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Sample records for two-electron positive ions

  1. Ion-acoustic solitons in negative ion plasma with two-electron temperature distributions

    Energy Technology Data Exchange (ETDEWEB)

    Mishra, M. K.; Tiwari, R. S.; Chawla, J. K. [Department of Physics, University of Rajasthan, Jaipur-302004 (India)

    2012-06-15

    Ion-acoustic solitons in a warm positive and negative ion species with different masses, concentrations, and charge states with two electron temperature distributions are studied. Using reductive perturbation method, Korteweg de-Vries (KdV) and modified-KdV (m-KdV) equations are derived for the system. The soliton solution of the KdV and m-KdV equations is discussed in detail. It is found that if the ions have finite temperatures, then there exist two types of modes, namely slow and fast ion-acoustic modes. It is also investigated that the parameter determining the nature of soliton (i.e., whether the system will support compressive or rarefactive solitons) is different for slow and fast modes. For the slow mode, the parameter is the relative temperature of the two ion species; whereas for the fast mode, it is the relative concentration of the two ion species. At a critical concentration of negative ions, both compressive and rarefactive solitons coexist. The amplitude and width of the solitons are discussed in detail at critical concentration for m-KdV solitons. The effect of the relative temperature of the two-electron and cold-electron concentration on the characteristics of the solitons are also discussed.

  2. Vacuum polarization screening corrections to the ground state energy of two-electron ions

    CERN Document Server

    Artemiev, A N; Yerokhin, V A

    1997-01-01

    Vacuum polarization screening corrections to the ground state energy of two-electron ions are calculated in the range $Z=20-100$. The calculations are carried out for a finite nucleus charge distribution.

  3. Nonrelativistic structure calculations of two-electron ions in a strongly coupled plasma environment

    Energy Technology Data Exchange (ETDEWEB)

    Bhattacharyya, S.; Saha, J. K.; Mukherjee, T. K.

    2015-04-01

    In this work, the controversy between the interpretations of recent measurements on dense aluminum plasma created with the Linac coherent light source (LCLS) x-ray free electron laser (FEL) and the Orion laser has been addressed. In both kinds of experiments, heliumlike and hydrogenlike spectral lines are used for plasma diagnostics. However, there exist no precise theoretical calculations for He-like ions within a dense plasma environment. The strong need for an accurate theoretical estimate for spectral properties of He-like ions in a strongly coupled plasma environment leads us to perform ab initio calculations in the framework of the Rayleigh-Ritz variation principle in Hylleraas coordinates where an ion-sphere potential is used. An approach to resolve the long-drawn problem of numerical instability for evaluating two-electron integrals with an extended basis inside a finite domain is presented here. The present values of electron densities corresponding to the disappearance of different spectral lines obtained within the framework of an ion-sphere potential show excellent agreement with Orion laser experiments in Al plasma and with recent theories. Moreover, this method is extended to predict the critical plasma densities at which the spectral lines of H-like and He-like carbon and argon ions disappear. Incidental degeneracy and level-crossing phenomena are being reported for two-electron ions embedded in strongly coupled plasma. Thermodynamic pressure experienced by the ions in their respective ground states inside the ion spheres is also reported.

  4. Ab-initio calculations on two-electron ions in strongly coupled plasma environment

    CERN Document Server

    Bhattacharyya, S; Mukherjee, T K

    2015-01-01

    In this work, the controversy between the interpretations of recent measurements on dense aluminum plasma created with Linac coherent light sources (LCLS) X-ray free electron laser (FEL) and Orion laser has been addressed. In both kind of experiments, helium-like and hydrogen-like spectral lines are used for plasma diagnostics . However, there exist no precise theoretical calculations for He-like ions within dense plasma environment. The strong need for an accurate theoretical estimates for spectral properties of He-like ions in strongly coupled plasma environment leads us to perform ab initio calculations in the framework of Rayleigh-Ritz variation principle in Hylleraas coordinates where ion-sphere potential is used. An approach to resolve the long-drawn problem of numerical instability for evaluating two-electron integrals with extended basis inside a finite domain is presented here. The present values of electron densities corresponding to disappearance of different spectral lines obtained within the fram...

  5. Shannon Information Entropy in Position Space for Two-Electron Atomic Systems

    CERN Document Server

    Lin, Chien-Hao

    2015-01-01

    Entropic measures provide analytic tools to help us understand correlation in quantum systems. In our previous work, we calculated linear entropy and von Neumann entropy as entanglement measures for the ground state and lower lying excited states in helium-like systems. In this work, we adopt another entropic measure, Shannon entropy, to probe the nature of correlation effects. Besides the results of the Shannon entropy in coordinate space for the singlet ground states of helium-like systems including positronium negative ion, hydrogen negative ion, helium atom, and lithium positive ion, we also show results for systems with nucleus charge around the ionization threshold.

  6. Two-electron and one-photon transitions in highly charged nickel-like ions

    Institute of Scientific and Technical Information of China (English)

    Xie Lu-You; Dong Chen-Zhong; Jiang Jun; Wan Jian-Jie; Yan Jun

    2008-01-01

    This paper calculates the transition wavelengths and probabilities of the two-electron and one-photon(TEOP) transition from the(38-11/24dj)J:1,2 to(3p-13/24s1/2)J=1 and the(3p-11/2481/2)J=1 to(3d-1j4dj1)J=1,2 for highly charged Ni-like ions with atomic number Z in the range 47≤Z≤92.In the calculations,the multi-configuration Dirac-Fock method and corresponding program packages GRASP92 and REOS99 were used,and the relativistic effects,correlation effects and relaxation effects were considered systematically.It is found that the TEOP transitions are very sensitive to the correlation of electrons,and the probabilities will be enhanced sharply in some special Z regions along the isoelectronic sequence.The present TEOP transition wavelengths are compared with the available data from some previous publications,good agreement is obtained.

  7. Ion-acoustic solitons, double layers and supersolitons in a plasma with two ion- and two electron species

    Energy Technology Data Exchange (ETDEWEB)

    Olivier, C. P., E-mail: colivier@sansa.org.za; Maharaj, S. K., E-mail: smaharaj@sansa.org.za [South African National Space Agency (SANSA) Space Science, P. O. Box 32, Hermanus 7200 (South Africa); Bharuthram, R., E-mail: rbharuthram@uwc.ac.za [University of the Western Cape, Robert Sobukwe Road, Bellville 7535 (South Africa)

    2015-08-15

    The polarity of ion-acoustic solitons that arise in a plasma with two (same mass, different temperature) ion species and two (different temperature) electron species is investigated. Two different fluid models are compared. The first model treats all species as adiabatic fluids, while the second model treats the ion species as adiabatic, and the electron species as isothermal. Nonlinear structures are analysed via the reductive perturbation analysis and pseudo-potential analysis. Each model supports both slow and fast ion-acoustic solitons, associated with the two (slow and fast) ion-acoustic speeds. The models support both positive and negative polarity solitons associated with the slow ion-acoustic speed. Moreover, results are in good agreement, and both models support positive and negative polarity double layers. For the fast ion-acoustic speed, the first model supports only positive polarity solitons, while the second model supports solitons of both polarity, coexistence of positive and negative polarity solitons, double layers and supersolitons. A novel feature of our analysis is the evaluation of nonlinear structures at critical number densities where polarity changes occur. This analysis shows that solitons that occur at the acoustic speed are neither a necessary nor a sufficient condition for the phenomenon of coexistence. The relationship between the existence regions of supersolitons and soliton polarity is also discussed.

  8. Ion-acoustic Gardner Solitons in electron-positron-ion plasma with two-electron temperature distributions

    Science.gov (United States)

    Rehman, Momin A.; Mishra, M. K.

    2016-01-01

    The ion-acoustic solitons in collisionless plasma consisting of warm adiabatic ions, isothermal positrons, and two temperature distribution of electrons have been studied. Using reductive perturbation method, Korteweg-de Vries (K-dV), the modified K-dV (m-KdV), and Gardner equations are derived for the system. The soliton solution of the Gardner equation is discussed in detail. It is found that for a given set of parameter values, there exists a critical value of β=Tc/Th, (ratio of cold to hot electron temperature) below which only rarefactive KdV solitons exist and above it compressive KdV solitons exist. At the critical value of β, both compressive and rarefactive m-KdV solitons co-exist. We have also investigated the soliton in the parametric regime where the KdV equation is not valid to study soliton solution. In this region, it is found that below the critical concentration the system supports rarefactive Gardner solitons and above it compressive Gardner solitons are found. The effects of temperature ratio of two-electron species, cold electron concentration, positron concentration on the characteristics of solitons are also discussed.

  9. Correlated Two-Electron Capture by Ion with Emission of Photon

    Science.gov (United States)

    Mikhailov, A. I.

    2005-05-01

    The correlated double electron capture into the K shell of bare ions with emission of a single photon is considered. The process is treated as a time-reversed atomic double photoionization. For ten years of experimental investigations there is no evidence of existence of the reaction. There is a theoretical prediction (Phys. Rev. A 55 (1997) 1952), that a probability of the process grows rapidly with the ion charge due to relativistic effects and that the cross section does not depend on target atoms. However the recent experiment (GSI Scien.Rep., ISSN 174 (2001) 98) failed to observe this process under the recommended conditions. The present work reveals an incorrectness of those theoretical predictions and provides an expression to determine optimal experimental conditions for observing the process. We suggest to use ion beams slower than those in the experiment (NIM B98 (1995)303), and do not recommend to use heavy ions. We show that the cross section can increase significantly for solid-state targets and decelerated ion beams. The novel technique of deceleration of multicharged ions planned at GSI can be applied to perform such experiments.

  10. The ATLAS positive ion injector

    Energy Technology Data Exchange (ETDEWEB)

    Shepard, K.W.; Bollinger, L.M.; Pardo, R.C.

    1990-01-01

    This paper reviews the design, construction status, and beam tests to date of the positive ion injector (PII) which is replacing the tandem injector for the ATLAS heavy-ion facility. PII consists of an ECR ion source on a 350 KV platform injecting a very low velocity superconducting linac. The linac is composed of an independently-phased array of superconducting four-gap interdigital resonators which accelerate over a velocity range of .006 to .05c. In finished form, PII will be able to inject ions as heavy as uranium into the existing ATLAS linac. Although at the present time little more than 50% of the linac is operational, the indenpently-phased array is sufficiently flexible that ions in the lower half of the periodic table can be accelerated and injected into ATLAS. Results of recent operational experience will be discussed. 5 refs.

  11. The case for synchrotron radiation studies of two-electron ions, atoms, and molecules at the ALS

    Science.gov (United States)

    Lubell, M. S.

    1995-05-01

    The theoretical description of two-electron systems has remained one of the most vexing problems in atomic physics since Bohr first introduced the concept of the quantized atom in 1913. Despite the diversity in approach, a degree of orthodoxy developed over the course of many years for characterizing and clasifying the discrete spectrum of two-electron states and for describing the features of the near-threshold double continuum. The last four years have seen this orthodoxy challenged both theoretically and experimentally. As a result, a strong need exists for additional experimental investigations of two-electron systems. We will first examine the long-held orthodox views and the recent challenges to them. We will then review the details and status of a new program at the Advanced Light Source (ALS) of Lawrence Berkeley Laboratory that has been developed by the NAU8 Collaboration to address this need.

