamics of dissociative ionization in OCS probed by soft X-ray synchrotron radiation

    CERN Document Server

    Ramadhan, Ali; Gauthier, Isabelle; Karimi, Reza; MacDonald, Michael; Zuin, Lucia; Sanderson, Joe

    2016-01-01

    Soft X-rays (90-173 eV) from the 3rd generation Canadian Light Source have been used in conjunction with a multi coincidence time and position sensitive detection apparatus to observe the dissociative ionization of OCS. By varying the X-ray energy we can compare dynamics from direct and Auger ionization processes, and access ionization channels which result in two or three body breakup, from 2+ to 4+ ionization states. We make several new observations for the 3+ state such as kinetic energy release limited by photon energy, and using Dalitz plots we can see evidence of timescale effects between the direct and Auger ionization process for the first time. Finally, using Dalitz plots for OCS$^{4+}$ we observe for the first time that breakup involving an O$^{2+}$ ion can only proceed from out of equilibrium nuclear arrangement for S(2p) Auger ionization.

  1. Upper Bound to the Ionization Energy of 85Rb2

    CERN Document Server

    Bellos, M A; Banerjee, J; Ascoli, M; Allouche, A -R; Eyler, E E; Gould, P L; Stwalley, W C

    2013-01-01

    We report an upper bound to the ionization energy of 85Rb2 of 31348.0(6) cm-1, which also provides a lower bound to the dissociation energy D0 of 85Rb2+ of 6307.5(6) cm-1. These bounds were measured by the onset of autoionization of excited states of 85Rb2 below the 5s+7p atomic limit. We form 85Rb2 molecules via photoassociation of ultracold 85Rb atoms, and subsequently excite the molecules by single-photon ultraviolet transitions to states above the ionization threshold.

  2. The Effects of the Ionizing Radiation Background on Galaxy Evolution

    CERN Document Server

    Hambrick, D Clay; Naab, Thorsten; Johansson, Peter H

    2009-01-01

    We find that the amount and nature of the assumed ionizing background can strongly affect galaxy formation and evolution. Galaxy evolution simulations typically incorporate an ultraviolet background which falls off rapidly above z=3; e.g., that of Haardt & Madau (1996). However, this decline may be too steep to fit the WMAP constraints on electron scattering optical depth or observations of intermediate redshift (z ~ 2-4) Ly-alpha forest transmission. As an alternative, we present simulations of the cosmological formation of individual galaxies with UV backgrounds that decline more slowly at high redshift: both a simple intensity rescaling and the background recently derived by Faucher-Giguere (2009), which softens the spectrum at higher redshifts. We also test an approximation of the X-ray background with a similar z-dependence. We find for the test galaxies that an increase in either the intensity or hardness of ionizing radiation generically pushes star formation towards lower redshifts: although overa...

  3. Organophosphate Poisoning and Intermediate Syndrome

    Directory of Open Access Journals (Sweden)

    Mustafa Yilmaz

    2016-03-01

    Full Text Available Toxic effects that occur after acute organophosphate poisoning (OP can manifest three phases, namely, acute cholinergic crisis, intermediate syndrome and delayed-type polyneuropathy. Clinical signs and symptoms of organophosphate poisoning depend on the accumulation of acetylcholine at the nerve junction. Organophosphate poisoning causes three main clinical findings; acute cholinergic crisis consisting of muscarinic, nicotinic and central nervous system symptoms, intermediate syndrome with recurrence of cholinergic symptoms or muscle weakness without fasciculation 24-96 hours after poisoning and delayed-type polyneuropathy that can usually occur several days or weeks after acute exposure to organic phosphorus compounds. In this article, intermediate syndrome, which is a late complication, has been reviewed. [Archives Medical Review Journal 2016; 25(1.000: 70-83

  4. Ionization photophysics and spectroscopy of dicyanoacetylene

    Energy Technology Data Exchange (ETDEWEB)

    Leach, Sydney, E-mail: Sydney.Leach@obspm.fr, E-mail: Martin.Schwell@lisa.u-pec.fr; Champion, Norbert [LERMA UMR CNRS 8112, Observatoire de Paris-Meudon, 5 place Jules-Jansen, 92195 Meudon (France); Schwell, Martin, E-mail: Sydney.Leach@obspm.fr, E-mail: Martin.Schwell@lisa.u-pec.fr; Bénilan, Yves; Fray, Nicolas; Gazeau, Marie-Claire [LISA UMR CNRS 7583, Université Paris-Est Créteil and Université Paris Diderot, Institut Pierre Simon Laplace, 61 Avenue du Général de Gaulle, 94010 Créteil (France); Garcia, Gustavo A.; Gaie-Levrel, François [Synchrotron SOLEIL, L’Orme des Merisiers, St. Aubin, B.P. 48, 91192 Gif-sur-Yvette Cedex (France); Guillemin, Jean-Claude [Institut des Sciences Chimiques de Rennes, Ecole Nationale Supérieure de Chimie de Rennes, CNRS UMR 6226, 11 Allée de Beaulieu, CS 50837, 35708 Rennes Cedex 7 (France)

    2013-11-14

    Photoionization of dicyanoacetylene was studied using synchrotron radiation over the excitation range 8–25 eV, with photoelectron-photoion coincidence techniques. The absolute ionization cross-section and detailed spectroscopic aspects of the parent ion were recorded. The adiabatic ionization energy of dicyanoacetylene was measured as 11.80 ± 0.01 eV. A detailed analysis of the cation spectroscopy involves new aspects and new assignments of the vibrational components to excitation of the quasi-degenerate A{sup 2}Π{sub g}, B{sup 2}Σ{sub g}{sup +} states as well as the C{sup 2}Σ{sub u}{sup +} and D{sup 2}Π{sub u} states of the cation. Some of the structured autoionization features observed in the 12.4–15 eV region of the total ion yield spectrum were assigned to vibrational components of valence shell transitions and to two previously unknown Rydberg series converging to the D{sup 2}Π{sub u} state of C{sub 4}N{sub 2}{sup +}. The appearance energies of the fragment ions C{sub 4}N{sup +}, C{sub 3}N{sup +}, C{sub 4}{sup +}, C{sub 2}N{sup +}, and C{sub 2}{sup +} were measured and their heats of formation were determined and compared with existing literature values. Thermochemical calculations of the appearance potentials of these and other weaker ions were used to infer aspects of dissociative ionization pathways.

  5. Double-hump resonance structure of the cross sections for electron impact ionization of Ar5+

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    Configuration-average distorted-wave calculations are carried out for electron-impact ionization of Ar5+. Both direct ionization and the indirect excitation autoionization processes are included in our calculations. Our theoretical values are in quite reasonable agreement with the experimental data. The indirect processes contribute up to 50% to the total ionization cross sections. The possible origin of double-hump resonance structure of the cross sections is demonstrated and the contributions of metastable states are also taken into account.

  6. Nuclear reactions at intermediate energies

    Directory of Open Access Journals (Sweden)

    Shyam Radhey

    2016-01-01

    Full Text Available In the domain of Nuclear reactions at intermediate energies, the QCD coupling constant αs is large enough (~ 0.3 - 0.5 to render the perturbative calculational techniques inapplicable. In this regime the quarks are confined into colorless hadrons and it is expected that effective field theories of hadron interactions via exchange of hadrons, provide useful tools to describe such reactions. In this contribution we discuss the application of one such theory, the effective Lagrangian model, in describing the hadronic reactions at intermediate energies whose measurements are the focus of a vast international experimental program.

  7. Molecular symmetry group analysis of the low-wavenumber torsions and vibration-torsions in the S1 state and ground state cation of p-xylene: An investigation using resonance-enhanced multiphoton ionization (REMPI) and zero-kinetic-energy (ZEKE) spectroscopy

    Science.gov (United States)

    Gardner, Adrian M.; Tuttle, William D.; Groner, Peter; Wright, Timothy G.

    2017-03-01

    For the first time, a molecular symmetry group (MSG) analysis has been undertaken in the investigation of the electronic spectroscopy of p-xylene (p-dimethylbenzene). Torsional and vibration-torsional (vibtor) levels in the S1 state and ground state of the cation of p-xylene are investigated using resonance-enhanced multiphoton ionization (REMPI) and zero-kinetic-energy (ZEKE) spectroscopy. In the present work, we concentrate on the 0-350 cm-1 region, where there are a number of torsional and vibtor bands and we discuss the assignment of this region. In Paper II [W. D. Tuttle et al., J. Chem. Phys. 146, 124309 (2017)], we examine the 350-600 cm-1 region where vibtor levels are observed as part of a Fermi resonance. The similarity of much of the observed spectral activity to that in the related substituted benzenes, toluene and para-fluorotoluene, is striking, despite the different symmetries. The discussion necessitates a consideration of the MSG of p-xylene, which has been designated G72, but we shall also designate [{3,3}]D2h and we include the symmetry operations, character table, and direct product table for this. We also discuss the symmetries of the internal rotor (torsional) levels and the selection rules for the particular electronic transition of p-xylene investigated here.

  8. Shining A Light On Galactic Outflows: Photo-Ionized Outflows

    CERN Document Server

    Chisholm, John; Leitherer, Claus; Chen, Yanmei; Wofford, Aida

    2016-01-01

    We study the ionization structure of galactic outflows in 37 nearby, star forming galaxies with the Cosmic Origins Spectrograph on the Hubble Space Telescope. We use the O I, Si II, Si III, and Si IV ultraviolet absorption lines to characterize the different ionization states of outflowing gas. We measure the equivalent widths, line widths, and outflow velocities of the four transitions, and find shallow scaling relations between them and galactic stellar mass and star formation rate. Regardless of the ionization potential, lines of similar strength have similar velocities and line widths, indicating that the four transitions can be modeled as a co-moving phase. The Si equivalent width ratios (e.g. Si IV/Si II) have low dispersion, and little variation with stellar mass; while ratios with O I and Si vary by a factor of 2 for a given stellar mass. Photo-ionization models reproduce these equivalent width ratios, while shock models under predict the relative amount of high ionization gas. The photo-ionization mo...

  9. CDW-EIS calculations for multiple ionization of Ne, Ar, Kr and Xe by the impact of H{sup +} and He{sup +}, including post-collisional electron emission

    Energy Technology Data Exchange (ETDEWEB)

    Montanari, C C; Miraglia, J E [Instituto de AstronomIa y FIsica del Espacio, casilla de correo 67, sucursal 28, C1428EGA, Buenos Aires (Argentina); Montenegro, E C, E-mail: mclaudia@iafe.uba.a [Instituto de FIsica, Universidade Federal de Rio de Janeiro, Caixa Postal 68528, Rio de Janeiro 21945-970, RJ (Brazil)

    2010-08-28

    We present theoretical single to quintuple ionization cross sections for Ne, Ar, Kr and Xe bombarded by H{sup +} and He{sup +}. Post-collisional contributions due to Auger-like processes are taken into account using recent photoionization data. The present continuum distorted wave-eikonal initial state (CDW-EIS) and first Born approximation results are compared with the experimental data available in the energy range of 50-10 000 keV amu{sup -1} for H{sup +} on Ne and Ar, and 50-1000 keV amu{sup -1} for the other cases. In general, the combination of the CDW-EIS with the post-collisional branching ratios describes well the multiple ionization data above 300 keV amu{sup -1}, showing a clear tendency to coalesce with the first Born approximation at high energies. The surprising result of this work is the good performance of the first Born approximation which describes rather well the experimental data of double and triple ionization, even in the intermediate energy range (50-300 keV amu{sup -1}), where direct ionization is the dominant contribution.