  12. Role of two-electron processes in the excitation-ionization of lithium atoms by fast ion impact

    CERN Document Server

    Kirchner, T; Gulyás, L

    2015-01-01

    We study excitation and ionization in the 1.5 MeV/amu O$^{8+}$-Li collision system, which was the subject of a recent reaction-microscope-type experiment [Fischer \\textit{et al.}, Phys. Rev. Lett. \\textbf{109}, 113202 (2012)]. Starting from an independent-electron model based on determinantal wave functions and using single-electron basis generator method and continuum distorted-wave with eikonal initial-state calculations we show that pure single ionization of a lithium $K$-shell electron is too weak a process to explain the measured single differential cross section. Rather, our analysis suggests that two-electron excitation-ionization processes occur and have to be taken into account when comparing with the data. Good agreement is obtained only if we replace the independent-electron calculation by an independent-event model for one of the excitation-ionization processes and also take a shake-off process into account.

  13. Positive semidefinite tensor factorizations of the two-electron integral matrix for low-scaling ab initio electronic structure

    Energy Technology Data Exchange (ETDEWEB)

    Hoy, Erik P.; Mazziotti, David A., E-mail: damazz@uchicago.edu [Department of Chemistry and The James Franck Institute, The University of Chicago, Chicago, Illinois 60637 (United States)

    2015-08-14

    Tensor factorization of the 2-electron integral matrix is a well-known technique for reducing the computational scaling of ab initio electronic structure methods toward that of Hartree-Fock and density functional theories. The simplest factorization that maintains the positive semidefinite character of the 2-electron integral matrix is the Cholesky factorization. In this paper, we introduce a family of positive semidefinite factorizations that generalize the Cholesky factorization. Using an implementation of the factorization within the parametric 2-RDM method [D. A. Mazziotti, Phys. Rev. Lett. 101, 253002 (2008)], we study several inorganic molecules, alkane chains, and potential energy curves and find that this generalized factorization retains the accuracy and size extensivity of the Cholesky factorization, even in the presence of multi-reference correlation. The generalized family of positive semidefinite factorizations has potential applications to low-scaling ab initio electronic structure methods that treat electron correlation with a computational cost approaching that of the Hartree-Fock method or density functional theory.

  14. Positive semidefinite tensor factorizations of the two-electron integral matrix for low-scaling ab initio electronic structure.

    Science.gov (United States)

    Hoy, Erik P; Mazziotti, David A

    2015-08-14

    Tensor factorization of the 2-electron integral matrix is a well-known technique for reducing the computational scaling of ab initio electronic structure methods toward that of Hartree-Fock and density functional theories. The simplest factorization that maintains the positive semidefinite character of the 2-electron integral matrix is the Cholesky factorization. In this paper, we introduce a family of positive semidefinite factorizations that generalize the Cholesky factorization. Using an implementation of the factorization within the parametric 2-RDM method [D. A. Mazziotti, Phys. Rev. Lett. 101, 253002 (2008)], we study several inorganic molecules, alkane chains, and potential energy curves and find that this generalized factorization retains the accuracy and size extensivity of the Cholesky factorization, even in the presence of multi-reference correlation. The generalized family of positive semidefinite factorizations has potential applications to low-scaling ab initio electronic structure methods that treat electron correlation with a computational cost approaching that of the Hartree-Fock method or density functional theory.

  15. Ion-Acoustic Vortices in Two-Electron-Temperature Magnetoplasma with Cairn's Distributed Electrons and in the Presence of Ion Shear Flow

    Science.gov (United States)

    Haque, Q.; Mirza, Arshad M.; Iqbal, Javed

    2016-04-01

    Linear and nonlinear characteristics of electrostatic waves in a multicomponent magnetoplasma comprising of Boltzmann distributed electrons, Cairn's distributed hot electrons, and cold dynamic ions are studied. It is found that the effect of superthermal electrons, ion-neutral collisions, and ion shear flow modifies the propagation of ion-acoustic and drift waves. The growth rate of the ion shear flow instability varies with the addition of Cairn's distributed hot electrons. It is also investigated that the behavior of different type of vortices changes with the inclusion of superthermal hot electrons. The relevance of this investigation in space plasmas such as in auroral region and geomagnetic tail is also pointed out.

  16. Existence domains of arbitrary amplitude nonlinear structures in two-electron temperature space plasmas. I. Low-frequency ion-acoustic solitons

    Energy Technology Data Exchange (ETDEWEB)

    Maharaj, S. K. [South African National Space Agency (SANSA) Space Science, P.O. Box 32, Hermanus 7200 (South Africa); Bharuthram, R. [University of the Western Cape, Modderdam Road, Bellville 7530 (South Africa); Singh, S. V. [Indian Institute of Geomagnetism, New Panvel (West), Navi Mumbai 410218 (India); School of Physics, University of KwaZulu-Natal, Private Bag X54001, Durban 4000 (South Africa); Lakhina, G. S. [Indian Institute of Geomagnetism, New Panvel (West), Navi Mumbai 410218 (India)

    2012-07-15

    Using the Sagdeev pseudopotential technique, the existence of large amplitude ion-acoustic solitons is investigated for a plasma composed of ions, and hot and cool electrons. Not only are all species treated as adiabatic fluids but the model for which inertial effects of the hot electrons is neglected whilst retaining inertia and pressure for the ions and cool electrons has also been considered. The focus of this investigation has been on identifying the admissible Mach number ranges for large amplitude nonlinear ion-acoustic soliton structures. The lower Mach number limit yields a minimum velocity for the existence of ion-acoustic solitons. The upper Mach number limit for positive potential solitons is found to coincide with the limiting value of the potential (positive) beyond which the ion number density ceases to be real valued, and ion-acoustic solitons can no longer exist. Small amplitude solitons having negative potentials are found to be supported when the temperature of the cool electrons is negligible.

  17. LHC Report: Positive ion run!

    CERN Multimedia

    Mike Lamont for the LHC Team

    2011-01-01

    The current LHC ion run has been progressing very well. The first fill with 358 bunches per beam - the maximum number for the year - was on Tuesday, 15 November and was followed by an extended period of steady running. The quality of the beam delivered by the heavy-ion injector chain has been excellent, and this is reflected in both the peak and the integrated luminosity.   The peak luminosity in ATLAS reached 5x1026 cm-2s-1, which is a factor of ~16 more than last year's peak of 3x1025 cm-2s-1. The integrated luminosity in each of ALICE, ATLAS and CMS is now around 100 inverse microbarn, already comfortably over the nominal target for the run. The polarity of the ALICE spectrometer and solenoid magnets was reversed on Monday, 28 November with the aim of delivering another sizeable amount of luminosity in this configuration. On the whole, the LHC has been behaving very well recently, ensuring good machine availability. On Monday evening, however, a faulty level sensor in the cooling towe...

  18. Two-Electron Transfer Pathways.

    Science.gov (United States)

    Lin, Jiaxing; Balamurugan, D; Zhang, Peng; Skourtis, Spiros S; Beratan, David N

    2015-06-18

    The frontiers of electron-transfer chemistry demand that we develop theoretical frameworks to describe the delivery of multiple electrons, atoms, and ions in molecular systems. When electrons move over long distances through high barriers, where the probability for thermal population of oxidized or reduced bridge-localized states is very small, the electrons will tunnel from the donor (D) to acceptor (A), facilitated by bridge-mediated superexchange interactions. If the stable donor and acceptor redox states on D and A differ by two electrons, it is possible that the electrons will propagate coherently from D to A. While structure-function relations for single-electron superexchange in molecules are well established, strategies to manipulate the coherent flow of multiple electrons are largely unknown. In contrast to one-electron superexchange, two-electron superexchange involves both one- and two-electron virtual intermediate states, the number of virtual intermediates increases very rapidly with system size, and multiple classes of pathways interfere with one another. In the study described here, we developed simple superexchange models for two-electron transfer. We explored how the bridge structure and energetics influence multielectron superexchange, and we compared two-electron superexchange interactions to single-electron superexchange. Multielectron superexchange introduces interference between singly and doubly oxidized (or reduced) bridge virtual states, so that even simple linear donor-bridge-acceptor systems have pathway topologies that resemble those seen for one-electron superexchange through bridges with multiple parallel pathways. The simple model systems studied here exhibit a richness that is amenable to experimental exploration by manipulating the multiple pathways, pathway crosstalk, and changes in the number of donor and acceptor species. The features that emerge from these studies may assist in developing new strategies to deliver multiple

  19. Radiocarbon positive-ion mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Freeman, Stewart P.H.T.; Shanks, Richard P. [Scottish Universities Environmental Research Centre (SUERC), Scottish Enterprise Technology Park, East Kilbride G75 0QF (United Kingdom); Donzel, Xavier; Gaubert, Gabriel [Pantechnik S.A., 13 Rue de la Résistance, 14400 Bayeux (France)

    2015-10-15

    Proof-of-principle of a new mass spectrometric technique for radiocarbon measurement is demonstrated. Interfering nitrogen and hydrocarbon molecules are largely eliminated in a charge-exchange cell operating on non-metallic gas. The positive-to-negative ion conversion is the reverse of that conventionally used in accelerator mass spectrometry (AMS) and is compatible with plasma ion sources that may be significantly more efficient and capable of greater output than are AMS sputter ion sources. The Nanogan electron cyclotron resonance (ECR) ion source employed exhibited no sample memory and the >50 kyrs age range of AMS was reproduced. A bespoke prototype new instrument is now required to optimise the plasma and cell physics and to realise hypothetical performance gains over AMS.

  20. Formation of thin film of negative and positive ions

    Energy Technology Data Exchange (ETDEWEB)

    Horino, Yuji; Tsubouchi, Nobuteru [Osaka National Research Inst., AIST, Ikeda (Japan)

    1997-02-01

    Positive and negative ions deposition apparatus (PANDA) was developed by us as new synthesis method of materials. This apparatus is able to form simultaneously or independently the positive and negative ion beams to separate the mass and to control the energy from 10 eV to 3 KeV. It consists of positive beam line, negative beam line and a film formation room. Microwave discharge ion source and plasma sputtering source are used as the positive ion and the negative ion source, respectably. The beam generation test was carried out. The negative ion beams were generated from silicon wafer (target) and measured by MS. The mass spectrum of extracted negative silicon beams showed mass number 28, 29, and 30 of Si{sup -} and Si{sub 2}{sup -}. It proved that ions were separated in the isotope level. Therefore, film, it`s purity is isotope level, may be formed by such ion beams. (S.Y.)

  1. Excitation of gases with positive ions

    Energy Technology Data Exchange (ETDEWEB)

    Sercel, P.C.; Bashkin, S.; Anderson, J.A.; Thiede, D.A.; Bruch, R.F.; DeWitt, D.; Fuelling, S.

    1988-04-01

    The aurora borealis presents problems the solutions to which depend partly on knowing the cross sections for the excitation of states in atmospheric gases by the impact of energetic protons and electrons. We have begun a study of the excitation processes induced in N/sub 2/ and O/sub 2/ by energetic incident positive ions (H/sup +/, H/sub 2//sup +/, H/sub 3//sup +/). The particles, accelerated with a 2 MV Van de Graaff accelerator, enter a differentially pumped gas cell in which the pressure can be varied up to 80 mTorr and held constant to 0.1 mTorr at each setting. Light generated in the cell is observed at 90/sup 0/ to the particle beam. The light is reflected by a mirror system so as to enter the input slit of a 1-m, air, Czerny-Turner spectrometer. The 1200 l/mm grating is blazed at 500 nm. A cooled 9659B photomultiplier tube detects the light which appears at the exit slit, and transmits intensity information to a 4000-channel multiscaler. The incident beam is received on an insulated plate, and the collected charge provides a signal which advances both the grating angle and the channel in the multiscaler. Using a line width of 0.03 to 0.1 nm, we have obtained spectra from 360 to 750 nm. Many transitions have been identified, most from N/sub 2//sup +/ O/sub 2//sup -/, but some from neutral molecules and monatomic emitters. Data have been taken as a function of pressure and type of incident particle for a particle velocity corresponding to 500 keV protons. There is no discernible difference in relative yield for the different bombarding species. The line intensities all appear to be linear with pressure over the range we used. We will describe our results and discuss our approach to making cross-section measurements. Possible extensions of the experiments into different directions will also be mentioned.