  10. Cestina pro Pokrocile (Intermediate Czech).

    Science.gov (United States)

    Kabat, Grazyna; And Others

    The textbook in intermediate Czech is designed for second-year students of the language and those who already have a basic knowledge of Czech grammar and vocabulary. It is appropriate for use in a traditional college language classroom, the business community, or a government language school. It can be covered in a year-long conventional…

  11. Material Voices: Intermediality and Autism

    Science.gov (United States)

    Trimingham, Melissa; Shaughnessy, Nicola

    2016-01-01

    Autism continues to be regarded enigmatically; a community that is difficult to access due to perceived disruptions of interpersonal connectedness. Through detailed observations of two children participating in the Arts and Humanities Research Council funded project "Imagining Autism: Drama, Performance and Intermediality as Interventions for…

  12. Learning through Literature: Geography, Intermediate.

    Science.gov (United States)

    Sterling, Mary Ellen

    This resource book provides specific strategies and activities for integrating the intermediate geography curriculum with related children's literature selections. The book includes the following sections: (1) "World Geography Overview"; (2) "Oceans"; (3) "Polar Regions"; (4) "Islands"; (5) "Rain Forests"; (6) "Mountains"; (7) "Forests"; (8)…

  13. Ambient ionization mass spectrometry: A tutorial

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Min-Zong; Cheng, Sy-Chi; Cho, Yi-Tzu [Department of Chemistry, National Sun Yat-Sen University, Kaohsiung, Taiwan (China); Shiea, Jentaie, E-mail: jetea@fac.nsysu.edu.tw [Department of Chemistry, National Sun Yat-Sen University, Kaohsiung, Taiwan (China); Cancer Center, Kaohsiung Medical University, Kaohsiung, Taiwan (China)

    2011-09-19

    Highlights: {yields} Ambient ionization technique allows the direct analysis of sample surfaces with little or no sample pretreatment. {yields} We sort ambient ionization techniques into three main analytical strategies, direct ionization, direct desorption/ionization, and two-step ionization. {yields} The underlying principles of operation, ionization processes, detecting mass ranges, sensitivity, and representative applications of these techniques are described and compared. - Abstract: Ambient ionization is a set of mass spectrometric ionization techniques performed under ambient conditions that allows the direct analysis of sample surfaces with little or no sample pretreatment. Using combinations of different types of sample introduction systems and ionization methods, several novel techniques have been developed over the last few years with many applications (e.g., food safety screening; detection of pharmaceuticals and drug abuse; monitoring of environmental pollutants; detection of explosives for antiterrorism and forensics; characterization of biological compounds for proteomics and metabolomics; molecular imaging analysis; and monitoring chemical and biochemical reactions). Electrospray ionization and atmospheric pressure chemical ionization are the two main ionization principles most commonly used in ambient ionization mass spectrometry. This tutorial paper provides a review of the publications related to ambient ionization techniques. We describe and compare the underlying principles of operation, ionization processes, detecting mass ranges, sensitivity, and representative applications of these techniques.

  14. The contribution of the delayed ionization in strong-field nonsequential double ionization

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Yinbo; Zhou, Yueming, E-mail: zhouymhust@hust.edu.cn; Li, Yang; Li, Min; Lan, Pengfei [School of Physics, Huazhong University of Science and Technology, Wuhan 430074 (China); Lu, Peixiang, E-mail: lupeixiang@hust.edu.cn [School of Physics, Huazhong University of Science and Technology, Wuhan 430074 (China); Laboratory of Optical Information Technology, Wuhan Institute of Technology, Wuhan 430205 (China)

    2016-01-14

    With the classical ensemble model, we have investigated the pulse-duration dependence of nonsequential double ionization (NSDI) over a wide range of laser intensity. The correlated electron momentum distributions are distinctly different for the few-cycle and multiple cycle pulses, which agree well with the previous experiments. Based on this agreement, we analyzed the underlying process for the pulse-duration dependence of the electron correlation by tracing the classical trajectories. Counterintuitively, our analysis shows that the recollision-induced excited states of NSDI could resist ionization in the strong laser field for a time much longer than one optical cycle even at very high intensities. For the multiple-cycle pulses, NSDI events with such a long time delay have significant contribution to the total NSDI yields, which is responsible for the pulse-duration dependence of the observed correlated patterns in the electron momentum distributions.

  15. Physics of a partially ionized gas relevant to galaxy formation simulations -- the ionization potential energy reservoir

    CERN Document Server

    Vandenbroucke, Bert; Schroyen, Joeri; Jachowicz, Natalie

    2013-01-01

    Simulation codes for galaxy formation and evolution take on board as many physical processes as possible beyond the standard gravitational and hydrodynamical physics. Most of this extra physics takes place below the resolution level of the simulations and is added in a sub-grid fashion. However, these sub-grid processes affect the macroscopic hydrodynamical properties of the gas and thus couple to the on-grid physics that is explicitly integrated during the simulation. In this paper, we focus on the link between partial ionization and the hydrodynamical equations. We show that the energy stored in ions and free electrons constitutes a potential energy term which breaks the linear dependence of the internal energy on temperature. Correctly taking into account ionization hence requires modifying both the equation of state and the energy-temperature relation. We implemented these changes in the cosmological simulation code Gadget2. As an example of the effects of these changes, we study the propagation of Sedov-...

  16. Electron impact ionization of highly charged lithiumlike ions

    Energy Technology Data Exchange (ETDEWEB)

    Wong, K L

    1992-10-01

    Electron impact ionization cross sections can provide valuable information about the charge-state and power balance of highly charged ions in laboratory and astrophysical plasmas. In the present work, a novel technique based on x-ray measurements has been used to infer the ionization cross section of highly charged lithiumlike ions on the Livermore electron beam ion trap. In particular, a correspondence is established between an observed x ray and an ionization event. The measurements are made at one energy corresponding to approximately 2.3 times the threshold energy for ionization of lithiumlike ions. The technique is applied to the transition metals between Z=22 (titanium, Ti[sup 19+]) and Z=26 (iron, Fe[sup 23+]) and to Z=56 (barium, Ba[sup 53+]). The results for the transition metals, which have an estimated 17-33% uncertainty, are in good overall agreement with a relativistic distorted-wave calculation. However, less good agreement is found for barium, which has a larger uncertainty. Methods for properly accounting for the polarization in the x-ray intensities and for inferring the charge-state abundances from x-ray observations, which were developed for the ionization measurements, as well as an x-ray model that assists in the proper interpretation of the data are also presented.

  17. Resonant three-photon ionization of hydrogenic atoms by a non-monochromatic laser field

    NARCIS (Netherlands)

    Yakhontov, V.; Santra, R.; Jungmann, K.

    1999-01-01

    We present ionization probability and lineshape calculations for the two-step three- photon ionization process, 1S (2(h)over-bar-omega)under-right-arrow, 2S ((h)over-bar-omega)under-right-arrow epsilon P, of the ground state of hydrogenic atoms in a non-monochromatic laser field with a time-dependen

  18. Resonant three-photon ionization of hydrogenic atoms by a non-monochromatic laser field

    NARCIS (Netherlands)

    Yakhontov, V.; Santra, R.; Jungmann, K.

    1999-01-01

    We present ionization probability and lineshape calculations for a specifed two-step three-photon ionization process of the ground state of hydrogenic atoms in a non-monochromatic laser field with a time-dependent amplitude. Within the framework of a three-level model, the AC Stark shifts and non-ze

  19. Low energy (e,2e) ionization of Argon in the equal energy sharing geometry

    CERN Document Server

    Mazevet, S; Langlois, J M; Tweed, R J; Robaux, O; Tannous, C; Fakhreddine, K

    2002-01-01

    Quantum Defect theory is a well established theoretical concept in modern spectroscopy. We show that this approach is useful in electron impact ionization problems where state of the art theoretical methods are presently restricted mostly to simple atomic targets. For the well documented Argon ionization case in equal energy sharing geometry the approach suggested leads to significant improvements compared to previous calculations.

  20. Theory of dissociative tunneling ionization

    CERN Document Server

    Svensmark, Jens; Madsen, Lars Bojer

    2016-01-01

    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 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 fiel...

  1. Vacuum ultraviolet lamp based magnetic field enhanced photoelectron ionization and single photon ionization source for online time-of-flight mass spectrometry.

    Science.gov (United States)

    Wu, Qinghao; Hua, Lei; Hou, Keyong; Cui, Huapeng; Chen, Wendong; Chen, Ping; Wang, Weiguo; Li, Jinghua; Li, Haiyang

    2011-12-01

    A magnetic field enhanced photoelectron ionization (MEPEI) source combined with single photon ionization (SPI) was developed for an orthogonal acceleration time-of-flight mass spectrometer (oaTOFMS). A commercial radio frequency (rf) powered vacuum ultraviolet (VUV) lamp was used as SPI light source, and the photoelectrons generated by photoelectric effect were accelerated to induce electron ionization (EI). The MEPEI was obtained by applying a magnetic field of about 800 G with a permanent annular magnet. Compared to a nonmagnetic field photoelectron ionization source, the signal intensities for SO(2), SF(6), O(2), and N(2) in MEPEI were improved more than 2 orders with the photoelectron energy around 20 eV, while most of the characteristics of soft ionization still remained. Simulation with SIMION showed that the sensitivity enhancement in MEPEI was ascribed to the increase of the electron moving path and the improvement of the electrons transmission. The limits of detection for SO(2) and benzene were 750 and 80 ppbv within a detection time of 4 s, respectively. The advantages of the source, including broad range of ionizable compounds, reduced fragments, and good sensitivity with low energy MEPEI, were demonstrated by monitoring pyrolysis products of polyvinyl chloride (PVC) and the intermediate products in discharging of the SF(6) gas inpurity.

  2. Ionization photophysics and Rydberg spectroscopy of diacetylene

    KAUST Repository

    Schwell, Martin

    2012-11-01

    Photoionization of diacetylene was studied using synchrotron radiation over the range 8-24 eV, with photoelectron-photoion coincidence (PEPICO) and threshold photoelectron-photoion coincidence (TPEPICO) techniques. Mass spectra, ion yields, total and partial ionization cross-sections were measured. The adiabatic ionization energy of diacetylene was determined as IE ad=(10.17±0.01) eV, and the appearance energy of the principal fragment ion C4H+ as AE=(16.15±0.03) eV. Calculated appearance energies of other fragment ions were used to infer aspects of dissociation pathways forming the weaker fragment ions C+ 4, C3H+, C+3 and C 4H+. Structured autoionization features observed in the PEPICO spectrum of diacetylene in the 11-13 eV region were assigned to vibrational components of three new Rydberg series, R1(nsσg, n=4-11), R2(ndσg, n=4-7) and R3(ndδg, n=4-6) converging to the A2Πu state of the cation, and to a new series R01(nsσg, n=3) converging to the B\\' 2Σ+u state of the cation. The autoionization mechanisms and their consistence with specific selection rules are discussed. © 2012 Taylor and Francis.

  3. Ionization Collection in Detectors of the Cryogenic Dark Matter Search

    Energy Technology Data Exchange (ETDEWEB)

    Phipps, Arran T.J. [Univ. of California, Berkeley, CA (United States)

    2016-01-01

    Determining the composition of dark matter is at the forefront of modern scientific research. There is compelling evidence for the existence of vast quantities of dark matter throughout the universe, however it has so-far eluded all direct detection efforts and its identity remains a mystery. Weakly interacting massive particles (WIMPs) are a favored dark matter candidate and have been the primary focus of direct detection for several decades. The Cryogenic Dark Matter Search (CDMS) has developed the Z-dependent Ionization and Phonon (ZIP) detector to search for such particles. Typically made from germanium, these detectors are capable of distinguishing between electromagnetic background and a putative WIMP signal through the simultaneous measurement of ionization and phonons produced by scattering events. CDMS has operated several arrays of these detectors at the Soudan Underground Laboratory (Soudan, MN, USA) resulting in many competitive (often world-leading) WIMP exclusion limits. This dissertation focuses on ionization collection in these detectors under the sub-Kelvin, low electric field, and high crystal purity conditions unique to CDMS. The design and performance of a fully cryogenic HEMT-based amplifier capable of achieving the SuperCDMS SNOLAB ionization energy resolution goal of 100 eVee is presented. The experimental apparatus which has been used to record electron and hole properties under CDMS conditions is described. Measurements of charge transport, trapping, and impact ionization as a function of electric field in two CDMS detectors are shown, and the ionization collection efficiency is determined. The data is used to predict the error in the nuclear recoil energy scale under both CDMSlite and iZIP operating modes. A two species, two state model is developed to describe how ionization collection and space charge generation in CDMS detectors are controlled by the presence of “overcharged” D- donor and A+ acceptor impurity states. The thermal

  4. Ionizing radiation injuries and illnesses.

    Science.gov (United States)

    Christensen, Doran M; Iddins, Carol J; Sugarman, Stephen L

    2014-02-01

    Although the spectrum of information related to diagnosis and management of radiation injuries and illnesses is vast and as radiation contamination incidents are rare, most emergency practitioners have had little to no practical experience with such cases. Exposures to ionizing radiation and internal contamination with radioactive materials can cause significant tissue damage and conditions. Emergency practitioners unaware of ionizing radiation as the cause of a condition may miss the diagnosis of radiation-induced injury or illness. This article reviews the pertinent terms, physics, radiobiology, and medical management of radiation injuries and illnesses that may confront the emergency practitioner. Copyright © 2014 Elsevier Inc. All rights reserved.