  2. ORNL positive ion neutral beam program

    Energy Technology Data Exchange (ETDEWEB)

    Whealton, J.H.; Haselton, H.H.; Barber, G.C.

    1978-01-01

    The neutral beam group at Oak Ridge National Laboratory has constructed neutral beam generators for the ORMAK and PLT devices, is presently constructing neutral beam devices for the ISX and PDX devices, and is contemplating the construction of neutral beam systems for the advanced TNS device. These neutral beam devices stem from the pioneering work on ion sources of G. G. Kelley and O. B. Morgan. We describe the ion sources under development at this Laboratory, the beam optics exhibited by these sources, as well as some theoretical considerations, and finally the remainder of the beamline design.

  3. Ion flow and sheath structure near positively biased electrodes

    Science.gov (United States)

    Hood, R.; Scheiner, B.; Baalrud, S. D.; Hopkins, M. M.; Barnat, E. V.; Yee, B. T.; Merlino, R. L.; Skiff, F.

    2016-11-01

    What effect does a dielectric material surrounding a small positively biased electrode have on the ion flow and sheath structure near the electrode? Measurements of the ion velocity distribution function and plasma potential near positively biased electrodes were made using laser-induced fluorescence and an emissive probe. The results were compared with 2D particle-in-cell simulations. Both measurements and simulations showed that when the positive electrode was surrounded by the dielectric material, ions were accelerated toward the electrode to approximately 0.5 times the ion sound speed before being deflected radially by the electron sheath potential barrier of the electrode. The axial potential profile in this case contained a virtual cathode. In comparison, when the dielectric material was removed from around the electrode, both the ion flow and virtual cathode depth near the electrode were dramatically reduced. These measurements suggest that the ion presheath from the dielectric material surrounding the electrode may enclose the electron sheath of the electrode, resulting in a virtual cathode that substantially influences the ion flow profile in the region.

  4. Performance of positive ion based high power ion source of EAST neutral beam injector

    Science.gov (United States)

    Hu, Chundong; Xie, Yahong; Xie, Yuanlai; Liu, Sheng; Xu, Yongjian; Liang, Lizhen; Jiang, Caichao; Li, Jun; Liu, Zhimin

    2016-02-01

    The positive ion based source with a hot cathode based arc chamber and a tetrode accelerator was employed for a neutral beam injector on the experimental advanced superconducting tokamak (EAST). Four ion sources were developed and each ion source has produced 4 MW @ 80 keV hydrogen beam on the test bed. 100 s long pulse operation with modulated beam has also been tested on the test bed. The accelerator was upgraded from circular shaped to diamond shaped in the latest two ion sources. In the latest campaign of EAST experiment, four ion sources injected more than 4 MW deuterium beam with beam energy of 60 keV into EAST.

  5. Small radio frequency driven multicusp ion source for positive hydrogen ion beam production

    Energy Technology Data Exchange (ETDEWEB)

    Perkins, L.T.; Herz, P.R.; Leung, K.N.; Pickard, D.S. (Lawrence Berkeley Laboratory, University of California, Berkeley, California 94720 (United States))

    1994-04-01

    A compact, 2.5 cm diam rf-driven multicusp ion source has been developed and tested for H[sup +] ion production in pulse mode operation. The source is optimized for atomic hydrogen ion species and extractable current. It is found that hydrogen ion beam current densities in excess of 650 mA/cm[sup 2] can be achieved with H[sup +] species above 80%. The geometry and position of the porcelain-coated copper antenna were found to be of great significance in relation to the efficiency of the ion source.

  6. A Tale of Two Electrons: Correlation at High Density

    CERN Document Server

    Loos, Pierre-François

    2010-01-01

    We review our recent progress in the determination of the high-density correlation energy $\\Ec$ in two-electron systems. Several two-electron systems are considered, such as the well known helium-like ions (helium), and the Hooke's law atom (hookium). We also present results regarding two electrons on the surface of a sphere (spherium), and two electrons trapped in a spherical box (ballium). We also show that, in the large-dimension limit, the high-density correlation energy of two opposite-spin electrons interacting {\\em via} a Coulomb potential is given by $\\Ec \\sim -1/(8D^2)$ for any radial external potential $V(r)$, where $D$ is the dimensionality of the space. This result explains the similarity of $\\Ec$ in the previous two-electron systems for $D=3$.

  7. Efficiency of position sensitive PPAC for various ions

    CERN Document Server

    Hua Hui; Li Xiang Qing; Qian Tao; Wu He Yu; JinGenMing; Tan Ji Lian; Zhan Wen Long; Duan Li Min; Xiao Zhi Guang; Guo Zhong Yan; Li Zu Yu; Wang Hong Wei; Wang Shu Fan

    2002-01-01

    The detection efficiencies of a position sensitive parallel plate avalanche counter, measured with 40 MeV/u sup 1 sup 7 N beam bombarding on a 621 mg/cm sup 2 sup 1 sup 9 sup 7 Au target, were observed to be significantly different for different ions from helium to oxygen. Furthermore, for a given type of ion, the efficiency decreases with the increase of the incident energy.

  8. Ion-acoustic double layers in magnetized positive-negative ion plasmas with nonthermal electrons

    Science.gov (United States)

    El-Labany, S. K.; Sabry, R.; El-Taibany, W. F.; Elghmaz, E. A.

    2012-07-01

    The nonlinear ion-acoustic double layers (IADLs) in a warm magnetoplasma with positive-negative ions and nonthermal electrons are investigated. For this purpose, the hydrodynamic equations for the positive-negative ions, nonthermal electron density distribution, and the Poisson equation are used to derive a modified Zakharov-Kuznetsov (MZK) equation, in the small amplitude regime. It is found that compressive and rarefactive IADLs strongly depend on the mass and density ratios of the negative-to-positive ions as well as the nonthermal electron parameter. Also, it is shown that there are one critical value for the density ratio of the negative-to-positive ions ( ν), the ratio between unperturbed electron-to-positive ion density ( μ), and the nonthermal electron parameter ( β), which decide the existence of positive and negative IADLs. The present study is applied to examine the small amplitude nonlinear IADL excitations for the (H+, O2-) and (H+,H-) plasmas, where they are found in the D- and F-regions of the Earth's ionosphere. This investigation should be helpful in understanding the salient features of the nonlinear IADLs in either space or laboratory plasmas where two distinct groups of ions and non-Boltzmann distributed electrons are present.

  9. ENERGETIC PHOTON AND ELECTRON INTERACTIONS WITH POSITIVE IONS

    Energy Technology Data Exchange (ETDEWEB)

    Phaneuf, Ronald A. [UNR

    2013-07-01

    The objective of this research is a deeper understanding of the complex multi-electron interactions that govern inelastic processes involving positive ions in plasma environments, such as those occurring in stellar cares and atmospheres, x-ray lasers, thermonuclear fusion reactors and materials-processing discharges. In addition to precision data on ionic structure and transition probabilities, high resolution quantitative measurements of ionization test the theoretical methods that provide critical input to computer codes used for plasma modeling and photon opacity calculations. Steadily increasing computational power and a corresponding emphasis on simulations gives heightened relevance to precise and accurate benchmark data. Photons provide a highly selective probe of the internal electronic structure of atomic and molecular systems, and a powerful means to better understand more complex electron-ion interactions.

  10. Increasing positive ion number densities below the peak of ion-electron pair production in Titan's ionosphere

    Energy Technology Data Exchange (ETDEWEB)

    Vigren, E.; Galand, M. [Department of Physics, Imperial College London, London SW7 2AZ (United Kingdom); Shebanits, O.; Wahlund, J.-E. [Swedish Institute of Space Physics, P.O. Box 537, SE-751 21 Uppsala (Sweden); Geppert, W. D. [Department of Physics, Stockholm University, SE-10691 Stockholm (Sweden); Lavvas, P. [Groupe de Spectrométrie Moléculaire et Atmosphérique, Université Reims Champagne-Ardenne, UMR 7331, F-51687 Reims (France); Vuitton, V. [Institut de Planétologie et d' Astrophysique de Grenoble (IPAG), UJF-Grenoble/CNRS-INSU, UMR 5274, F-38041 Grenoble (France); Yelle, R. V., E-mail: erik.vigren@irfu.se [Lunar and Planetary Laboratory, University of Arizona, Tucson, AZ 85721-0092 (United States)

    2014-05-01

    We combine derived ion-electron pair formation rates with Cassini Radio Plasma Wave Science Langmuir Probe measurements of electron and positive ion number densities in Titan's sunlit ionosphere. We show that positive ion number densities in Titan's sunlit ionosphere can increase toward significantly lower altitudes than the peak of ion-electron pair formation despite that the effective ion-electron recombination coefficient increases. This is explained by the increased mixing ratios of negative ions, which are formed by electron attachment to neutrals. While such a process acts as a sink for free electrons, the positive ions become longer-lived as the rate coefficients for ion-anion neutralization reactions are smaller than those for ion-electron dissociative recombination reactions.

  11. Gravitational force between two electrons in superconductors

    CERN Document Server

    de Matos, Clovis Jacinto

    2007-01-01

    The attractive gravitational force between two electrons in superconductors is deduced from the Eddington-Dirac large number relation, together with Beck and Mackey electromagnetic model of vacuum energy in superconductors. This force is estimated to be weaker than the gravitational attraction between two electrons in the vacuum.

  12. Propagation and oblique collision of electron-acoustic solitons in two-electron-populated quantum plasmas

    Indian Academy of Sciences (India)

    M Akbari-Moghanjoughi; N Ahmadzadeh-Khosroshahi

    2011-08-01

    Oblique interaction of small- but finite-amplitude KdV-type electron-acoustic solitary excitations is examined in an unmagnetized two-electron-populated degenerate quantum electron–ion plasma in the framework of quantum hydrodynamics model using the extended Poincaré–Lighthill–Kuo (PLK) perturbation method. Critical plasma parameter is found to distinguish the types of solitons and their interaction phase-shifts. It is shown that, depending on the critical quantum diffraction parameter cr, both compressive and rarefactive solitary excitations may exist in this plasma and their collision phase-shifts can be either positive or negative for the whole range of collision angles 0 < θ < .

  13. On proton excitation of forbidden lines in positive ions

    Energy Technology Data Exchange (ETDEWEB)

    Burgess, Alan [Department of Applied Mathematics and Theoretical Physics, Wilberforce Road, Cambridge CB3 0WA (United Kingdom); Tully, John A [Observatoire de la Cote d' Azur, Departement Cassiopee, BP 4229, 06304 Nice Cedex 4 (France)

    2005-08-14

    The semi-classical impact parameter approximations used by Bahcall and Wolf and by Bely and Faucher, for proton excitation of electric quadrupole transitions in positive ions, both fail at high energies, giving cross sections which do not fall off correctly as constant/E. This is in contrast with the pioneering example of Seaton for Fe{sup +13} and of Reid and Schwarz for S{sup +3}, both of whom achieve the correct functional form, but do not ensure the correct constant of proportionality. By combining the Born and semi-classical approximations one can obtain cross sections which have the full correct behaviour as E {yields} {infinity}, and hence, rate coefficients which have the correct high temperature behaviour ({approx}C/T{sup 1/2} with the correct value of C). We provide a computer program for calculating these. An error in Faucher's derivation of the Born formula is also discussed.

  14. An ion species model for positive ion sources - part II analysis of hydrogen isotope effects

    CERN Document Server

    Surrey, E

    2014-01-01

    A one dimensional model of the magnetic multipole volume plasma source has been developed for application to intense ion/neutral atom beam injectors. The model uses plasma transport coefficients for particle and energy flow to create a detailed description of the plasma parameters along an axis parallel to that of the extracted beam. In this paper the isotopic modelling of positive hydrogenic ions is considered and compared with experimental data from the neutral beam injectors of the Joint European Torus. The use of the code to gain insights into the processes contributing to the ratios of the ionic species is demonstrated and the conclusion is drawn that 75% of the atomic ion species arises from ionization of dissociated molecules and 25% from dissociation of the molecular ions. However whilst the former process is independent of the filter field, the latter is sensitive to the change in distribution of fast and thermal electrons produced by the magnetic filter field and an optimum combination of field stre...

  15. Letter: High-mass capabilities of positive-ion and negative-ion direct analysis in real time mass spectrometry.

    Science.gov (United States)

    Gross, Jürgen H

    2016-01-01

    Of the ionic liquid 1-butyl-3-methylimidazolium (C(+)) tricyanomethide (A(-)) high-mass cluster ions of both positive ([C(n)A(n-1)](+)) and negative ([C(n-1)A(n)](-)) charge were generated and detected by direct analysis in real time (DART) Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry (MS). After optimization of the settings of the DART ionization source and of the mass analyzer ions of m/z values unprecedented in DART-MS were detected. Thus, the upper m/z limits of positive-ion and negative-ion DART- MS were substantially expanded. Negative-ion DART-MS delivered cluster ions up to [C(15)A(16)](-), m/z 3527 (nominal mass of monoisotopic ion), while positive-ion DART-MS even yielded ions up to [C(30)A(29)](+), m/z 6784. The identification of the cluster ions is supported by their accurate mass and exact mass differences corresponding to CA between adjacent cluster ion peaks.

  16. Magnetized retarding field energy analyzer measuring the particle flux and ion energy distribution of both positive and negative ions.

    Science.gov (United States)

    Rafalskyi, Dmytro; Dudin, Stanislav; Aanesland, Ane

    2015-05-01

    This paper presents the development of a magnetized retarding field energy analyzer (MRFEA) used for positive and negative ion analysis. The two-stage analyzer combines a magnetic electron barrier and an electrostatic ion energy barrier allowing both positive and negative ions to be analyzed without the influence of electrons (co-extracted or created downstream). An optimal design of the MRFEA for ion-ion beams has been achieved by a comparative study of three different MRFEA configurations, and from this, scaling laws of an optimal magnetic field strength and topology have been deduced. The optimal design consists of a uniform magnetic field barrier created in a rectangular channel and an electrostatic barrier consisting of a single grid and a collector placed behind the magnetic field. The magnetic barrier alone provides an electron suppression ratio inside the analyzer of up to 6000, while keeping the ion energy resolution below 5 eV. The effective ion transparency combining the magnetic and electrostatic sections of the MRFEA is measured as a function of the ion energy. It is found that the ion transparency of the magnetic barrier increases almost linearly with increasing ion energy in the low-energy range (below 200 eV) and saturates at high ion energies. The ion transparency of the electrostatic section is almost constant and close to the optical transparency of the entrance grid. We show here that the MRFEA can provide both accurate ion flux and ion energy distribution measurements in various experimental setups with ion beams or plasmas run at low pressure and with ion energies above 10 eV.

  17. Improved Positive Electrode Materials for Lithium-ion Batteries

    Science.gov (United States)

    Conry, Thomas Edward

    The introduction of the first commercially produced Li-ion battery by Sony in 1990 sparked a period of unprecedented growth in the consumer electronics industry. Now, with increasing efforts to move away from fossil-fuel-derived energy sources, a substantial amount of current research is focused on the development of an electrified transportation fleet. Unfortunately, existent battery technologies are unable to provide the necessary performance for electric vehicles (EV's) and plug-in hybrid electric vehicles (PHEV's) vehicles at a competitive cost. The cost and performance metrics of current Li-ion batteries are mainly determined by the positive electrode materials. The work here is concerned with understanding the structural and electrochemical consequences of cost-lowering mechanisms in two separate classes of Li-ion cathode materials; the LiMO2 (M = Ni, Mn, Co) layered oxides and the LiMPO4 olivine materials; with the goal of improving performance. Al-substitution for Co in LiNizMnzCo1-2zO 2 ("NMC") materials not only decreases the costly Co-content, but also improves the safety aspects and, notably, enhances the cycling stability of the layered oxide electrodes. The structural and electrochemical effects of Al-substitution are investigated here in a model NMC compound, LiNi0.45 Mn0.45Co0.1-yAlyO2. In addition to electrochemical measurements, various synchrotron-based characterization methods are utilized, including high-resolution X-ray diffraction (XRD), in situ X-ray diffraction, and X-ray absorption spectroscopy (XAS). Al-substitution causes a slight distortion of the as-synthesized hexagonal layered oxide lattice, lowering the inherent octahedral strain within the transition metal layer. The presence of Al also is observed to limit the structural variation of the NMC materials upon Li-deintercalation, as well as extended cycling of the electrodes. Various olivine materials, LiMPO4 ( M=Fe,Co) are produced using a custom-built spray pyrolysis system. Spray

  18. Demonstration of long-pulse acceleration of high power positive ion beam with JT-60 positive ion source in Japan–Korea joint experiment

    Energy Technology Data Exchange (ETDEWEB)

    Kojima, A., E-mail: kojima.atsushi@jaea.go.jp [Japan Atomic Energy Agency, Naka (Japan); Hanada, M. [Japan Atomic Energy Agency, Naka (Japan); Jeong, S.H. [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of); Bae, Y.S. [National Fusion Research Institute, Daejeon (Korea, Republic of); Chang, D.H.; Kim, T.S.; Lee, K.W.; Park, M.; Jung, B.K. [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of); Mogaki, K.; Komata, M.; Dairaku, M.; Kashiwagi, M.; Tobari, H.; Watanabe, K. [Japan Atomic Energy Agency, Naka (Japan)

    2016-01-15

    The long-pulse acceleration of the high-power positive ion beam has been demonstrated with the JT-60 positive ion source in the joint experiment among Japan Atomic Energy Agency (JAEA), Korea Atomic Energy Research Institute (KAERI) and National Fusion Research Institute (NFRI) under the collaboration program for the development of plasma heating and current drive systems. In this joint experiment, the increase of the heat load and the breakdowns induced by the degradation of the beam optics due to the gas accumulation was one of the critical issues for the long-pulse acceleration. As a result of development of the long-pulse operation techniques of the ion source and facilities of the neutral beam test stand in KAERI, 2 MW 100 s beam has been achieved for the first time. The achieved beam performance satisfies the JT-60SA requirement which is designed to be a 1.94 MW ion beam power from an ion source corresponding to total neutral beam power of 20 MW with 24 ion sources. Therefore, it was found that the JT-60 positive ion sources were applicable in the JT-60SA neutral beam injectors. Moreover, because this ion source is planned to be a backup ion source for KSTAR, the operational region and characteristic has been clarified to apply to the KSTAR neutral beam injector.

  19. The charge spectrum of positive ions in a hydrogen aurora

    Science.gov (United States)

    Lynch, J.; Pulliam, D.; Leach, R.; Scherb, F.

    1976-01-01

    An auroral ion charge spectrometer was flown into a hydrogen aurora on a Javelin sounding rocket launched from Churchill, Manitoba. The instrument contained an electrostatic analyzer which selected particles with incident energy per unit charge up to 20 keV/charge and an 80-kV power supply which accelerated these ions onto an array of solid state detectors. Ions tentatively identified as H(+), He(+2), and O(+) were detected from 225 to 820 km in altitude. The experiment did not discriminate between H(+) and He(+), or between O(+), N(+), and C(+). Upper limits of highly charged heavy ion abundances have been set at 20% of the He(+2) and 0.15% of the H(+). It is concluded that both terrestrial and solar wind sources play significant roles in auroral ion precipitation.

  20. The charge spectrum of positive ions in a hydrogen aurora

    Science.gov (United States)

    Lynch, J.; Pulliam, D.; Leach, R.; Scherb, F.

    1976-01-01

    An auroral ion charge spectrometer was flown into a hydrogen aurora on a Javelin sounding rocket launched from Churchill, Manitoba. The instrument contained an electrostatic analyzer which selected particles with incident energy per unit charge up to 20 keV/charge and an 80-kV power supply which accelerated these ions onto an array of solid state detectors. Ions tentatively identified as H(+), He(+2), and O(+) were detected from 225 to 820 km in altitude. The experiment did not discriminate between H(+) and He(+), or between O(+), N(+), and C(+). Upper limits of highly charged heavy ion abundances have been set at 20% of the He(+2) and 0.15% of the H(+). It is concluded that both terrestrial and solar wind sources play significant roles in auroral ion precipitation.

  1. Two-electron photoionization of endohedral atoms

    CERN Document Server

    Amusia, M Ya; Mandelzweig, V B

    2006-01-01

    Using $He@C_{60}$ as an example, we demonstrate that static potential of the fullerene core essentially alters the cross section of the two-electron ionization differential in one-electron energy $d\\sigma ^{++}(\\omega )/d\\epsilon $. We found that at high photon energy prominent oscillations appear in it due to reflection of the second, slow electron wave on the $% C_{60}$ shell, which "dies out" at relatively high $\\epsilon $ values, of about 2$\\div $3 two-electron ionization potentials. The results were presented for ratios $R_{C_{60}}(\\omega ,\\epsilon)\\equiv d\\sigma ^{++}(\\omega ,\\epsilon)/d\\sigma ^{a++}(\\omega,\\epsilon)$, where $d\\sigma ^{a++}(\\omega,\\epsilon)/d\\epsilon$ is the two-electron differential photoionization cross section. We have calculated the ratio $R_{i,ful}= \\sigma_{i} ^{++}(\\omega)/\\sigma_{i}^{a++}(\\omega)$, that accounts for reflection of both photoelectrons by the $C_{60}$ shell. We have calculated also the value of two-electron photoionization cross section $\\sigma ^{++}(\\omega)$ and fo...

  2. Position of Fe ions in MgO crystalline structure

    Directory of Open Access Journals (Sweden)

    Szczerba Jacek

    2015-03-01

    Full Text Available Magnesium oxide (MgO is one of the most important raw materials in many branches of industry. Magnesium oxide is a popular refractory raw material because of its high refractoriness and high resistance to basic slags and environment. In many cases, use of MgO is limited by its properties, especially the presence of secondary phases like iron oxides. The amount and distribution of iron oxides can strongly influence the technological properties of MgO and depend on the manufacturing method, particularly the heat-treatment process. The aim of the study was to evaluate the influence of the heat-treatment process on amount and distribution of iron ions in a magnesium oxide lattice. The 57Fe Mössbauer effect measurements of fused and sintered magnesium oxide samples doped by the iron oxide were conducted. Investigation reveals in both cases the presence of Fe2+ as well as Fe3+ ions. Fe2+ ions occupy Mg2+ octahedral sites in the MgO lattice, whereas the Fe3+ ions are located in highly distorted octahedral coordination. The amount of Fe2+ varies from around 66% for fused samples to 30% for sintered samples.

  3. Direction for the Future - Successive Acceleration of Positive and Negative Ions Applied to Space Propulsion

    CERN Document Server

    Aanesland, A.; Popelier, L.; Chabert, P.