  5. Ionization chambers for LET determination

    DEFF Research Database (Denmark)

    Kaiser, Franz-Joachim; Bassler, Niels; Tölli, Heikki

    2010-01-01

    resolution and high sensitivity are necessary. For exact dosimetry which is done using ionization chambers (ICs), the recombination taking place in the IC has to be known. Up to now, recombination is corrected phenomenologically and more practical approaches are currently used. Nevertheless, Jaff´e's theory...... of columnar recombination was designed to model the detector efficiency of an ionization chamber. Here, we have shown that despite the approximations and simplification made, the theory is correct for the LETs typically found in clinical radiotherapy employing particles from protons to carbon ions...

  6. Spectroscopy of ultracold LiRb molecules using ionization detection

    Science.gov (United States)

    Altaf, Adeel

    We present spectroscopic studies of ultracold LiRb molecules using ionization detection. The molecules are created by cooling and trapping Li and Rb atoms in overlapping magneto-optical traps (MOTs) and using light resonant with a free-bound transition to create weakly bound excited state molecules in a process known as photoassociation (PA). We explore weakly bound vibrational levels of LiRb with PA spectroscopy using ionization detection and, where possible, compare our results with earlier measurements performed in our lab using trap-loss spectroscopy. In addition, we also probe vibrational levels of the ground triplet electronic state and excited electronic states using resonantly enhanced multiphoton ionization (REMPI) spectroscopy. We identify several vibrational levels of the alpha3Sigma+, (3)3piO and (4)3Sigma + states and compare our observations with theoretical calculations. As LiRb is one of the least studied heteronuclear diatomic molecules, these studies are aimed towards exploring the molecular structure. The spectroscopic work is also in line with the long-term project goals of transferring ultracold LiRb molecules into the lowest rotational and vibrational levels of the ground singlet electronic state. Molecules in this rovibronic ground state possess a large electric dipole moment, which is essential for application of ultracold molecules in various quantum computation schemes. The rovibronic ground state will also be an ideal starting point for investigating molecular entangled states.

  7. Ionization energies of beryllium in strong magnetic fields

    Institute of Scientific and Technical Information of China (English)

    GUANXiao-xu; ZHANGYue-xia

    2004-01-01

    We have develop an effective frozen core approximation to calculate energy levels and ionization enegies of the beryllium atom in magnetic field strengths up to 2.35 × 105T. Systematic improvement over the Hartree-Fock results for the beryllium low-lying states has been accomplished.

  8. Ionization energies of beryllium in strong magnetic fields

    Institute of Scientific and Technical Information of China (English)

    GUAN Xiao-xu; ZHANG Yue-xia

    2004-01-01

    We have develop an effective frozen core approximation to calculate energy levels and ionization enegies of the beryllium atom in magnetic field strengths up to 2.35×105T. Systematic improvement over the Hartree-Fock results for the beryllium low-lying states has been accomplished.

  9. The effect of autoionization on the N2+ X 2Σg+ state vibrationally resolved photoelectron anisotropy parameters and branching ratios

    Science.gov (United States)

    Holland, D. M. P.; Seddon, E. A.; Daly, S.; Alcaraz, C.; Romanzin, C.; Nahon, L.; Garcia, G. A.

    2013-05-01

    Vibrationally resolved photoelectron anisotropy parameters and branching ratios for the N2+ X 2Σg+ state have been measured between the ionization threshold and ˜16.7 eV to study the influence of autoionization on the photoionization dynamics. In this energy range the ion yield curve exhibits extensive structure due to autoionizing Rydberg or valence states. Some of these Rydberg states belong to series converging onto the A 2Πu limit but, close to the ionization threshold, states belonging to series converging onto vibrationally excited levels of the X 2Σg+ state are also observed. At photon energies free from the influence of neutral excited states, the measured vibrational branching ratios correlate with the Franck-Condon factors for direct ionization. However, strong deviations are observed when the excitation energy corresponds with a transition into an autoionizing state. An attempt to interpret these variations using Franck-Condon factors connecting the neutral excited state and the final ionic state proved unsuccessful. This failure suggests that the intermediate states might not be pure Rydberg states. Electronic and, close to threshold, vibrational autoionization affects the vibrationally resolved photoelectron anisotropy parameters, leading to a significant reduction in the fairly high β-values determined for non-resonant ionization. Photoelectron images of the N2+ X 2Σg+ state recorded close to the v+ = 1 or the v+ = 2 ionization thresholds suggest that electronic autoionization results in rotational branch populations that differ from those due to direct, non-resonant, photoionization.

  10. Larval helminths in intermediate hosts

    DEFF Research Database (Denmark)

    Fredensborg, Brian Lund; Poulin, R

    2005-01-01

    a reduction in size, caused by crowding, virtually nothing is known about longer-lasting effects after transmission to the definitive host. This study is the first to use in vitro cultivation with feeding of adult trematodes to investigate how numbers of parasites in the intermediate host affect the size......Density-dependent effects on parasite fitness have been documented from adult helminths in their definitive hosts. There have, however, been no studies on the cost of sharing an intermediate host with other parasites in terms of reduced adult parasite fecundity. Even if larval parasites suffer...... and fecundity of adult parasites. For this purpose, we examined two different infracommunities of parasites in crustacean hosts. Firstly, we used experimental infections of Maritrema novaezealandensis in the amphipod, Paracalliope novizealandiae, to investigate potential density-dependent effects in single...

  11. PERIPHERAL RETINOSCHISIS IN INTERMEDIATE UVEITIS.

    Science.gov (United States)

    Pichi, Francesco; Srivastava, Sunil K; Nucci, Paolo; Baynes, Kimberly; Neri, Piergiorgio; Lowder, Careen Y

    2017-01-11

    To examine cases of intermediate uveitis complicated by retinoschisis and review the pathogenetic hypothesis. A retrospective chart review of patients with intermediate uveitis. Data were collected at three uveitis referral centers on sex, age, best-corrected visual acuity, degree of vitritis, extent and location of snowbanking, presence of hard exudates, neovascularization, vitreous hemorrhage, and extent and nature of retinal elevations. A series of 23 eyes of 20 patients were examined; patient's age ranged from 10 years to 70 years and follow-up period from 8 months to 6 years. Twenty-two eyes had retinoschisis (95.6%), and 1 had retinoschisis associated with serous retinal detachment (4.3%). Extensive inferior pars plana exudates with snowbanking were present in 12 eyes (52.2%), whereas 3 eyes had inferior snowballs over the elevated retina. Neovascularization of the vitreous base accompanied by vitreous hemorrhage occurred in one eye. There was no coexisting macular pathology in 16 eyes, whereas 4 eyes had cystoid macular edema. The appearance of peripheral retinoschisis in this series of uncontrolled intermediate uveitis patients seems to be secondary to a complex balance between the persistent fluorescein leakage, a subclinical peripheral ischemia, and the constant low-grade vitreous inflammation that causes vitreous shrinkage and traction. The results of this study suggest that the absence of macroscopic changes in the retina does not preclude ischemic peripheral abnormalities, and the detection of a peripheral retinoschisis in an intermediate uveitis patient with active fluorescein leakage must suggest the need for a more aggressive form of treatment despite the good visual acuity.

  12. Branching of keratin intermediate filaments.

    Science.gov (United States)

    Nafeey, Soufi; Martin, Ines; Felder, Tatiana; Walther, Paul; Felder, Edward

    2016-06-01

    Keratin intermediate filaments (IFs) are crucial to maintain mechanical stability in epithelial cells. Since little is known about the network architecture that provides this stiffness and especially about branching properties of filaments, we addressed this question with different electron microscopic (EM) methods. Using EM tomography of high pressure frozen keratinocytes, we investigated the course of several filaments in a branching of a filament bundle. Moreover we found several putative bifurcations in individual filaments. To verify our observation we also visualized the keratin network in detergent extracted keratinocytes with scanning EM. Here bifurcations of individual filaments could unambiguously be identified additionally to bundle branchings. Interestingly, identical filament bifurcations were also found in purified keratin 8/18 filaments expressed in Escherichia coli which were reassembled in vitro. This excludes that an accessory protein contributes to the branch formation. Measurements of the filament cross sectional areas showed various ratios between the three bifurcation arms. This demonstrates that intermediate filament furcation is very different from actin furcation where an entire new filament is attached to an existing filament. Instead, the architecture of intermediate filament bifurcations is less predetermined and hence consistent with the general concept of IF formation.

  13. Lifetime enhancement for multiphoton absorption in intermediate band solar cells

    Science.gov (United States)

    Bezerra, Anibal T.; Studart, Nelson

    2017-08-01

    A semiconductor structure consisting of two coupled quantum wells embedded into the intrinsic region of a p-i-n junction is proposed as an intermediate band solar cell with a photon ratchet state, which would lead to increasing the cell efficiency. The conduction subband of the right-hand side quantum well works as the intermediated band, whereas the excited conduction subband of the left-hand side quantum well operates as the ratchet state. The photoelectrons in the intermediate band are scattered through the thin wells barrier and accumulated into the ratchet subband. A rate equation model for describing the charge transport properties is presented. The efficiency of the current generation is analyzed by studying the occupation of the wells subbands, taking into account the charge dynamic behavior provided by the electrical contacts connected to the cell. The current generation efficiency depends essentially from the relations between the generation, recombination rates and the scattering rate to the ratchet state. The inclusion of the ratchet states led to both an increase and a decrease in the cell current depending on the transition rates. This suggests that the coupling between the intermediate band and the ratchet state is a key point in developing an efficient solar cell.

  14. Collinear Resonance Ionization Spectroscopy of Neutron-Deficient Francium Isotopes

    CERN Document Server

    Flanagan, K T; Ruiz, R F Garcia; Budincevic, I; Procter, T J; Fedosseev, V N; Lynch, K M; Cocolios, T E; Marsh, B A; Neyens, G; Strashnov, I; Stroke, H H; Rossel, R E; Heylen, H; Billowes, J; Rothe, S; Bissell, M L; Wendt, K D A; de Groote, R P; De Schepper, S

    2013-01-01

    The magnetic moments and isotope shifts of the neutron-deficient francium isotopes Fr202-205 were measured at ISOLDE-CERN with use of collinear resonance ionization spectroscopy. A production-to-detection efficiency of 1\\% was measured for Fr-202. The background from nonresonant and collisional ionization was maintained below one ion in 10(5) beam particles. Through a comparison of the measured charge radii with predictions from the spherical droplet model, it is concluded that the ground-state wave function remains spherical down to Fr-205, with a departure observed in Fr-203 (N = 116).

  15. Searches for highly ionizing particles in ATLAS and CMS

    CERN Document Server

    Policicchio, Antonio; The ATLAS collaboration

    2015-01-01

    The latest CMS and ATLAS searches for signatures with anomalous energy loss by ionization and/or small time-of-flight are presented. The results are interpreted in terms of the production of new particles with a fractional or multiple value of the charge of the electron, the production of high mass stable charged particles, the presence of magnetic monopoles that lead to unusual ionization interactions with matter or the delayed effect of particles stopping in the detector vol- ume. The signatures are also reinterpreted in the context of supersymmetric scenarios that predict stable or pseudo-stable charged particles in the final state.