    2013-12-16

    Electrical space thrusters show important advantages for applications in outer space compared to chemical thrusters, as they allow a longer mission lifetime with lower weight and propellant consumption. Mature technologies on the market today accelerate positive ions to generate thrust. The ion beam is neutralized by electrons downstream, and this need for an additional neutralization system has some drawbacks related to stability, lifetime and total weight and power consumption. Many new concepts, to get rid of the neutralizer, have been proposed, and the PEGASES ion-ion thruster is one of them. This new thruster concept aims at accelerating both positive and negative ions to generate thrust, such that additional neutralization is redundant. This chapter gives an overview of the concept of electric propulsion and the state of the development of this new ion-ion thruster.

  4. Time-dependent cylindrical and spherical ion-acoustic solitary structures in relativistic degenerate multi-ion plasmas with positively-charged heavy ions

    Energy Technology Data Exchange (ETDEWEB)

    Hossen, M. R.; Nahar, L.; Mamun, A. A. [Jahangirnagar University,Savar, Dhaka (Bangladesh)

    2014-12-15

    The properties of time-dependent cylindrical and spherical, modified ion-acoustic (mIA) solitary structures in relativistic degenerate multi-ion plasmas (containing degenerate electron fluids, inertial positively-, as well as negatively-, charged light ions, and positively-charged static heavy ions) have been investigated theoretically. This investigation is valid for both non-relativistic and ultrarelativistic limits. The well-known reductive perturbation method has been used to derive the Korteweg-de Vries (K-dV) and the mK-dV equations for studying the basic features of solitary waves. The fundamental characteristics of mIA solitary waves are found to be significantly modified by the effects of the degenerate pressures of the electron and the ion fluids, their number densities, and the various charge states of heavy ions. The relevance of our results in astrophysical compact objects like white dwarfs and neutron stars, which are of scientific interest, is briefly discussed.

  5. Double ionization of two-electron systems

    Energy Technology Data Exchange (ETDEWEB)

    Ancarani, L U; Cappello, C Dal [Laboratoire de Physique Moleculaire et des Collisions, Universite Paul Verlaine - Metz, 57078 Metz (France); Gasaneo, G, E-mail: ancarani@univ-metz.f [Departamento de Fisica, Universidad Nacional del Sur and Consejo Nacional de Investigaciones CientIficas y Tecnicas, 8000 BahIa Blanca, Buenos Aires (Argentina)

    2010-02-01

    We address various issues related to the double ionization by electron impact of two-electron systems. The emphasis will be put on the theoretical description of high incident energy (e,3e) processes, for which the first Born approximation should be suitable. In the case of helium, absolute experimental data for fivefold differential cross sections are available in coplanar geometry. We will review and discuss the divergencies existing between the results obtained with different theoretical models, and those appearing when compared to the experiments in particular with respect to the absolute scale. We will then discuss some results obtained in a recently proposed out of plane geometry.

  6. First operational experience with the positive-ion injector of ATLAS

    Energy Technology Data Exchange (ETDEWEB)

    Bollinger, L.M.; Pardo, R.C.; Shepard, K.W.; Bogaty, J.M.; Clifft, B.E.; Munson, F.H.; Zinkann, G.

    1992-01-01

    The recently completed positive-ion injector for the heavy-ion accelerator ATLAS was designed as a replacement for the tandem injector of the present tandem-linac system and, unlike the tandem, the positive-ion injector is required to provide ions from the full range of the periodic table. The concept for the new injector, which consists of an ECR ion source on a voltage platform coupled to a very-low-velocity superconducting linac, introduces technical problems and uncertainties that are well beyond those encountered previously for superconducting linacs. The solution to these problems and their relationship to performance are outlined, and initial experience in the acceleration of heavy-ion beams through the entire ATLAS system is discussed. The unusually good longitudinal beam quality of ATLAS with its new injector is emphasized.

  7. First operational experience with the positive-ion injector of ATLAS

    Energy Technology Data Exchange (ETDEWEB)

    Bollinger, L.M.; Pardo, R.C.; Shepard, K.W.; Bogaty, J.M.; Clifft, B.E.; Munson, F.H.; Zinkann, G.

    1992-08-01

    The recently completed positive-ion injector for the heavy-ion accelerator ATLAS was designed as a replacement for the tandem injector of the present tandem-linac system and, unlike the tandem, the positive-ion injector is required to provide ions from the full range of the periodic table. The concept for the new injector, which consists of an ECR ion source on a voltage platform coupled to a very-low-velocity superconducting linac, introduces technical problems and uncertainties that are well beyond those encountered previously for superconducting linacs. The solution to these problems and their relationship to performance are outlined, and initial experience in the acceleration of heavy-ion beams through the entire ATLAS system is discussed. The unusually good longitudinal beam quality of ATLAS with its new injector is emphasized.

  8. Prototyping of beam position monitor for medium energy beam transport section of RAON heavy ion accelerator

    Science.gov (United States)

    Jang, Hyojae; Jin, Hyunchang; Jang, Ji-Ho; Hong, In-Seok

    2016-02-01

    A heavy ion accelerator, RAON is going to be built by Rare Isotope Science Project in Korea. Its target is to accelerate various stable ions such as uranium, proton, and xenon from electron cyclotron resonance ion source and some rare isotopes from isotope separation on-line. The beam shaping, charge selection, and modulation should be applied to the ions from these ion sources because RAON adopts a superconducting linear accelerator structure for beam acceleration. For such treatment, low energy beam transport, radio frequency quadrupole, and medium energy beam transport (MEBT) will be installed in injector part of RAON accelerator. Recently, development of a prototype of stripline beam position monitor (BPM) to measure the position of ion beams in MEBT section is under way. In this presentation, design of stripline, electromagnetic (EM) simulation results, and RF measurement test results obtained from the prototyped BPM will be described.

  9. Prototyping of beam position monitor for medium energy beam transport section of RAON heavy ion accelerator

    Energy Technology Data Exchange (ETDEWEB)

    Jang, Hyojae, E-mail: lkcom@ibs.re.kr; Jin, Hyunchang; Jang, Ji-Ho; Hong, In-Seok [Rare Isotope Science Project, Institute for Basic Science, Daejeon (Korea, Republic of)

    2016-02-15

    A heavy ion accelerator, RAON is going to be built by Rare Isotope Science Project in Korea. Its target is to accelerate various stable ions such as uranium, proton, and xenon from electron cyclotron resonance ion source and some rare isotopes from isotope separation on-line. The beam shaping, charge selection, and modulation should be applied to the ions from these ion sources because RAON adopts a superconducting linear accelerator structure for beam acceleration. For such treatment, low energy beam transport, radio frequency quadrupole, and medium energy beam transport (MEBT) will be installed in injector part of RAON accelerator. Recently, development of a prototype of stripline beam position monitor (BPM) to measure the position of ion beams in MEBT section is under way. In this presentation, design of stripline, electromagnetic (EM) simulation results, and RF measurement test results obtained from the prototyped BPM will be described.

  10. Control of secondary electrons from ion beam impact using a positive potential electrode

    Science.gov (United States)

    Crowley, T. P.; Demers, D. R.; Fimognari, P. J.

    2016-11-01

    Secondary electrons emitted when an ion beam impacts a detector can amplify the ion beam signal, but also introduce errors if electrons from one detector propagate to another. A potassium ion beam and a detector comprised of ten impact wires, four split-plates, and a pair of biased electrodes were used to demonstrate that a low-voltage, positive electrode can be used to maintain the beneficial amplification effect while greatly reducing the error introduced from the electrons traveling between detector elements.

  11. Status report on the positive ion injector (PII) for ATLAS at Argonne National Laboratory

    Energy Technology Data Exchange (ETDEWEB)

    Zinkann, G.P.; Added, N.; Billquist, P.; Bogaty, J.; Clifft, B.; Markovich, P.; Phillips, D.; Strickhorn, P.; Shepard, K.W.

    1991-01-01

    The Positive Ion Injector (PII) is part of the Uranuim upgrade for ATLAS accelerator at Argonne National Laboratory. This paper will include a technical discussion of the Positive Ion Injector (PII) accelerator with its superconducting, niobium, very low-velocity accelerating structures. It will also discuss the current construction schedule of PII, and review an upgrade of the fast- tuning system. 10 refs., 6 figs.

  12. Studies on the positive hydrogen ion production from a small multicusp source

    Energy Technology Data Exchange (ETDEWEB)

    Olivo, M.; Mariani, E. (Paul Scherrer Institute (PSI), CH-5232 Villigen PSI (Switzerland)); Leung, K.N. (Lawrence Berkeley Laboratory (LBL), University of California, Berkeley, California 94720 (United States))

    1994-04-01

    An rf driven ion source has been developed and tested at LBL for positive hydrogen ion production. Studies of this new source on ion species and current densities for a dc arc discharge are made in the 60-kV PSI ion source test stand and the results compared with those obtained using the rf discharge. This source, using both discharge modes, will be installed in the PSI Cockcroft--Walton preinjector to increase the 870-keV dc proton beam intensity from the present 8--10 mA operation to about 25 mA.

  13. Electron attachment and positive ion chemistry of monohydrogenated fluorocarbon radicals

    Energy Technology Data Exchange (ETDEWEB)

    Wiens, Justin P.; Shuman, Nicholas S.; Miller, Thomas M.; Viggiano, Albert A., E-mail: afrl.rvborgmailbox@kirtland.af.mil [Air Force Research Laboratory, Space Vehicles Directorate, Kirtland AFB, New Mexico 87117 (United States)

    2015-08-21

    Rate coefficients and product branching fractions for electron attachment and for reaction with Ar{sup +} are measured over the temperature range 300–585 K for three monohydrogenated fluorocarbon (HFC) radicals (CF{sub 3}CHF, CHF{sub 2}CF{sub 2}, and CF{sub 3}CHFCF{sub 2}), as well as their five closed-shell precursors (1-HC{sub 2}F{sub 4}I, 2-HC{sub 2}F{sub 4}I, 2-HC{sub 2}F{sub 4}Br, 1-HC{sub 3}F{sub 6}I, 2-HC{sub 3}F{sub 6}Br). Attachment to the HFC radicals is always fairly inefficient (between 0.1% and 10% of the Vogt–Wannier capture rate), but generally faster than attachment to analogous perfluorinated carbon radicals. The primary products in all cases are HF-loss to yield C{sub n}F{sub m−1}{sup −} anions, with only a minor branching to F{sup −} product. In all cases the temperature dependences are weak. Attachment to the precursor halocarbons is near the capture rate with a slight negative temperature dependence in all cases except for 2-HC{sub 2}F{sub 4}Br, which is ∼10% efficient at 300 K and becomes more efficient, approaching the capture rate at higher temperatures. All attachment kinetics are successfully reproduced using a kinetic modeling approach. Reaction of the HFC radicals with Ar{sup +} proceeds at or near the calculated collisional rate coefficient in all cases, yielding a wide variety of product ions.

  14. Frustrated double ionization in two-electron triatomic molecules

    Science.gov (United States)

    Chen, A.; Price, H.; Staudte, A.; Emmanouilidou, A.

    2016-10-01

    Using a semiclassical model, we investigate frustrated double ionization (FDI) in D3+ , a two-electron triatomic molecule, when driven by an intense, linearly polarized, near-infrared (800 nm) laser field. We compute the kinetic energy release of the nuclei and find a good agreement between experiment and our model. We explore the two pathways of FDI and show that, with increasing field strength, over-the-barrier ionization overtakes tunnel ionization as the underlying mechanism of FDI. Moreover, we compute the angular distribution of the ion fragments for FDI and identify a feature that can potentially be observed experimentally and is a signature of only one of the two pathways of FDI.

  15. Frustrated double ionization in two-electron triatomic molecules

    CERN Document Server

    Chen, A; Staudte, A; Emmanouilidou, A

    2016-01-01

    Using a semi-classical model, we investigate frustrated double ionization (FDI) in $\\mathrm{D_3^+}$, a two-electron triatomic molecule, when driven by an intense, linearly polarized, near-infrared (800 nm) laser field. We do so using a semi-classical model. We find a good agreement between experiment and our model. We explore the two pathways of FDI and show that, with increasing field strength, over-the-barrier ionization overtakes tunnel ionization as the underlying mechanism of FDI. Moreover, we compute the angular distribution of the ion fragments for FDI and identify a feature that can be observed experimentally and that is a signature of only one of the two pathways of FDI.

  16. Deterministic delivery of externally cold and precisely positioned single molecular ions

    CERN Document Server

    Leschhorn, G; Schaetz, T

    2011-01-01

    We present the preparation and deterministic delivery of a selectable number of externally cold molecular ions. A laser cooled ensemble of Mg^+ ions subsequently confined in several linear Paul traps inter-connected via a quadrupole guide serves as a cold bath for a single or up to a few hundred molecular ions. Sympathetic cooling embeds the molecular ions in the crystalline structure. MgH^+ ions, that serve as a model system for a large variety of other possible molecular ions, are cooled down close to the Doppler limit and are positioned with an accuracy of one micrometer. After the production process, severely compromising the vacuum conditions, the molecular ion is efficiently transfered into nearly background-free environment. The transfer of a molecular ion between different traps as well as the control of the molecular ions in the traps is demonstrated. Schemes, optimized for the transfer of a specific number of ions, are realized and their efficiencies are evaluated. This versatile source applicable f...

  17. Sheath structure in plasma with two species of positive ions and secondary electrons

    Science.gov (United States)

    Xiao-Yun, Zhao; Nong, Xiang; Jing, Ou; De-Hui, Li; Bin-Bin, Lin

    2016-02-01

    The properties of a collisionless plasma sheath are investigated by using a fluid model in which two species of positive ions and secondary electrons are taken into account. It is shown that the positive ion speeds at the sheath edge increase with secondary electron emission (SEE) coefficient, and the sheath structure is affected by the interplay between the two species of positive ions and secondary electrons. The critical SEE coefficients and the sheath widths depend strongly on the positive ion charge number, mass and concentration in the cases with and without SEE. In addition, ion kinetic energy flux to the wall and the impact of positive ion species on secondary electron density at the sheath edge are also discussed. Project supported by the National Natural Science Foundation of China (Grant Nos. 11475220 and 11405208), the Program of Fusion Reactor Physics and Digital Tokamak with the CAS “One-Three-Five” Strategic Planning, the National ITER Program of China (Grant No. 2015GB101003), and the Higher Education Natural Science Research Project of Anhui Province, China (Grant No. 2015KJ009).

  18. Variation and balance of positive air ion concentrations in a boreal forest

    Directory of Open Access Journals (Sweden)

    U. Hõrrak

    2008-02-01

    Full Text Available Air ions are characterized on the basis of measurements carried out in a boreal forest at the Hyytiälä SMEAR station, Finland, during the BIOFOR III campaign in spring 1999. The air ions were discriminated as small ions (charged molecular aggregates of the diameter of less than 2.5 nm, intermediate ions (charged aerosol particles of the diameter of 2.5–8 nm, and large ions (charged aerosol particles of the diameter of 8–20 nm. Statistical characteristics of the ion concentrations and the parameters of ion balance in the atmosphere are presented separately for the nucleation event days and non-event days. In the steady state, the ionization rate is balanced with the loss of small ions, which is expressed as the product of the small ion concentration and the ion sink rate. The widely known sinks of small ions are the recombination with small ions of opposite polarity and attachment to aerosol particles. The dependence of small ion concentration on the concentration of aerosol particles was investigated applying a model of the bipolar diffusion charging of particles by small ions. When the periods of relative humidity above 95% and wind speed less than 0.6 m s−1 were excluded, then the small ion concentration and the theoretically calculated small ion sink rate were closely negatively correlated (correlation coefficient −87%. However, an extra ion loss term of the same magnitude as the ion loss onto aerosol particles is needed for a quantitative explanation of the observations. This term is presumably due to the small ion deposition on coniferous forest. The hygroscopic growth correction of the measured aerosol particle size distributions was also found to be necessary for the proper estimation of the ion sink rate. In the case of nucleation burst events, the concentration of small positive ions followed the general balance equation, no extra ion loss in addition to the deposition on coniferous forest was detected, and the

  19. Positive ion chemistry in the exhaust plumes of an air craft jet engine and a burner: investigations with a quadrupole ion trap mass spectrometer

    Energy Technology Data Exchange (ETDEWEB)

    Kiendler, A.; Aberle, S.; Arnold, F. [Max Planck Institute for Nuclear Physics, Heidelberg (Germany). Atmospheric Physics Div.

    2000-07-01

    Using a quadrupole ion trap mass spectrometer detailed composition analyses were made of positive ions in the exhaust of an aircraft jet engine and of a jet fuel burner. For both scenarios complex organic ions with large mass numbers were most abundant. By employing the MS{sup 2}-mode of the quadrupole ion trap mass spectrometer, mass selected trapped ions were intendently broken up and characteristic fragment ions were observed. The latter indicate that the parent ions contain hydrogen, carbon and oxygen which is indicative of oxygenated hydrocarbons. This contrasts recent composition measurements of negative ions in aircraft jet engine exhaust made by our group which revealed that negative ions contain the inorganic acid H{sub 2}SO{sub 4}. Our present measurements support the view that positive ions in aircraft jet engine exhaust contain preferably organic molecules. (author)

  20. Two-electron reduction of ethylene carbonate: a quantum chemistry re-examination of mechanisms

    CERN Document Server

    Leung, Kevin

    2013-01-01

    Passivating solid-electrolyte interphase (SEI) films arising from electrolyte decomposition on low-voltage lithium ion battery anode surfaces are critical for battery operations. We review the recent theoretical literature on electrolyte decomposition and emphasize the modeling work on two-electron reduction of ethylene carbonate (EC, a key battery organic solvent). One of the two-electron pathways, which releases CO gas, is re-examined using simple quantum chemistry calculations. Excess electrons are shown to preferentially attack EC in the order (broken EC^-) > (intact EC^-) > EC. This confirms the viability of two electron processes and emphasizes that they need to be considered when interpreting SEI experiments. An estimate of the crossover between one- and two-electron regimes under a homogeneous reaction zone approximation is proposed.

  1. An ion species model for positive ion sources - part I description of the model

    CERN Document Server

    Surrey, E

    2014-01-01

    A one dimensional model of the magnetic multipole volume plasma source has been developed for use in intense ion/neutral atom beam injectors. The model uses plasma transport coefficients for particle and energy flow to create a detailed description of the plasma parameters along an axis parallel to that of the extracted beam. Primarily constructed for applications to neutral beam injection systems on fusion devices, the model concentrates on the hydrogenic isotopes but can be extended to any gas by substitution of the relevant masses, cross sections and rate coefficients. The model considers the flow of fast ionizing electrons that create the ratios of the three hydrogenic isotope ion species, H+, H2 +, H3 + (and similarly for deuterium and tritium) as they flow towards the beam extraction electrode, together with the production of negative hydrogenic ions through volume processes. The use of detailed energy balance in the discharge allows the determination of the fraction of the gas density that is in an ato...

  2. Bond energies and structures of ammonia-sulfuric acid positive cluster ions.

    Science.gov (United States)

    Froyd, Karl D; Lovejoy, Edward R

    2012-06-21

    New particle formation in the atmosphere is initiated by nucleation of gas-phase species. The small molecular clusters that act as seeds for new particles are stabilized by the incorporation of an ion. Ion-induced nucleation of molecular cluster ions containing sulfuric acid generates new particles in the background troposphere. The addition of a proton-accepting species to sulfuric acid cluster ions can further stabilize them and may promote nucleation under a wider range of conditions. To understand and accurately predict atmospheric nucleation, the stabilities of each molecular cluster within a chemical family must be known. We present the first comprehensive measurements of the ammonia-sulfuric acid positive ion cluster system NH(4)(+)(NH(3))(n)(H(2)SO(4))(s). Enthalpies and entropies of individual growth steps within this system were measured using either an ion flow reactor-mass spectrometer system under equilibrium conditions or by thermal decomposition of clusters in an ion trap mass spectrometer. Low level ab initio structural calculations provided inputs to a master equation model to determine bond energies from thermal decomposition measurements. Optimized ab initio structures for clusters up through n = 3, s = 3 are reported. Upon addition of ammonia and sulfuric acid pairs, internal proton transfer generates multiple NH(4)(+) and HSO(4)(-) ions within the clusters. These multiple-ion structures are up to 50 kcal mol(-1) more stable than corresponding isomers that retain neutral NH(3) and H(2)SO(4) species. The lowest energy n = s clusters are composed entirely of ions. The addition of acid-base pairs to the core NH(4)(+) ion generates nanocrystals that begin to resemble the ammonium bisulfate bulk crystal starting with the smallest n = s cluster, NH(4)(+)(NH(3))(1)(H(2)SO(4))(1). In the absence of water, this cluster ion system nucleates spontaneously for conditions that encompass most of the free troposphere.

  3. A large area position-sensitive ionization chamber for heavy-ion-induced reaction studies

    Energy Technology Data Exchange (ETDEWEB)

    Pant, L.M. E-mail: lalit.pant@exp2.physik.uni-giessen.de; Biswas, D.C.; Dinesh, B.V.; Thomas, R.G.; Saxena, A.; Sawant, Y.S.; Choudhury, R.K

    2002-12-11

    A large area position-sensitive ionization chamber with a wide dynamic range has been developed to measure the mass, charge and energy of the heavy ions and the fission fragments produced in heavy-ion-induced reactions. The split anode geometry of the detector makes it suitable for both particle identification and energy measurements for heavy ions and fission fragments. The detector has been tested with {alpha} particles from {sup 241}Am-{sup 239}Pu source, fission fragments from {sup 252}Cf and the heavy-ion beams from the 14UD Mumbai Pelletron accelerator facility. Using this detector, measurements on mass and total kinetic energy distributions in heavy-ion-induced fusion-fission reactions have been carried out for a wide range of excitation energies. Results on deep inelastic collisions and mass-energy correlations on different systems using this detector setup are discussed.

  4. A large area position-sensitive ionization chamber for heavy-ion-induced reaction studies

    CERN Document Server

    Pant, L M; Dinesh, B V; Thomas, R G; Saxena, A; Sawant, Y S; Choudhury, R K

    2002-01-01

    A large area position-sensitive ionization chamber with a wide dynamic range has been developed to measure the mass, charge and energy of the heavy ions and the fission fragments produced in heavy-ion-induced reactions. The split anode geometry of the detector makes it suitable for both particle identification and energy measurements for heavy ions and fission fragments. The detector has been tested with alpha particles from sup 2 sup 4 sup 1 Am- sup 2 sup 3 sup 9 Pu source, fission fragments from sup 2 sup 5 sup 2 Cf and the heavy-ion beams from the 14UD Mumbai Pelletron accelerator facility. Using this detector, measurements on mass and total kinetic energy distributions in heavy-ion-induced fusion-fission reactions have been carried out for a wide range of excitation energies. Results on deep inelastic collisions and mass-energy correlations on different systems using this detector setup are discussed.