  16. Ionization Cooling for Muon Experiments

    Energy Technology Data Exchange (ETDEWEB)

    Alexahin, Y. [Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States); Neuffer, D. [Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States); Prebys, E. [Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)

    2014-09-18

    Possible application for muon experiments such as mu2e is discussed of the initial part of the ionization cooling channel originally developed for muon collider. It is shown that with the FNAL Booster as the proton driver the mu2e sensitivity can be increased by two orders of magnitude compared to the presently considered experiment.

  17. Ionization Cooling for Muon Experiments

    OpenAIRE

    Alexahin, Y.; D. Neuffer; Prebys, E.

    2014-01-01

    Possible application for muon experiments such as mu2e is discussed of the initial part of the ionization cooling channel originally developed for muon collider. It is shown that with the FNAL Booster as the proton driver the mu2e sensitivity can be increased by two orders of magnitude compared to the presently considered experiment.

  18. Electronic measurements of ionization currents

    Energy Technology Data Exchange (ETDEWEB)

    Hutyra, F.; Knapp, K.; Gregor, J. (Tesla, Premysleni (Czechoslovakia). Vyzkumny Ustav Pristroju Jaderne Techniky)

    1982-02-01

    Measurements are discussed of very low currents from ionization chambers. The currents range between 10/sup -15/ and 10/sup -9/ A. Two methods are discussed. A description is given of a dynamic and a semiconductor electrometers. Both meters are parts of dosimetric instruments for monitoring the dose rate (NB 9201) and the neutron-gamma mixed radiation dose rate (NDK 601).

  19. Resonance ionization spectroscopy in dysprosium

    Energy Technology Data Exchange (ETDEWEB)

    Studer, D., E-mail: dstuder@uni-mainz.de; Dyrauf, P.; Naubereit, P.; Heinke, R.; Wendt, K. [Johannes Gutenberg-Universität Mainz, Institut für Physik (Germany)

    2017-11-15

    We report on resonance ionization spectroscopy (RIS) of high-lying energy levels in dysprosium. We developed efficient excitation schemes and re-determined the first ionization potential (IP) via analysis of Rydberg convergences. For this purpose both two- and three-step excitation ladders were investigated. An overall ionization efficiency of 25(4) % could be demonstrated in the RISIKO mass separator of Mainz University, using a three-step resonance ionization scheme. Moreover, an extensive analysis of the even-parity 6sns- and 6snd-Rydberg-series convergences, measured via two-step excitation was performed. To account for strong perturbations in the observed s-series, the approach of multichannel quantum defect theory (MQDT) was applied. Considering all individual series limits we extracted an IP-value of 47901.76(5) cm{sup −1}, which agrees with the current literature value of 47901.7(6) cm{sup −1}, but is one order of magnitude more precise.

  20. Influences on ionization fraction in an inductively coupled ionized physical vapor deposition device plasma

    Science.gov (United States)

    Juliano, Daniel R.; Ruzic, David N.; Allain, Monica M. C.; Hayden, Douglas B.

    2002-01-01

    A computer simulation was created to model the transport of sputtered atoms through an ionized physical vapor deposition (IPVD) system. The simulation combines Monte Carlo and fluid methods to track the metal atoms that are emitted from the target, interact with the IPVD plasma, and are eventually deposited somewhere in the system. Ground-state neutral, excited, and ionized metal atoms are tracked. The simulation requires plasma conditions to be specified by the user. Langmuir probe measurements were used to determine these parameters in an experimental system in order to compare simulation results with experiment. The primary product of the simulation is a prediction of the ionization fraction of the sputtered atom flux at the substrate under various conditions. This quantity was experimentally measured and the results compared to the simulation. Experiment and simulation differ significantly. It is hypothesized that heating of the background gas due to the intense sputtered atom flux at the target is primarily responsible for this difference. Heating of the background gas is not accounted for in the simulation. Difficulties in accurately measuring plasma parameters, especially electron temperature, are also significant.

  1. Storage Ring Measurements of Electron Impact Ionization for Solar Physics

    Science.gov (United States)

    Hahn, Michael; Becker, A.; Bernhardt, D.; Grieser, M.; Krantz, C.; Lestinsky, M.; Müller, A.; Novotný, O.; Repnow, R.; Schippers, S.; Spruck, K.; Wolf, A.; Savin, D. W.

    2013-07-01

    The interpretation of astrophysical spectra requires knowledge of the charge state distribution (CSD) of the plasma. The CSD is determined by the rates of ionization and recombination. Thus, accurate electron impact ionization (EII) data are needed to calculate the CSD of the solar atmosphere as well as for other electron-ionized astrophysical objects, such as stars, supernovae, galaxies, and clusters of galaxies. We are studying EII for astrophysically important ions using the TSR storage ring located at the Max Plank Institute for Nuclear Physics in Heidelberg, Germany. Storage ring measurements are largely free of the metastable contamination found in other experimental geometries, resulting in unambiguous EII data. We have found discrepancies of about 10% - 30% between our measured cross sections and those commonly used in CSD models. Because it is impractical to perform experimental measurements for every astrophysically relevant ion, theory must provide the bulk of the necessary EII data. These experimental results provide an essential benchmark for such EII calculations.

  2. Anion formation in sputter ion sources by neutral resonant ionization

    Energy Technology Data Exchange (ETDEWEB)

    Vogel, J. S., E-mail: johnsvogel@yahoo.com [University of California, 8300 Feliz Creek Dr., Ukiah, California 95482 (United States)

    2016-02-15

    Focused Cs{sup +} beams in sputter ion sources create mm-diameter pits supporting small plasmas that control anionization efficiencies. Sputtering produces overwhelmingly neutral products that the plasma can ionize as in a charge-change vapor. Electron capture between neutral atoms rises as the inverse square of the difference between the ionization potential of the Cs state and the electron affinity of the sputtered atom, allowing resonant ionization at very low energies. A plasma collision-radiation model followed electronic excitation up to Cs(7d). High modeled Cs(7d) in a 0.5 mm recess explains the 80 μA/mm{sup 2} C{sup −} current density compared to the 20 μA/mm{sup 2} from a 1 mm recess.

  3. Interpreting tunneling time in circularly polarized strong-laser ionization

    CERN Document Server

    Yuan, MingHu; Chu, TianShu; Liu, HongPing

    2016-01-01

    We propose a method to study the tunneling process by analyzing the time-dependent ionization yield in circularly polarized laser. A numerical calculation shows that for an atom exposed to a long laser pulse, if its initial electronic state wave function is non-spherical symmetric, the delayed phase shift of the ionization rate vs. the laser cycle period in real time in the region close to the peak intensity of the laser pulse can be used to probe the tunneling time. In this region, an obvious delay phase shift is observed, showing the tunneling time is in order of tens of attoseconds. Further study shows the atom has a longer tunneling time in the ionization under a shorter wavelength laser pulse. In our method, a Wigner rotation technique is employed to numerically solve the time-dependent Schr\\"odinger equation of a single-active-electron in a three dimensional spherical coordinate system.

  4. Global model including multistep ionizations in helium plasmas

    Science.gov (United States)

    Oh, Seung-Ju; Lee, Hyo-Chang; Chung, Chin-Wook

    2016-12-01

    Particle and power balance equations including stepwise ionizations are derived and solved in helium plasmas. In the balance equations, two metastable states (21S1 in singlet and 23S1 triplet) are considered and the followings are obtained. The plasma density linearly increases and the electron temperature is relatively in a constant value against the absorbed power. It is also found that the contribution to multi-step ionization with respect to the single-step ionization is in the range of 8%-23%, as the gas pressure increases from 10 mTorr to 100 mTorr. Compared to the results in the argon plasma, there is little variation in the collisional energy loss per electron-ion pair created (ɛc) with absorbed power and gas pressure due to the small collision cross section and higher inelastic collision threshold energy.

  5. Many-body Hamiltonian with screening parameter and ionization energy

    Indian Academy of Sciences (India)

    Andrew Das Arulsamy

    2010-04-01

    We prove the existence of a Hamiltonian with ionization energy as part of the eigenvalue, which can be used to study strongly correlated matter. This eigenvalue consists of total energy at zero temperature (0) and the ionization energy (). We show that the existence of this total energy eigenvalue, 0 ± , does not violate the Coulombian atomic system. Since there is no equivalent known Hamilton operator that corresponds quantitatively to , we employ the screened Coulomb potential operator (Yukawa-type), which is a function of this ionization energy to analytically calculate the screening parameter () of a neutral helium atom in the ground state. In addition, we also show that the energy level splitting due to spin-orbit coupling is inversely proportional to eigenvalue, which is also important in the field of spintronics.

  6. Fission in intermediate energy heavy ion reactions

    Energy Technology Data Exchange (ETDEWEB)

    Wilhelmy, J.B.; Begemann-Blaich, M.; Blaich, T.; Boissevain, J.; Fowler, M.M.; Gavron, A.; Jacak, B.V.; Lysaght, P.S. (Los Alamos National Lab., NM (USA)); Britt, H.C.; Fields, D.J.; Hansen, L.F.; Lanier, R.G.; Massoletti, D.J.; Namboodiri, M.M.; Remington, B.A.; Sangster, T.C.; Struble, G.L.; Webb, M.L. (Lawrence Livermore National Lab., CA (USA)); Chan, Y.D.; Dacai, A.; Harmon, A.; Leyba, J.; Pouliot, J.; Stokstad, R.G. (Lawrence Berkeley Lab., CA (USA)); Hansen, O.; Levine, M.J.; Thorn, C.E.; Trautmann, W. (Brookhaven National Lab., Upton, NY (USA)); Dichter, B.; Kaufman, S.; Videbaek, F. (Argonne National Lab. (USA)); Fraenkel, Z.; Mamane, G. (Weizmann Inst. of Science, Rehovoth (Israel)); Cebra, D.; Westfall, G.D. (Michigan State Univ., East Lansing (USA))

    1989-10-09

    A systematic study of reaction mechanisms at intermediate energies (50-100 MeV/A) has been performed at the Lawrence Berkeley Laboratory's BeValac using medium weight projectiles on medium and heavy element targets. A gas and plastic phoswich detector system was employed which gave large geometric coverage and a wide dynamic response. The particles identified with the gas detectors could be characterized into three components - intermediate mass fragments (IMF), fission fragments (FF) and heavy residues (HR). Major observed features are: The reaction yields are similar in the 50 to 100 MeV/A range, central collisions have high multiplicty of IMF's with broad angular correlations consistent with a large participant region, effects of final state Coulomb interactions are observed and give information on the size and temporal behavior of the source, true fission yields are dependent on target fissility and correlated with relatively peripheral collisions. Analysis of fission and evaporation yields implies limiting conditions for which fission decay remains a viable deexcitation channel. (orig.).

  7. Intermediate energy neutron beams from the MURR.

    Science.gov (United States)

    Brugger, R M; Herleth, W H

    1990-01-01

    Several reactors in the United States are potential candidates to deliver beams of intermediate energy neutrons for NCT. At this time, moderators, as compared to filters, appear to be the more effective means of tailoring the flux of these reactors. The objective is to sufficiently reduce the flux of fast neutrons while producing enough intermediate energy neutrons for treatments. At the University of Missouri Research Reactor (MURR), the code MCNP has recently been used to calculate doses in a phantom. First, "ideal" beams of 1, 35, and 1000 eV neutrons were analyzed to determine doses and advantage depths in the phantom. Second, a high quality beam that had been designed to fit in the thermal column of the MURR, was reanalyzed. MCNP calculations of the dose in phantom in this beam confirmed previous calculations and showed that this beam would be a nearly ideal one with neutrons of the desired energy and also a high neutron current. However, installation of this beam will require a significant modification of the thermal column of the MURR. Therefore, a second beam that is less difficult to build and install, but of lower neutron current, has been designed to fit in MURR port F. This beam is designed using inexpensive A1, S, and Pb. The doses calculated in the phantom placed in this beam show that it will be satisfactory for sample tests, animal tests, and possible initial patient trials. Producing this beam will require only modest modifications of the existing tube.

  8. nf Rydberg complexes of NO in a magnetic field, probed by double resonance multiphoton ionization

    Science.gov (United States)

    Guizard, S.; Shafizadeh, N.; Horani, M.; Gauyacq, D.

    1991-06-01

    nf (v=1) Rydberg states of NO have been probed by double resonance multiphoton ionization in a 1 T external magnetic field. Due to the nonpenetrating character of the f orbitals, these Rydberg states are very sensitive probes of any external perturbation. As n increases, a decoupling of the angular momentum l of the Rydberg electron from the molecular frame occurs gradually, as the magnetic interaction becomes more and more important with respect to intramolecular forces. Up to n≂15, only the linear Zeeman perturbation has been taken into account. The rotational-electronic structure of the 7f and 15f states has been interpreted theoretically by considering the linear Zeeman perturbation in addition to the Coulombic interaction and the long range interaction due to the quadrupole moment and the polarizability of the ion core. The intensities and line positions of the transitions from the intermediate A 2Σ+,v=1 level to the 7f and 15f levels have been calculated. The alignment of the N, MS, MN Zeeman sublevels of the A state by the two-photon pump excitation from the ground state as well as the polarization of both lasers have been taken into account in the calculations. A good agreement between the observed and the calculated transitions has been obtained. For the 7f levels, the electronic-rotational structure is well described in a coupled case (d) representation. For the 15f levels, the strong coupling of l to the field axis led to the first observation of the Paschen-Back effect in a molecule, within each rotational N+ series, with an accompanying drastic simplification of the spectra. This level is better described in a decoupled case (d) representation corresponding to a moderately strong field regime.

  9. Recombination and population inversion in plasmas generated by tunneling ionization.

    Science.gov (United States)

    Pert, G J

    2006-06-01

    Above-threshold ionization (ATI) ionization by linearly polarized light has been proposed by several authors as a means of driving recombination lasers in the soft x-ray spectral region. The pump radiation generates a cold electron plasma with ions in a single ionization stage, which is an ideal starting condition for strong recombination. Population inversions form during the recombination cascade to the ground state of the next ionization stage. In the absence of any relaxation the electron distribution is strongly peaked near zero energy. However, a number of different processes all heat the cold electrons towards Maxwellian, and may thereby reduce the recombination rate in the higher levels. Using numerical models we investigate these relaxation processes and their effect on recombination. We show that the recombination can be well described by the standard cascade model, provided an appropriate temperature is used. We examine two cases in detail, hydrogen-like lithium where the inversion is with respect to the ground state, and lithium-like nitrogen where it is with the first excited state. The two cases differ markedly in the degree of relaxation achieved, and in the duration of the population inversion.

  10. Multi—Photon Ionization in Background of Plasma

    Institute of Scientific and Technical Information of China (English)

    顾震宇; 季沛勇

    2002-01-01

    Multi-photon ionization(MPI) in plasma is examined in terms of optical metric.and the quantum Volkov state in curved space-time is derived.The cross section of MPI is derived by virtue of the corrected Volkov state within the framework of quantum electrodynamics(QED) formal scattering theory.It shows that the plasma medium acts as a suppression on MPI.

  11. An atomic model for neutral and singly ionized uranium

    Science.gov (United States)

    Maceda, E. L.; Miley, G. H.

    1979-01-01

    A model for the atomic levels above ground state in neutral, U(0), and singly ionized, U(+), uranium is described based on identified atomic transitions. Some 168 states in U(0) and 95 in U(+) are found. A total of 1581 atomic transitions are used to complete this process. Also discussed are the atomic inverse lifetimes and line widths for the radiative transitions as well as the electron collisional cross sections.

  12. COLLISIONLESS SHOCKS IN A PARTIALLY IONIZED MEDIUM. II. BALMER EMISSION

    Energy Technology Data Exchange (ETDEWEB)

    Morlino, G.; Bandiera, R.; Blasi, P.; Amato, E. [INAF-Osservatorio Astrofisico di Arcetri, Largo E. Fermi 5, I-50125 Firenze (Italy)

    2012-12-01

    Strong shocks propagating into a partially ionized medium are often associated with optical Balmer lines. This emission is due to impact excitation of neutral hydrogen by hot protons and electrons in the shocked gas. The structure of such Balmer-dominated shocks has been computed in a previous paper, where the distribution function of neutral particles was derived from the appropriate Boltzmann equation including coupling with ions and electrons through charge exchange and ionization. This calculation showed how the presence of neutrals can significantly modify the shock structure through the formation of a neutral-induced precursor ahead of the shock. Here we follow up on our previous work and investigate the properties of the resulting Balmer emission, with the aim of using the observed radiation as a diagnostic tool for shock parameters. Our main focus is on supernova remnant shocks, and we find that, for typical parameters, the H{alpha} emission typically has a three-component spectral profile, where (1) a narrow component originates from upstream cold hydrogen atoms, (2) a broad component comes from hydrogen atoms that have undergone charge exchange with shocked protons downstream of the shock, and (3) an intermediate component is due to hydrogen atoms that have undergone charge exchange with warm protons in the neutral-induced precursor. The relative importance of these three components depends on the shock velocity, on the original degree of ionization, and on the electron-ion temperature equilibration level. The intermediate component, which is the main signature of the presence of a neutral-induced precursor, becomes negligible for shock velocities {approx}< 1500 km s{sup -1}. The width of the intermediate line reflects the temperature in the precursor, while the width of the narrow one is left unaltered by the precursor. In addition, we show that the profiles of both the intermediate and broad components generally depart from a thermal distribution, as a

  13. Bibliografia Especializada: Educacion Media (Specialized Bibliography: Intermediate Education).

    Science.gov (United States)

    Boletin del Centro Nacional de Documentacion e Informacion Educativa, 1969

    1969-01-01

    This specialized international bibliography on various issues in intermediate education lists almost 70 articles and books, written between 1957 and 1969, in Argentina, Brazil, Belgium, Chile, Spain, France, Mexico, and the United States. Articles appear in Spanish, French, Portuguese, and English. Several articles were sponsored by international…

  14. Neutrino interactions with nucleons and nuclei at intermediate energies

    CERN Document Server

    Alvarez-Ruso, L; Mosel, U

    2006-01-01

    We investigate neutrino-nucleus collisions at intermediate energies incorporating quasielastic scattering and Delta(1232) excitation as elementary processes, together with Fermi motion, Pauli blocking and mean-field potentials in the nuclear medium. A full coupled-channel treatment of final state interactions is achieved with a semiclassical BUU transport model. Results for inclusive reactions and nucleon knockout are presented.

  15. Teaching Inflation Targeting: An Analysis for Intermediate Macro.

    Science.gov (United States)

    Walsh, Carl E.

    2002-01-01

    States many central banks have adopted policies known as inflation targeting. Declares that students need experience with the implications of these policies. Provides a simple graphical device involving the output gap and the inflation rate to overcome these problems that can be used to teach intermediate macroeconomics students about inflation…

  16. Mitigating TCP Degradation over Intermittent Link Failures using Intermediate Buffers

    Science.gov (United States)

    2006-06-01

    buffering strategy, retransmission strategy, TCP state management, intermediate ac- knowledgment, custody considerations, and leader election considerations...availability are all ripe for research in strategic buffering. One final custodial area open for pursuit is a leader election protocol. Along a route with

  17. Role of Intermediate Filaments in Vesicular Traffic

    Directory of Open Access Journals (Sweden)

    Azzurra Margiotta

    2016-04-01

    Full Text Available Intermediate filaments are an important component of the cellular cytoskeleton. The first established role attributed to intermediate filaments was the mechanical support to cells. However, it is now clear that intermediate filaments have many different roles affecting a variety of other biological functions, such as the organization of microtubules and microfilaments, the regulation of nuclear structure and activity, the control of cell cycle and the regulation of signal transduction pathways. Furthermore, a number of intermediate filament proteins have been involved in the acquisition of tumorigenic properties. Over the last years, a strong involvement of intermediate filament proteins in the regulation of several aspects of intracellular trafficking has strongly emerged. Here, we review the functions of intermediate filaments proteins focusing mainly on the recent knowledge gained from the discovery that intermediate filaments associate with key proteins of the vesicular membrane transport machinery. In particular, we analyze the current understanding of the contribution of intermediate filaments to the endocytic pathway.

  18. Intermedial Strategies of Memory in Contemporary Novels

    DEFF Research Database (Denmark)

    Tanderup, Sara

    2014-01-01

    In her article "Intermedial Strategies and Memory in Contemporary Novels" Sara Tanderup discusses a tendency in contemporary literature towards combining intermedial experiments with a thematic preoccupation with memory and trauma. Analyzing selected works by Steven Hall, Jonathan Safran Foer...

  19. The ionization fraction in dense clouds

    CERN Document Server

    De Boisanger, C B; Van Dishoeck, E F

    1995-01-01

    We present submillimeter observations of various molecular ions toward two dense clouds, NGC 2264 IRS1 and W 3 IRS5, in order to investigate their ionization fraction. Analysis of the line intensity ratios by the way of statistical equilibrium calculations allows determination of the physical parameters: n(H2)~(1-2)e6 cm-3 and T(kin)~50-100 K. Column densities and abundances are also derived. Together, the abundances of the observed ions provide a lower limit to the ionization fraction, which is (2-3)e-9 in both clouds. In order to better constrain the electron abundance, a simple chemical model is built which calculates the steady state abundances of the major positive ions, using the observed abundances wherever available. With reasonable assumptions, good agreement within a factor of two with the observations can be achieved. The calculated electron fraction is x(e)= (1.0-3.3)e-8 in the case of NGC 2264 and x(e)=(0.5-1.1)e-8 for W 3 IRS5. In the first case, the high abundance of N2H+ requires a rather high...

  20. Pelamis WEC - intermediate scale demonstration

    Energy Technology Data Exchange (ETDEWEB)

    Yemm, R.

    2003-07-01

    This report describes the successful building and commissioning of an intermediate 1/7th scale model of the Pelamis Wave Energy Converter (WEC) and its testing in the wave climate of the Firth of Forth. Details are given of the design of the semi-submerged articulated structure of cylindrical elements linked by hinged joints. The specific programme objectives and conclusions, development issues addressed, and key remaining risks are discussed along with development milestones to be passed before the Pelamis WEC is ready for full-scale prototype testing.

  1. ESL intermediate/advanced writing

    CERN Document Server

    Munoz Page, Mary Ellen; Jaskiewicz, Mary

    2011-01-01

    Master ESL (English as a Second Language) Writing with the study guide designed for non-native speakers of English. Skill-building lessons relevant to today's topics help ESL students write complete sentences, paragraphs, and even multi-paragraph essays. It's perfect for classroom use or self-guided writing preparation.DETAILS- Intermediate drills for improving skills with parallel structure, mood, correct shifting errors & dangling participles- Advanced essay drills focusing on narrative, descriptive, process, reaction, comparison and contrast- Superb preparation for students taking the TOEFL

  2. Intermediate Filaments in Caenorhabditis elegans.

    Science.gov (United States)

    Zuela, Noam; Gruenbaum, Yosef

    2016-01-01

    More than 70 different genes in humans and 12 different genes in Caenorhabditis elegans encode the superfamily of intermediate filament (IF) proteins. In C. elegans, similar to humans, these proteins are expressed in a cell- and tissue-specific manner, can assemble into heteropolymers and into 5-10nm wide filaments that account for the principal structural elements at the nuclear periphery, nucleoplasm, and cytoplasm. At least 5 of the 11 cytoplasmic IFs, as well as the nuclear IF, lamin, are essential. In this chapter, we will include a short review of our current knowledge of both cytoplasmic and nuclear IFs in C. elegans and will describe techniques used for their analyses.

  3. Comments on Ionization Cooling Channel Characteristics

    CERN Document Server

    Neuffer, David

    2013-01-01

    Ionization cooling channels with a wide variety of characteristics and cooling properties are being developed. These channels can produce cooling performances that are largely consistent with the ionization cooling theory developed previously. In this paper we review ionization cooling theory, discuss its application to presently developing cooling channels, and discuss criteria for optimizing cooling.

  4. 29 CFR 1926.53 - Ionizing radiation.