  5. Angle-resolved ion TOF spectrometer with a position sensitive detector

    Energy Technology Data Exchange (ETDEWEB)

    Saito, Norio [Electrotechnical Lab., Tsukuba, Ibaraki (Japan); Heiser, F.; Wieliczec, K.; Becker, U.

    1996-07-01

    A angle-resolved ion time-of-flight mass spectrometer with a position sensitive anode has been investigated. Performance of this spectrometer has been demonstrated by measuring an angular distribution of a fragment ion pair, C{sup +} + O{sup +}, from CO at the photon energy of 287.4 eV. The obtained angular distribution is very close to the theoretically expected one. (author)

  6. Measurements of Positively Charged Ions in Premixed Methane-Oxygen Atmospheric Flames

    KAUST Repository

    Alquaity, Awad B. S.

    2016-08-22

    Cations and anions are formed as a result of chemi-ionization processes in combustion systems. Electric fields can be applied to reduce emissions and improve combustion efficiency by active control of the combustion process. Detailed flame ion chemistry models are needed to understand and predict the effect of external electric fields on combustion plasmas. In this work, a molecular beam mass spectrometer (MBMS) is utilized to measure ion concentration profiles in premixed methane–oxygen argon burner-stabilized atmospheric flames. Lean and stoichiometric flames are considered to assess the dependence of ion chemistry on flame stoichiometry. Relative ion concentration profiles are compared with numerical simulations using various temperature profiles, and good qualitative agreement was observed for the stoichiometric flame. However, for the lean flame, numerical simulations misrepresent the spatial distribution of selected ions greatly. Three modifications are suggested to enhance the ion mechanism and improve the agreement between experiments and simulations. The first two modifications comprise the addition of anion detachment reactions to increase anion recombination at low temperatures. The third modification involves restoring a detachment reaction to its original irreversible form. To our knowledge, this work presents the first detailed measurements of cations and flame temperature in canonical methane–oxygen-argon atmospheric flat flames. The positive ion profiles reported here may be useful to validate and improve ion chemistry models for methane-oxygen flames.

  7. Supplementary Material for: Measurements of Positively Charged Ions in Premixed Methane-Oxygen Atmospheric Flames

    KAUST Repository

    Alquaity, Awad B. S.

    2017-01-01

    Cations and anions are formed as a result of chemi-ionization processes in combustion systems. Electric fields can be applied to reduce emissions and improve combustion efficiency by active control of the combustion process. Detailed flame ion chemistry models are needed to understand and predict the effect of external electric fields on combustion plasmas. In this work, a molecular beam mass spectrometer (MBMS) is utilized to measure ion concentration profiles in premixed methane–oxygen argon burner-stabilized atmospheric flames. Lean and stoichiometric flames are considered to assess the dependence of ion chemistry on flame stoichiometry. Relative ion concentration profiles are compared with numerical simulations using various temperature profiles, and good qualitative agreement was observed for the stoichiometric flame. However, for the lean flame, numerical simulations misrepresent the spatial distribution of selected ions greatly. Three modifications are suggested to enhance the ion mechanism and improve the agreement between experiments and simulations. The first two modifications comprise the addition of anion detachment reactions to increase anion recombination at low temperatures. The third modification involves restoring a detachment reaction to its original irreversible form. To our knowledge, this work presents the first detailed measurements of cations and flame temperature in canonical methane–oxygen-argon atmospheric flat flames. The positive ion profiles reported here may be useful to validate and improve ion chemistry models for methane-oxygen flames.

  8. Position-dependent dynamics of a trapped ion in a standing wave laser

    Institute of Scientific and Technical Information of China (English)

    方卯发

    2002-01-01

    We have investigated the position-dependent dynamics of a trapped ion in a standing wave laser by transforming it to the Jaynes-Cummings-type system under the Lamb-Dicke limit. A variety of novel phenomena are exhibited,e.g. periodic collapse and revival features and long-time scaled revivals of the ionic inversion, depending on its position in the standing wave. Our result provides a way of producing a system equivalent to the two-photon Jaynes-Cummings model in the trapped ion system, with its exact periodicities.

  9. Generalization of the Child-Langmuir law to the alternate extraction of positive and negative ions

    Energy Technology Data Exchange (ETDEWEB)

    Lafleur, T., E-mail: trevor.lafleur@lpp.polytechnique.fr [Laboratoire de Physique des Plasmas, CNRS, Sorbonne Universités, UPMC Univ Paris 06, Univ Paris-Sud, Ecole Polytechnique, 91128 Palaiseau (France); ONERA-The French Aerospace Lab, 91120 Palaiseau (France); Aanesland, A. [Laboratoire de Physique des Plasmas, CNRS, Sorbonne Universités, UPMC Univ Paris 06, Univ Paris-Sud, Ecole Polytechnique, 91128 Palaiseau (France)

    2014-12-15

    Using a combined analytical and simulation approach, we investigate positive and negative ion extraction between two electrodes from an ion-ion plasma source. With a square voltage waveform applied to the electrodes, we obtain approximate analytical solutions for the time-averaged extracted current densities, which are given simply by: J{sub p}{sup ac}=[α−fL√((M{sub p})/(q{sub p}V{sub 0}) )]J{sub p}{sup dc}, and J{sub n}{sup ac}=[(1−α)−fL√((M{sub n})/(q{sub n}V{sub 0}) )]J{sub n}{sup dc}, where J{sup ac} is the time-averaged current density, α is the square waveform duty cycle, f is the frequency, L is the electrode gap length, M is the ion mass, q is the ion charge, V{sub 0} is the applied voltage amplitude, J{sup dc} is the dc extracted current density, and the subscripts p and n refer to positive and negative ions, respectively. In particular, if J{sup dc} is the dc space-charge limited current density, then these equations describe the square waveform generalization of the Child-Langmuir law.

  10. Spherical ion oscillations in a positive polarity gridded inertial-electrostatic confinement device

    Science.gov (United States)

    Bandara, R.; Khachan, J.

    2013-07-01

    A pulsed, positive polarity gridded inertial electrostatic confinement device has been investigated experimentally, using a differential emissive probe and potential traces as primary diagnostics. Large amplitude oscillations in the plasma current and plasma potential were observed within a microsecond of the discharge onset, which are indicative of coherent ion oscillations about a temporarily confined excess of recirculating electron space charge. The magnitude of the depth of the potential well in the established virtual cathode was determined using a differential emissive Langmuir probe, which correlated well to the potential well inferred from the ion oscillation frequency for both hydrogen and argon experiments. It was found that the timescale for ion oscillation dispersion is strongly dependent on the neutral gas density, and weakly dependent on the peak anode voltage. The cessation of the oscillations was found to be due to charge exchange processes converting ions to high velocity neutrals, causing the abrupt de-coherence of the oscillations through an avalanche dispersion in phase space.

  11. Spherical ion oscillations in a positive polarity gridded inertial-electrostatic confinement device

    Energy Technology Data Exchange (ETDEWEB)

    Bandara, R.; Khachan, J. [Plasma Physics, School of Physics, University of Sydney, Camperdown, New South Wales 2006 (Australia)

    2013-07-15

    A pulsed, positive polarity gridded inertial electrostatic confinement device has been investigated experimentally, using a differential emissive probe and potential traces as primary diagnostics. Large amplitude oscillations in the plasma current and plasma potential were observed within a microsecond of the discharge onset, which are indicative of coherent ion oscillations about a temporarily confined excess of recirculating electron space charge. The magnitude of the depth of the potential well in the established virtual cathode was determined using a differential emissive Langmuir probe, which correlated well to the potential well inferred from the ion oscillation frequency for both hydrogen and argon experiments. It was found that the timescale for ion oscillation dispersion is strongly dependent on the neutral gas density, and weakly dependent on the peak anode voltage. The cessation of the oscillations was found to be due to charge exchange processes converting ions to high velocity neutrals, causing the abrupt de-coherence of the oscillations through an avalanche dispersion in phase space.

  12. Positive ions of the first- and second-row transition metal hydrides

    Science.gov (United States)

    Pettersson, Lars G. M.; Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.; Partridge, Harry

    1987-01-01

    Theoretical dissociation energies for the first- and second-row transition metal hydride positive ions are critically compared against recent experimental values obtained from ion beam reactive scattering methods. Theoretical spectroscopic parameters and dipole moments are presented for the ground and several low-lying excited states. The calculations employ large Gaussian basis sets and account for electron correlation using the single-reference single- and double-excitation configuration interaction and coupled-pair-functional methods. The Darwin and mass-velocity contributions to the relativistic energy are included in the all-electron calculations on the first-row systems using first-order perturbation theory, and in the second-row systems using the Hay and Wadt relativistic effective core potentials. The theoretical D(0) values for the second-row transition metal hydride positive ions should provide a critical measure of the experimental values, which are not as refined as many of those in the first transition row.

  13. Giant Positive Magnetoresistance in Magnetic Multilayer Film Prepared by Ion-Beam Sputtering

    Institute of Scientific and Technical Information of China (English)

    张栋杰; 都有为

    2003-01-01

    The magnetic multilayers Ni78Co22∥Cu∥Ni78Co22/Ni78Co22O∥Ta were fabricated by ion-beam sputtering through applied magnetic field and treatment under high vacuum. Resistance against applied magnetic field was measured by the standard four-point probe method at room temperature. The giant positive magnetoresistance has been observed. A maximum positive magnetoresistance at room temperature was obtained to be 280%.

  14. Controlling autoionization in strontium two-electron-excited states

    Science.gov (United States)

    Fields, Robert; Zhang, Xinyue; Dunning, F. Barry; Yoshida, Shuhei; Burgdörfer, Joachim

    2016-05-01

    One challenge in engineering long-lived two-electron-excited states, i.e., so-called planetary atoms, is autoionization. Autoionization, however, can be suppressed if the outermost electron is placed in a high- n, n ~ 300 - 600 , high- L state because such states have only a very small overlap with the inner electron, even when this is also excited to a state of relatively high n and hence of relatively long lifetime. Here the L-dependence of the autoionization rate for high- n strontium Rydberg atoms is examined during excitation of the core ion 5 s 2S1 / 2 - 5 p 2P3 / 2 transition. Measurements in which the angular momentum of the Rydberg electron is controlled using a pulsed electric field show that the autoionization rate decreases rapidly with increasing L and becomes very small for values larger than ~ 20 . The data are analyzed with the aid of calculations undertaken using complex scaling. Research supported by the NSF and Robert A. Welch Foundation.

  15. Lithium-free transition metal monoxides for positive electrodes in lithium-ion batteries

    Science.gov (United States)

    Jung, Sung-Kyun; Kim, Hyunchul; Cho, Min Gee; Cho, Sung-Pyo; Lee, Byungju; Kim, Hyungsub; Park, Young-Uk; Hong, Jihyun; Park, Kyu-Young; Yoon, Gabin; Seong, Won Mo; Cho, Yongbeom; Oh, Myoung Hwan; Kim, Haegyeom; Gwon, Hyeokjo; Hwang, Insang; Hyeon, Taeghwan; Yoon, Won-Sub; Kang, Kisuk

    2017-01-01

    Lithium-ion batteries based on intercalation compounds have dominated the advanced portable energy storage market. The positive electrode materials in these batteries belong to a material group of lithium-conducting crystals that contain redox-active transition metal and lithium. Materials without lithium-conducting paths or lithium-free compounds could be rarely used as positive electrodes due to the incapability of reversible lithium intercalation or the necessity of using metallic lithium as negative electrodes. These constraints have significantly limited the choice of materials and retarded the development of new positive electrodes in lithium-ion batteries. Here, we demonstrate that lithium-free transition metal monoxides that do not contain lithium-conducting paths in their crystal structure can be converted into high-capacity positive electrodes in the electrochemical cell by initially decorating the monoxide surface with nanosized lithium fluoride. This unusual electrochemical behaviour is attributed to a surface conversion reaction mechanism in contrast with the classic lithium intercalation reaction. Our findings will offer a potential new path in the design of positive electrode materials in lithium-ion batteries.