    Science.gov (United States)

    2010-07-01

    ... 29 Labor 8 2010-07-01 2010-07-01 false Ionizing radiation. 1926.53 Section 1926.53 Labor... § 1926.53 Ionizing radiation. (a) In construction and related activities involving the use of sources of ionizing radiation, the pertinent provisions of the Nuclear Regulatory Commission's Standards for...

  5. Comments on Ionization Cooling Channel Characteristics

    OpenAIRE

    Neuffer, David

    2013-01-01

    Ionization cooling channels with a wide variety of characteristics and cooling properties are being developed. These channels can produce cooling performances that are largely consistent with the ionization cooling theory developed previously. In this paper we review ionization cooling theory, discuss its application to presently developing cooling channels, and discuss criteria for optimizing cooling.

  6. Modeling of Plutonium Ionization Probabilities for Use in Nuclear Forensic Analysis by Resonance Ionization Mass Spectrometry

    Science.gov (United States)

    2016-12-01

    material and chemical composition within the sample. This data can then be included in analysis by law enforcement and intelligence agencies to...PLUTONIUM IONIZATION PROBABILITIES FOR USE IN NUCLEAR FORENSIC ANALYSIS BY RESONANCE IONIZATION MASS SPECTROMETRY by Steven F. Hutchinson...IONIZATION PROBABILITIES FOR USE IN NUCLEAR FORENSIC ANALYSIS BY RESONANCE IONIZATION MASS SPECTROMETRY 5. FUNDING NUMBERS 6. AUTHOR(S) Steven F

  7. Spectroscopy of {sup 39}K{sup 85}Rb triplet excited states using ultracold a {sup 3}{sigma}{sup +} state molecules formed by photoassociation

    Energy Technology Data Exchange (ETDEWEB)

    Kim, J T; Wang, D; Eyler, E E; Gould, P L; Stwalley, W C [Physics Department, University of Connecticut, Storrs, CT 06269 (United States)], E-mail: w.stwalley@uconn.edu, E-mail: kimjt@chosun.ac.kr

    2009-05-15

    Convenient state-selective detection methods are proposed for exploring triplet Rydberg states from the metastable a {sup 3}{sigma}{sup +} state of ultracold KRb molecules by resonance-enhanced two-photon ionization and time-of-flight (TOF) mass spectroscopy. This would allow the first accurate determination of the ionization potential. Particularly suitable resonant intermediate states include the 2 {sup 3}{pi} {sub {omega}}, 3 {sup 3}{sigma}{sup +} and 4 {sup 3}{sigma}{sup +} states, and we report spectroscopic studies of these states. For the 2 {sup 3}{pi} {sub {omega}} state, the spin-orbit components ({omega} = 0{sup +}, 0{sup -}, 1 and 2) have been investigated and a shallow long-range state (5(0{sup +})) at {approx} 9.3 A has been observed. We compare our observations of these three states with predictions based on ab initio potential energy curves. Such studies may also permit the direct observation of autoionizing resonances leading to efficient formation of low-lying rovibrational levels of the {sup 2}{sigma}{sup +} ground state of KRb{sup +}, ideally in the v{sup +}= 0, N{sup +}= 0 level.

  8. Electron-Impact Ionization and Dissociative Ionization of Biomolecules

    Science.gov (United States)

    Huo, Winifred M.; Chaban, Galina M.; Dateo, Christopher E.

    2006-01-01

    It is well recognized that secondary electrons play an important role in radiation damage to humans. Particularly important is the damage of DNA by electrons, potentially leading to mutagenesis. Molecular-level study of electron interaction with DNA provides information on the damage pathways and dominant mechanisms. Our study of electron-impact ionization of DNA fragments uses the improved binary-encounter dipole model and covers DNA bases, sugar phosphate backbone, and nucleotides. An additivity principle is observed. For example, the sum of the ionization cross sections of the separate deoxyribose and phosphate fragments is in close agreement with the C3(sup prime)- and C5 (sup prime)-deoxyribose-phospate cross sections, differing by less than 5%. Investigation of tandem double lesion initiated by electron-impact dissociative ionization of guanine, followed by proton reaction with the cytosine in the Watson-Crick pair, is currently being studied to see if tandem double lesion can be initiated by electron impact. Up to now only OH-induced tandem double lesion has been studied.

  9. Large structural modulations in the relaxor ferroelectric and intermediate state of strontium rich members (x&2gt;0.6) of the SrxBa1-xNb2O6 (sbn) solid solution series

    Science.gov (United States)

    Graetsch, H. A.

    2017-02-01

    The amplitudes of the positional, occupational and adp modulations of sbn mixed crystals are strongly enhanced for high strontium contents. The increase of structural modulations is accompanied by reduced spontaneous electric polarization largely due to smaller off-center shifts of the niobium atoms. Beyond the room temperature ferroelectric - intermediate transition near x=0.77, anomal large U33 atomic displacement parameters of the niobium atoms indicate static disorder caused by loss of orientational coupling between residual shifts of Nb atoms in neighboring NbO6 octahedra. Change of satellite intensities show a reduction from two-dimensional to one-dimensional modulation which is not consistent with tetragonal symmetry. The pseudo-tetragonally twinned crystal structure of sbn82 was refined in the orthorhombic super-space group A2mm(½0γ)000. The apparent tetragonal symmetry of the other investigated sbn samples also seems to be due to pseudo tetragonal twinning with equal twin volumes. The modulations mainly consist of cooperatively tilted NbO6 octahedra and wave-like ordered incomplete occupation of the largest cation sites (Me2a and b) by Ba2+ and Sr2+. Furthermore, the atomic displacement parameters of the Me2 sites are strongly modulated.

  10. A traditional intermediate moisture meat: Beef cecina.

    Science.gov (United States)

    Reyes-Cano, R; Dorantes-Alvarez, L; Hernandez-Sanchez, H; Gutierrez-Lopez, G F

    1994-01-01

    Cecina is an intermediate moisture meat produced and consumed to a large extent in Mexico. Four samples of cecina coming from different States of this country, were tested for water activity, colour, texture, fat, protein, moisture and chloride content. Sensory and microbiological analyses were also performed. Different fabrication methods for producing cecina were identified, involving large variations in the formulation of the product. There was a significant difference (P < 0·05) among samples regarding fat and chloride content, colour and texture. Differences in colour and saltiness were recorded through sensory analysis. Microbiological analysis showed higher counts than those recommended in the Mexican Official Standard for chopped and raw meat, due to poor sanitary conditions during production and marketing.

  11. The ultraviolet spectra of intermediate-redshift quasars

    Science.gov (United States)

    Kinney, A. L.; Huggins, P. J.; Bregman, J. N.; Glassgold, A. E.

    1985-01-01

    In the present sample of 21 intermediate redshift quasars, for which IUE Lyman-alpha line flux and UV continuum observations have been conducted, an extrapolation of the continuum to the X-ray region is noted to fall at least 2-sigma above the measured X-ray flux, at 2 keV, for two-thirds of the sample. The strength of Lyman-alpha is well correlated with the luminosity at 1450 A, and an estimate of the covering factor on the basis of the ratio of the number of Lyman-alpha to ionizing protons yields a value for the sample which, at about 0.17, is consistent with the number of observed Lyman discontinuities.

  12. Intermediate-Mass Black Holes

    CERN Document Server

    Miller, M C

    2004-01-01

    The mathematical simplicity of black holes, combined with their links to some of the most energetic events in the universe, means that black holes are key objects for fundamental physics and astrophysics. Until recently, it was generally believed that black holes in nature appear in two broad mass ranges: stellar-mass (roughly 3-20 solar masses), which are produced by the core collapse of massive stars, and supermassive (millions to billions of solar masses), which are found in the centers of galaxies and are produced by a still uncertain combination of processes. In the last few years, however, evidence has accumulated for an intermediate-mass class of black holes, with hundreds to thousands of solar masses. If such objects exist they have important implications for the dynamics of stellar clusters, the formation of supermassive black holes, and the production and detection of gravitational waves. We review the evidence for intermediate-mass black holes and discuss future observational and theoretical work t...

  13. Relative Distribution of Au48+ ~ Au52+ in Au Plasma by Ionization Dynamics

    Institute of Scientific and Technical Information of China (English)

    ZHU Zhi-Yan; ZHU Zheng-He; JIANG Gang

    2003-01-01

    The present work proposes a theoretical method called ionization dynamics to derive the ionic charge state distribution. Using relativistic quantum mechanics to calculate the energy level lifetime and average ionic lifetime of each ion, the first-order ionization rate constant can be obtained. Based on these data, from the solution of differential equations for consecutive-irreversible ionization reactions, one will be able to derive the ionic charge state distribution.The calculated average positive charge 49.24 of Au48+ ~ Au52+ and their relative distribution are in good agreement with the results of Lawrence Livermore National Laboratory.

  14. Second-order Born approximation for the ionization of molecules by electron and positron impact

    Energy Technology Data Exchange (ETDEWEB)

    Dal Cappello, C. [Universite Paul Verlaine-Metz, Laboratoire de Physique Moleculaire et des Collisions, Institut Jean Barriol (FR2843), 1 Boulevard Arago, F-57078 Metz Cedex 3 (France); Rezkallah, Z.; Houamer, S. [Laboratoire de Physique Quantique et Systemes Dynamiques, Departement de Physique, Faculte des Sciences Universite Ferhat Abbas, Setif 19000 (Algeria); Charpentier, I. [Universite Paul Verlaine-Metz, Laboratoire de Physique et Mecanique des Materiaux UMR 7554, Ile du Saulcy, F-57045 Metz Cedex 1 (France); Hervieux, P. A. [Institut de Physique et Chimie des Materiaux de Strasbourg, 23 Rue du Loess, BP 43, F-67034 Strasbourg Cedex 2 (France); Ruiz-Lopez, M. F. [Nancy-University, Equipe de Chimie et Biochimie Theoriques, UMR CNRS-UHP 7565, BP 239, F-54506 Vandoeuvre-les-Nancy (France); Dey, R. [Max-Planck Institut fuer Plasmaphysik, Boltzmannstr. 2, D-85748 Garching (Germany); Roy, A. C. [School of Mathematical Sciences, Ramakrishna Mission Vivekananda University, Belur Math 711202, West Bengal (India)

    2011-09-15

    Second-order Born approximation is applied to study the ionization of molecules. The initial and final states are described by single-center wave functions. For the initial state a Gaussian wave function is used while for the ejected electron it is a distorted wave. Results of the present model are compared with recent (e,2e) experiments on the water molecule. Preliminary results are also presented for the ionization of the thymine molecule by electrons and positrons.

  15. Reactive intermediates in the gas phase generation and monitoring

    CERN Document Server

    Setser, D W

    2013-01-01

    Reactive Intermediates in the Gas Phase: Generation and Monitoring covers methods for reactive intermediates in the gas phase. The book discusses the generation and measurement of atom and radical concentrations in flow systems; the high temperature flow tubes, generation and measurement of refractory species; and the electronically excited long-lived states of atoms and diatomic molecules in flow systems. The text also describes the production and detection of reactive species with lasers in static systems; the production of small positive ions in a mass spectrometer; and the discharge-excite

  16. Acceptance criteria for deposition of low-level and intermediate-level radiation levels radioactive wastes; Criterios de aceitacao para deposicao de rejeitos radioativos de baixo e medio niveis de radiacao

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2002-09-15

    This norm establishes the criteria for acceptance low and intermediate radiation level for safe deposition in repositories, for assuring the protection of workers, population and environment against the hazardous effects of the ionizing radiations. The criteria of this norm applies to the low and intermediate radiation levels.

  17. Ionization in collisions between metastable hydrogen atoms

    Science.gov (United States)

    Bohr, Alex; Blickle, Andrew; Paolini, Stephen; Ohlinger, Luke; Forrey, Robert

    2012-06-01

    Associative and Penning ionization cross sections are calculated for collisions between metastable hydrogen 2s atoms at thermal energies. Cross sections for deuterium 2s collisions are also reported. The associative ionization cross sections behave as E-1 for collision energy E, in agreement with an existing experiment. The Penning ionization cross sections dominate for all energies and are found to follow the E-2/3 behavior that was predicted in previous work for the total ionization cross section. The magnitudes of our theoretical associative ionization cross sections for H(2s)+H(2s) collisions are between two and four times larger than the experimental data.

  18. Ionization potentials some variations, implications and applications

    CERN Document Server

    Ahrens, L H

    1983-01-01

    Ionization Potentials: Some Variations, Implications and Applications covers several aspects of ionization potential that is a highly significant parameter in controlling the properties of electric discharge. Comprised of 17 chapters, the book covers topic relevant to ionization potentials, such as properties, concepts, and applications, in order to understand and fully comprehend all aspects of ionization potential. The opening chapter is a review of ionization potentials and a discussion of trends and features. The succeeding chapters then tackle complex topics such as the s and p electrons;

  19. Quantum statistical mechanics of dense partially ionized hydrogen.

    Science.gov (United States)

    Dewitt, H. E.; Rogers, F. J.

    1972-01-01

    The theory of dense hydrogenic plasmas beginning with the two component quantum grand partition function is reviewed. It is shown that ionization equilibrium and molecular dissociation equilibrium can be treated in the same manner with proper consideration of all two-body states. A quantum perturbation expansion is used to give an accurate calculation of the equation of state of the gas for any degree of dissociation and ionization. In this theory, the effective interaction between any two charges is the dynamic screened potential obtained from the plasma dielectric function. We make the static approximation; and we carry out detailed numerical calculations with the bound and scattering states of the Debye potential, using the Beth-Uhlenbeck form of the quantum second virial coefficient. We compare our results with calculations from the Saha equation.

  20. Study on the Reaction of Salicylic Acid with Dialkyl Phosphite by NMR and Electrospray Ionization Mass Spectrometry

    Institute of Scientific and Technical Information of China (English)

    陈晓岚; 屈凌波; 郭蕾; 卢建莎; 刘艳; 吴建丽; 赵玉芬

    2005-01-01

    The reaction between salicylic acid and dialkyl phosphite was traced by electrospray ionization mass spectrometry and 31P NMR. All reactants, unstable intermediates and products were detected. The mechanism was proposed based on ESI-MS results and 31P NMR profiles.

  1. Biological effects of ionizing radiation

    Energy Technology Data Exchange (ETDEWEB)

    Blaylock, B.G. [SENES Oak Ridge Inc., Oak Ridge, TN (United States); Theodorakis, C.W.; Shugart, L.R. [Oak Ridge National Lab., Oak Ridge, TN (United States). Environmental Sciences Division

    1996-12-31

    Natural populations have always been exposed to background levels of ionizing radiation; however, with the event of the nuclear age, studies about the effects of higher-than-background levels of ionizing radiation on individuals or populations of organisms became important. Originally, concern was focused on survival after large, acute radiation doses, and numerous studies document the somatic and genetic effects of acute ionizing radiation. However, there is a growing realization that chronic long-term exposure to higher-than-background levels of environmental radiation is more likely than is large acute exposure. Less than 10% of the literature on ionizing radiation effects deals with chronic long-term effects, and very few studies involve natural populations. In 1977, mosquito fish, Gambusia affinis, were experimentally introduced into a 0,45 ha, decommissioned, radioactive waste pond where the measured dose at the sediment-water interface was 1,150 rad/year. One year later, the fecundity of the population had not changed significantly. Eighteen years later, studies of the fish showed an inverse correlation between DNA strand breakage and fecundity in the contaminated pond. More recent studies have provided evidence that genetic diversity of the fish has increased in the contaminated site. These fish also have a greater prevalence of certain DNA banding patterns. Individuals displaying these banding patterns have a higher fecundity and lower degree of DNA strand breakage than individuals with less common banding patterns. Gambusia affinis has apparently adapted to the high background radiation, successfully surviving for approximately 50 generations. 31 refs, 5 figs.

  2. The dosimetry of ionizing radiation

    CERN Document Server

    1990-01-01

    A continuation of the treatise The Dosimetry of Ionizing Radiation, Volume III builds upon the foundations of Volumes I and II and the tradition of the preceeding treatise Radiation Dosimetry. Volume III contains three comprehensive chapters on the applications of radiation dosimetry in particular research and medical settings, a chapter on unique and useful detectors, and two chapters on Monte Carlo techniques and their applications.

  3. Ab Initio Study of the Electron Transfer in an Ionized Stacked Complex of Guanines

    Science.gov (United States)

    Cauët, Emilie; Liévin, Jacques

    2009-08-01

    The charge transfer process in an ionized stacking of two consecutive guanines (G5'G3')+ has been studied by means of state-averaged CASSCF/MRCI and RASSCF/RASPT2 calculations. The ground and two first excited states of the radical cation have been characterized, and the topology of the corresponding potential energy surfaces (PESs) has been studied as a function of all intermolecular geometrical parameters. The results demonstrate that the charge transfer process in (G5'G3')+ is governed by the avoiding crossing between the ground and first excited states of the complex. Relative translation motions of both guanines in their molecular planes are shown to lead to the charge migration between G5' and G3'. Five stationary points (three minima and two saddle points) have been characterized along the reaction path describing the passage of the positive charge from G5' to G3'. The global minimum on the PES is found to correspond to the charge configuration G5'+G3'. The existence of an intermediate minimum along the reaction path has been established, characterizing a structure where the positive charge is equally distributed between the two guanines. The calculated energy profile allowed us to determine the height of the potential energy barrier (7.33 kcal/mol) and to evaluate the electronic coupling at a geometry close to the avoiding crossing (3.6 kcal/mol). Test calculations showed that the topology of the ground state PES of the complex GG+ is qualitatively conserved upon optimization of the intramolecular geometrical parameters of the stationary points.

  4. Intermediate view synthesis from stereoscopic images

    Institute of Scientific and Technical Information of China (English)

    Lü Chaohui; An Ping; Zhang Zhaoyang

    2005-01-01

    A new method is proposed for synthesizing intermediate views from a pair of stereoscopic images. In order to synthesize high-quality intermediate views, the block matching method together with a simplified multi-window technique and dynamic programming is used in the process of disparity estimation. Then occlusion detection is performed to locate occluded regions and their disparities are compensated. After the projecton of the left-to-right and right-to-left disparities onto the intermediate image, intermediate view is synthesized considering occluded regions. Experimental results show that our synthesis method can obtain intermediate views with higher quality.

  5. Turbulence and the ionization of interstellar gas

    Science.gov (United States)

    Hill, Alex S.

    2015-08-01

    Turbulence is widely observed in the ionized gas in the interstellar media of star-forming galaxies. Observations in the Milky Way indicate emission from that the warm ionized medium -- ionized gas far from massive stars, the most likely source of the ionization -- has a lognormal intensity distribution. This and other measurements indicate that the gas is well-described as a transonic turbulent fluid. Such a fluid can be produced by feedback from supernovae in the Galaxy. Understanding of this turbulence has also led to a natural explanation for a long-standing puzzle: how do ionizing photons travel through the largely-neutral interstellar medium and produce the ionization? In the turbulent gas, low-density pathways allow ionizing photons to propagate for kiloparsecs, with implications for radiative energy transport in star-forming galaxies.

  6. Loss of ions in cavity ionization chambers

    Energy Technology Data Exchange (ETDEWEB)

    Takata, N. [Ionizing Radiation Section, NMIJ/AIST, Tsukuba 305-8568 (Japan)]. E-mail: n.takata@aist.go.jp; Tran, N.T. [Institute for Nuclear Science and Technique, VAEC, Hanoi (Viet Nam); Kim, E. [Radiation Safety Section, NIRS, Inageku, Chiba-city 263-8555 (Japan); Marsoem, P. [P3KRBiN-BATAN, JL Cinere-Pasar Jum' at, Jakarta 12070 (Indonesia); Kurosawa, T. [Ionizing Radiation Section, NMIJ/AIST, Tsukuba 305-8568 (Japan); Koyama, Y. [Ionizing Radiation Section, NMIJ/AIST, Tsukuba 305-8568 (Japan)

    2005-12-01

    Ion losses due to initial recombination, volume recombination, and back diffusion were each determined by measurements and calculations for different size cylindrical ionization chambers and spherical ionization chambers. By measuring signal currents from these ionization chambers irradiated with {sup 60}Co gamma rays, two groups of ion losses were obtained. (Group 1) Ion loss due to initial recombination and diffusion, which changes proportionally to the inverse of the voltage applied to the ionization chambers; (and group 2) ion loss due to volume recombination, which changes proportionally to the inverse of the square of the applied voltage. The diffusion loss was obtained separately by computing electric field distributions in the ionization chambers. It was found that diffusion loss is larger than initial recombination loss for the cylindrical ionization chambers and vise versa for the spherical ionization chambers.

  7. Molecular Strong Field Ionization viewed with Photoelectron Velocity Map Imaging

    Science.gov (United States)

    Sandor, Peter

    In this thesis, work is presented on molecular strong-field ionization, during which an electron is removed from polyatomic molecules in the presence of strong laser fields. This is a process which is the basis of a number of experimental techniques to uncover electronic dynamics in atoms and molecules on the femtosecond and attosecond timescale. 'Strong' refers to an electric field strength which leads to a response from the system which can not be modeled perturbatively. These fields can be easily produced in the focus of femtosecond laser radiation, as is done in this work. With the use of velocity map imaging of the photoelectron in coincidence with the fragment ion, multiple ionization--dissociation pathways can be distinguished. It is shown that as opposed to early attempts to model the process, multiple low-lying states are populated in the ion, and also the signatures of multielectron dynamics are revealed. By changing the laser pulse duration from 30 fs to below 10 fs, control is demonstrated over which quantum states of the ion are populated. It is also shown that for pulses shorter than 10 fs (which is a timescale below the shortest vibrational period in molecules), ionization pathways that involve motion of the nuclei are almost completely shut off. Finally, the origin of electrons with step model is proposed for creating the electrons: the first step is population transfer to high-lying excited states of the neutral molecule by the laser field; the second step is ionization. Different ionization mechanisms are examined and their viability is checked against available data.

  8. Calculation of excitation energies of open-shell molecules with spatially degenerate ground states. I. Transformed reference via an intermediate configuration Kohn-Sham density-functional theory and applications to d1 and d2 systems with octahedral and tetrahedral symmetries.

    Science.gov (United States)

    Seth, Michael; Ziegler, Tom

    2005-10-08

    A method for calculating the UV-vis spectra of molecules with spatially degenerate ground states using time-dependent density-functional theory (TDDFT) is proposed. The new transformed reference via an intermediate configuration Kohn-Sham TDDFT (TRICKS-TDDFT) method avoids the difficulties caused by the multireference nature of spatially degenerate states by rather than utilizing the ground state instead taking a nondegenerate excited state with desirable properties as the reference for the TDDFT calculation. The scope and practical application of the method are discussed. Like all open-shell TDDFT calculations this method at times suffers from the inability to produce transitions to states that are eigenfunctions of the total spin operator. A technique for alleviating this difficulty to some extent is proposed. The applicability and accuracy of the TRICKS-TDDFT method is demonstrated through example calculations of several d(1) and d(2) transition metal complexes with tetrahedral and octahedral symmetries. For the most part, the results of these calculations are similar in quality to to those obtained from standard TDDFT calculations.

  9. Displays for future intermediate UAV

    Science.gov (United States)

    Desjardins, Daniel; Metzler, James; Blakesley, David; Rister, Courtney; Nuhu, Abdul-Razak

    2008-04-01

    The Dedicated Autonomous Extended Duration Airborne Long-range Utility System (DAEDALUS) is a prototype Unmanned Aerial Vehicle (UAV) that won the 2007 AFRL Commander's Challenge. The purpose of the Commander's Challenge was to find an innovative solution to urgent warfighter needs by designing a UAV with increased persistence for tactical employment of sensors and communication systems. DAEDALUS was chosen as a winning prototype by AFRL, AFMC and SECAF. Follow-on units are intended to fill an intermediate role between currently fielded Tier I and Tier II UAV's. The UAV design discussed in this paper, including sensors and displays, will enter Phase II for Rapid Prototype Development with the intent of developing the design for eventual production. This paper will discuss the DAEDALUS UAV prototype system, with particular focus on its communications, to include the infrared sensor and electro-optical camera, but also displays, specifically man-portable.

  10. Intermediate Jacobians of moduli spaces

    CERN Document Server

    Arapura, D; Arapura, Donu; Sastry, Pramathanath

    1996-01-01

    Let $SU_X(n,L)$ be the moduli space of rank n semistable vector bundles with fixed determinant L on a smooth projective genus g curve X. Let $SU_X^s(n,L)$ denote the open subset parametrizing stable bundles. We show that if g>3 and n > 1, then the mixed Hodge structure on $H^3(SU_X^s(n, L))$ is pure of type ${(1,2),(2,1)}$ and it carries a natural polarization such that the associated polarized intermediate Jacobian is isomorphic J(X). This is new when deg L and n are not coprime. As a corollary, we obtain a Torelli theorem that says roughly that $SU_X^s(n,L)$ (or $SU_X(n,L)$) determines X. This complements or refines earlier results of Balaji, Kouvidakis-Pantev, Mumford-Newstead, Narasimhan-Ramanan, and Tyurin.

  11. Intermediate inflation from rainbow gravity

    CERN Document Server

    Barrow, John D

    2013-01-01

    It is possible to dualize theories based on deformed dispersion relations and Einstein gravity so as to map them into theories with trivial dispersion relations and rainbow gravity. This often leads to "dual inflation" without the usual breaking of the strong energy condition. We identify the dispersion relations in the original frame which map into "intermediate" inflationary models. These turn out to be particularly simple: power-laws modulated by powers of a logarithm. The fluctuations predicted by these scenarios are near, but not exactly scale-invariant, with a red running spectral index. These dispersion relations deserve further study within the context of quantum gravity and the phenomenon of dimensional reduction in the ultraviolet.

  12. Cold-spray Ionization Mass Spectrometry for Characterization of Biomolecules in Solution

    Institute of Scientific and Technical Information of China (English)

    Kentaro YAMAGUCHI; Shigeru SAKAMOTO

    2003-01-01

    @@ A direct solution analysis method, coldspray ionization (CSI) mass spectrometry (MS)[1], a variant of electrospray (ESI) MS operating at low temperature (ca. - 80 ~ 10℃), allows facile and precise characterization of labile organic species, especially those in which non-covalent bonding interactions are prominent. We have applies this method to investigations of the solution structures of many labile organic species, including unstable reagents and reaction intermediates, asymmetric catalysts, supramolecules, and even primary biomolecules.

  13. Study in stationary state of the subcriticality of intermediate configurations of core in the reloading process of a BWR; Estudio en estado estacionario de la subcriticidad de configuraciones intermedias de nucleo en el proceso de recarga de un BWR

    Energy Technology Data Exchange (ETDEWEB)

    Hernandez, J.L.; Montes, J.L.; Perusquia, R.; Ortiz, J.J. [ININ, 52045 Ocoyoacac, Estado de Mexico (Mexico)]. e-mail: jlhm@nuclear.inin.mx

    2006-07-01

    In this work is carried out the simulation in three dimensions with the COREMASTER-PRESTO code, of the behavior of the reactor core in different stages of the change process of fuel assemblies. To carry out the simulation, this code requires of a database of nuclear parameters that includes those that can associate to the areas of an assemblies that they don't contain fuel and in its place there is moderator. These nuclear parameters are calculated with the AURORA-HELIOS-ZENITH-TABGEN system. One of the approaches that were carried out consisted on designing a 'water assemble', that is to say, an axial arrangement of 25 'water cells'. To obtain the appropriate 'water cell' its were carried out some selective test cases, since it presents in two cases the necessity to find an enough minimum value of fissile material for the correct execution of HELIOS, firstly, and later on COREMASTER-PRESTO. In the first case, the situation is solved when placing symmetrically 6 bars with natural uranium in the lateral areas of the cell; with that which the value of k{sub inf} of 0.1592 is obtained in the calculations with the HELIOS code in the cold condition to zero power (CZP), and 0% of vacuums. For the second case the cell includes symmetrically 28 bars with natural uranium, and the k{sub inf} value is 0.45290. These values are the maximum through the life of the 'cell.' As part of the activities that are developed during the fuel substitution, this the one of evaluating the subcriticality of the core each determined number of substitution movements. The obtained results when evaluating the k-effective in cold condition, in 5 different intermediate core configurations, as the loading process of the fuel advances are presented. To make the evaluation with CM-PRESTO in each configuration it was proceeded to complete the rest of the 444 assemblies with the one denominated 'water assemble'. In all the evaluated cases the

  14. Spectroscopy of the UO2+ cation and the delayed ionization of UO2

    Science.gov (United States)

    Merritt, Jeremy M.; Han, Jiande; Heaven, Michael C.

    2008-02-01

    Vibronically resolved spectra for the UO2+ cation have been recorded using the pulsed field ionization zero electron kinetic energy (PFI-ZEKE) technique. For the ground state, long progressions in both the bending and symmetric stretch vibrations were observed. Bend and stretch progressions of the first electronically excited state were also observed, and the origin was found at an energy of 2678cm-1 above the ground state zero-point level. This observation is consistent with a recent theoretical prediction [Infante et al., J. Chem. Phys. 127, 124308 (2007)]. The ionization energy for UO2, derived from the PFI-ZEKE spectrum, namely, 6.127(1)eV, is in excellent agreement with the value obtained from an earlier photoionization efficiency measurement. Delayed ionization of UO2 in the gas phase has been reported previously [Han et al., J. Chem. Phys. 120, 5155 (2004)]. Here, we extend the characterization of the delayed ionization process by performing a quantitative study of the ionization rate as a function of the energy above the ionization threshold. The ionization rate was found to be 5×106s-1 at threshold, and increased linearly with increasing energy in the range investigated (0-1200cm-1).

  15. Local thermodynamic equilibrium modeling of ionization of impurities in argon inductively coupled plasma

    Energy Technology Data Exchange (ETDEWEB)

    Serapinas, Petras, E-mail: serapinas@pfi.l [Institute of Theoretical Physics and Astronomy, Vilnius University, A. Gostauto 12, 01108 Vilnius (Lithuania); Salkauskas, Julius; Ezerinskis, Zilvinas; Acus, Arturas [Institute of Theoretical Physics and Astronomy, Vilnius University, A. Gostauto 12, 01108 Vilnius (Lithuania)

    2010-01-15

    Essentially higher ionization degree of small concentrations of elements in inductively coupled plasma in comparison to the ionization of pure elements is emphasized. This conclusion is used to determine the relative dependence of the sensitivity of the inductively coupled plasma mass spectrometer on the atomic mass. The possibility of evaluation of the ionization temperature and electron density from mass spectrometric signals is proposed. Temperatures about 7000 K and 8000 K were obtained from the ionization ratio dependences on ionization potentials. Electron densities of the order of magnitude 10{sup 15} cm{sup -3}, in excess to the local thermodynamic equilibrium values, follow from the application of the Saha equation to the measurement results and indicate the recombining character of the plasma in the mass spectrometer measurement region. Effects due to additional ionization from matrix were discussed. The effect is largest on minor abundant ionization state components. Matrix effect is restricted to some temperature interval, which depends on the whole matrix composition and the plasma state. The results show that the local thermodynamic equilibrium modeling, if adequately matching the sample composition, can be useful as a quantitative basis for both description of the plasma state and indication of the character of the nonequilibrium effects.

  16. Total and ionization cross-sections of N2 and CO by positron impact: Theoretical investigations

    Indian Academy of Sciences (India)

    Harshit N Kothari; K N Joshipura

    2011-03-01

    In this paper we report our calculations on several important total cross-sections (TCS) of positron impact on isoelectronic N2 and CO molecules, treated in the complex spherical potential formalism. Basically the total (complete) cross-section T consists of elastic and inelastic contributions. Our total inelastic cross-section (inel) contains ionization and electronic excitations together with positronium formation. Our goal here is to bifurcate inel further to deduce total ionization cross-section, using the `complex scattering potential–ionization contribution’ (CSP-ic) method of electron–atom/molecule scattering. The present range of positron energy is 15–2000 eV. All the resulting cross-sections are in a good general accord with the existing data. This work highlights the importance of various scattering channels in + - 2 and + - CO interactions at intermediate and high energies.

  17. Electron scattering and ionization of ozone, O{sub 2} and O{sub 4} molecules

    Energy Technology Data Exchange (ETDEWEB)

    Joshipura, K.N.; Antony, B.K. [Department of Physics, Sardar Patel University, Vallabh Vidyanagar (India); Vinodkumar, Minaxi [Department of Physics, Sardar Patel University, Vallabh Vidyanagar (India); VP and RPTP Science College, Vallabh Vidyanagar (India)

    2002-10-28

    Total cross sections (TCSs) including ionization cross sections for the impact of intermediate and high energy electrons on ozone as well as O, O{sub 2} and O{sub 4} targets are calculated and compared with available measurements. The calculation proceeds through a complex energy-dependent potential derived from the atomic/molecular electron charge density. The summed total inelastic cross sections determined in this formalism are used to derive total ionization cross sections Q{sub ion}, as done in our recent work on many other atomic and molecular targets. The present TCS results show good accord with the recent experimental data on e-O{sub 3} scattering, but the corresponding ionization results favour the available theoretical rather than the experimental data. Our results on atomic and molecular oxygen show good accord with previous investigations of other workers. Preliminary estimates on O{sub 4} are also given. (author)

  18. Multiple ionization of rare gases in coincidence with X-ray emission

    Energy Technology Data Exchange (ETDEWEB)

    Justiniano, E.; Konrad, J.; Schuch, R.

    1989-04-01

    We present results of a multicoincident experiment where the multiple ionization of selected rare gases after collisions with 115 MeV S/sup Q+/ ions (Q = 13, 15, 16) was studied. In this work we have measured the charge state of the collisionally ionized target atom in simultaneous coincidence with the final charge state of the projectile ion and with a projectile K X-ray. For events proceeding through single electron capture, the coincidence conditions allowed us to distinguish events where capture is allowed to populate the projectile K shell, from whose where capture populates only higher excited states in the projectile. Changes in the degree of multiple ionization of the ionized target atoms were observed in one case with respect to the other. (orig.).

  19. Optimal choice of pH for toxicity and bioaccumulation studies of ionizing organic chemicals

    DEFF Research Database (Denmark)

    Rendal, Cecilie; Kusk, Kresten Ole; Trapp, Stefan

    2011-01-01

    It is recognized that the pH of exposure solutions can influence the toxicity and bioaccumulation of ionizing compounds. The present study investigates whether it can be considered a general rule that an ionizable compound is more toxic and more bioaccumulative when in the neutral state. Three...... processes were identified to explain the behavior of ionizing compounds with changing pH: the change in lipophilicity when a neutral compound becomes ionized, electrical attraction, and the ion trap. The literature was screened for bioaccumulation and toxicity tests of ionizing organic compounds performed...... a dynamic flux model based on the Fick-Nernst-Planck diffusion equation known as the cell model. The cell model predicts that bases with delocalized charges may in some cases show declining bioaccumulation with increasing pH. Little information is available for amphoteric and zwitterionic compounds; however...

  20. Monte Carlo wave packet approach to dissociative multiple ionization in diatomic molecules

    DEFF Research Database (Denmark)

    Leth, Henriette Astrup; Madsen, Lars Bojer; Mølmer, Klaus

    2010-01-01

    A detailed description of the Monte Carlo wave packet technique applied to dissociative multiple ionization of diatomic molecules in short intense laser pulses is presented. The Monte Carlo wave packet technique relies on the Born-Oppenheimer separation of electronic and nuclear dynamics...... and provides a consistent theoretical framework for treating simultaneously both ionization and dissociation. By simulating the detection of continuum electrons and collapsing the system onto either the neutral, singly ionized or doubly ionized states in every time step the nuclear dynamics can be solved....... The computational effort is restricted and the model is applicable to any molecular system where electronic Born-Oppenheimer curves, dipole moment functions, and ionization rates as a function of nuclear coordinates can be determined....