  16. Enhancing glycan isomer separations with metal ions and positive and negative polarity ion mobility spectrometry-mass spectrometry analyses

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Xueyun; Zhang, Xing; Schocker, Nathaniel S.; Renslow, Ryan S.; Orton, Daniel J.; Khamsi, Jamal; Ashmus, Roger A.; Almeida, Igor C.; Tang, Keqi; Costello, Catherine E.; Smith, Richard D.; Michael, Katja; Baker, Erin S.

    2016-09-07

    Glycomics has become an increasingly important field of research since glycans play critical roles in biology processes ranging from molecular recognition and signaling to cellular communication. Glycans often conjugate with other biomolecules such as proteins and lipids, and alter their properties and functions, so understanding the effect glycans have on cellular systems is essential. However the analysis of glycans is extremely difficult due to their complexity and structural diversity (i.e., the number and identity of monomer units, and configuration of their glycosidic linkages and connectivities). In this work, we coupled ion mobility spectrometry with mass spectrometry (IMS-MS) to characterize glycan standards and biologically important isomers of synthetic αGal-containing O-glycans including glycotopes of the protozoan parasite Trypanosoma cruzi, which is the causative agent of Chagas disease. IMS-MS results showed significant differences for the glycan structural isomers when analyzed in positive and negative polarity and complexed with different metal cations. These results suggest specific metal ions or ion polarities could be used to target and baseline separate glycan isomers of interest with IMS-MS.

  17. Some remarks on the two-electron atom

    CERN Document Server

    Apostol, M

    1996-01-01

    New, approximate, two-electron wavefunctions are introduced for the two-electron atoms (cations), which account remarkably well for the ground-state energies and the lowest-excxited states (where available). A new scheme of electronic configurations is also proposed for the multi-electron atoms.

  18. Comparison of the mobilities of negative and positive ions in nonpolar solutions.

    Science.gov (United States)

    Ivanishko, Irina S; Borovkov, Vsevolod I

    2010-08-01

    The mobilities of organic radical ions of different molecular volumes have been determined in squalane and hexane solutions to study the influence of the ion charge sign on the ionic mobility in a weakly polar liquid. The relative mobility of geminate radical ions was measured using the method of time-resolved electric field effect in the recombination fluorescence. To determine the mobility of cations and anions separately, a trend in the value of the relative mobility was analyzed by varying the mobility of one of the geminate partners. The ratios between the mobilities of the anion and the cation of the same molecules were found to be about 1.1. It was shown that in liquid alkanes, the solvent electrostriction was the main factor determining a decrease in the mobility of an ion as compared to the parent neutral molecule. The strong dependence of the electrostrictive effect on the radius of the ionic solvation shell allows the observed difference between negative and positive charge carriers by a small but systematic difference in the effective radii of the ions to be explained.

  19. Development of real-time position detection system for single-ion hit

    Energy Technology Data Exchange (ETDEWEB)

    Yokoyama, A., E-mail: yokoyama.akihito@jaea.go.jp [Takasaki Advanced Radiation Research Institute, Japan Atomic Energy Agency (JAEA), 1233 Watanuki-machi, Takasaki, Gunma 370-1292 (Japan); Kada, W. [Faculty of Science and Technology, Gunma University, 1-5-1 Tenjin-machi, Kiryu, Gunma 376-8515 (Japan); Satoh, T.; Koka, M.; Yamamoto, S.; Kamiya, T.; Yokota, W. [Takasaki Advanced Radiation Research Institute, Japan Atomic Energy Agency (JAEA), 1233 Watanuki-machi, Takasaki, Gunma 370-1292 (Japan)

    2014-08-01

    A real-time position detection system has been developed for a single-ion hit. The system is composed of a position sensitive camera unit and a luminescent scintillator. The camera unit includes 512 × 512 pixel electron-multiplier charge-coupled device, an image intensifier tube, and an object lens with a working distance of 101 mm. To obtain a highly sensitive luminescent scintillator for the detection of a single ion in the mega-electron-volt region, we investigate the photoluminescence properties of α-Al{sub 2}O{sub 3} single-crystals implanted with Eu(Al{sub 2}O{sub 3}:Eu) at a fluence ranging from 10{sup 14} to 10{sup 16} cm{sup −2}. The Al{sub 2}O{sub 3}:Eu samples were annealed at temperature from 500°C to 900°C. The results of 15-MeV O single-ion hit experiments using Al{sub 2}O{sub 3}:Eu with a fluence of 3.0 × 10{sup 16} cm{sup −2} annealed for 0.5 h at 600°C indicate that our system is sufficiently sensitive to detect the single-ion hit with a spatial resolution of 1 μm in real time.

  20. Position and size of the electron beam in the high-energy electron beam ion trap

    CERN Document Server

    Utter, S B; López-Urrutia, J R C; Widmann, K

    1999-01-01

    In the last decade, many spectroscopic studies have been performed using the electron beam ion trap. Often these measurements rely on the electron beam as an effective slit, yet until now, no systematic study of the position and size of the electron beam under various operating conditions has been made. Here, we present a thorough study of the electron beam's position and size (and thus the electron density) as affected by various operating parameters, and give optimal parameter ranges for operating the device as a spectroscopic source. It is shown that the diameter is constant as the energy is varied, which is important for accurate cross-section measurements.

  1. Core-level positive-ion and negative-ion fragmentation of gaseous and condensed HCCl3 using synchrotron radiation

    Science.gov (United States)

    Lu, K. T.; Chen, J. M.; Lee, J. M.; Haw, S. C.; Liang, Y. C.; Deng, M. J.

    2011-07-01

    We investigated the dissociation dynamics of positive-ion and negative-ion fragments of gaseous and condensed HCCl3 following photoexcitation of Cl 2p electrons to various resonances. Based on ab initio calculations at levels HF/cc-pVTZ and QCISD/6-311G*, the first doublet structures in Cl L-edge x-ray absorption spectrum of HCCl3 are assigned to transitions from the Cl (2P3/2,1/2) initial states to the 10a1* orbitals. The Cl 2p → 10a1* excitation of HCCl3 induces a significant enhancement of the Cl+ desorption yield in the condensed phase and a small increase in the HCCl+ yield in the gaseous phase. Based on the resonant photoemission of condensed HCCl3, excitations of Cl 2p electrons to valence orbitals decay predominantly via spectator Auger transitions. The kinetic energy distributions of Cl+ ion via the Cl 2p → 10a1* excitation are shifted to higher energy ˜0.2 eV and ˜0.1 eV relative to those via the Cl 2p → 10e* excitation and Cl 2p → shape resonance excitation, respectively. The enhancement of the yields of ionic fragments at specific core-excited resonance states is assisted by a strongly repulsive surface that is directly related to the spectator electrons localized in the antibonding orbitals. The Cl- anion is significantly reinforced in the vicinity of Cl 2p ionization threshold of gaseous HCCl3, mediated by photoelectron recapture through post-collision interaction.

  2. Natural occupation numbers in two-electron quantum rings

    Energy Technology Data Exchange (ETDEWEB)

    Tognetti, Vincent, E-mail: vincent.tognetti@univ-rouen.fr [Normandy Univ., COBRA UMR 6014 & FR 3038, Université de Rouen, INSA Rouen, CNRS, 1 rue Tesniére, 76821 Mont Saint Aignan, Cedex (France); Loos, Pierre-François [Research School of Chemistry, Australian National University, Canberra ACT 2601 (Australia)

    2016-02-07

    Natural orbitals (NOs) are central constituents for evaluating correlation energies through efficient approximations. Here, we report the closed-form expression of the NOs of two-electron quantum rings, which are prototypical finite-extension systems and new starting points for the development of exchange-correlation functionals in density functional theory. We also show that the natural occupation numbers for these two-electron paradigms are in general non-vanishing and follow the same power law decay as atomic and molecular two-electron systems.

  3. Natural occupation numbers in two-electron quantum rings

    Science.gov (United States)

    Tognetti, Vincent; Loos, Pierre-François

    2016-02-01

    Natural orbitals (NOs) are central constituents for evaluating correlation energies through efficient approximations. Here, we report the closed-form expression of the NOs of two-electron quantum rings, which are prototypical finite-extension systems and new starting points for the development of exchange-correlation functionals in density functional theory. We also show that the natural occupation numbers for these two-electron paradigms are in general non-vanishing and follow the same power law decay as atomic and molecular two-electron systems.

  4. Natural occupation numbers in two-electron quantum rings.

    Science.gov (United States)

    Tognetti, Vincent; Loos, Pierre-François

    2016-02-07

    Natural orbitals (NOs) are central constituents for evaluating correlation energies through efficient approximations. Here, we report the closed-form expression of the NOs of two-electron quantum rings, which are prototypical finite-extension systems and new starting points for the development of exchange-correlation functionals in density functional theory. We also show that the natural occupation numbers for these two-electron paradigms are in general non-vanishing and follow the same power law decay as atomic and molecular two-electron systems.

  5. On the Beebe-Linderberg two-electron integral approximation

    Science.gov (United States)

    Røeggen, I.; Wisløff-Nilssen, E.

    1986-12-01

    The Beebe-Linderberg two-electron integral approximation, which is generated by a Cholesky decomposition of the two-electron integral matrix ([μν|λσ]), is slightly modified. On the basis of test calculations, two key questions concerning this approximation are discussed: The numerical rank of the two-electron integral matrix and the relationship between the integral threshold and electronic properties. The numerical results presented in this work suggest that the modified Beebe-Linderberg approximation might be considered as an alternative to effective core potential methods.

  6. Charge Inversion of Phospholipids by Dimetal Complexes for Positive Ion-Mode Electrospray Ionization Mass Spectrometry Analysis

    DEFF Research Database (Denmark)

    Svane, Simon; Gorshkov, Vladimir; Kjeldsen, Frank

    2015-01-01

    Phospholipids are vital constituents of living cells, as they are involved in signaling and membrane formation. Mass spectrometry analysis of many phospholipids is preferentially performed in the negative ion-mode because of their acidic nature. Here we have studied the potential of a digallium...... phosphates and phosphatidic acid bound to {LGa2}(5+) were between 2.5- and 116-fold higher than that of the unmodified lipids in the negative ion-mode. Native phosphoinositide ions yielded upon CID in the negative ion-mode predominantly product ions due to losses of H3PO4, PO3(-) and H2O. In comparison, CID...... and dizinc complex to charge-invert a range of different types of phospholipids and measured their ion yield and fragmentation behavior in positive ion-mode tandem mass spectrometry. The dimetal complexes bind specifically the phosphate groups of phospholipids and add an excess of up to three positive...

  7. The beam bunching and transport system of the Argonne positive ion injector

    Energy Technology Data Exchange (ETDEWEB)

    Den Hartog, P.K.; Bogaty, J.M.; Bollinger, L.M.; Clifft, B.E.; Pardo, R.C.; Shepard, K.W.

    1989-01-01

    A new positive ion injector (PII) is currently under construction at Argonne that will replace the existing 9-MV tandem electrostatic accelerator as an injector into ATLAS. It consists of an electron-cyclotron resonance-ion source on a 350-kV platform injecting into a superconducting linac optimized for very slow (..beta.. less than or equal to .007 c) ions. This combination can potentially produce even higher quality heavy-ion beams than are currently available from the tandem since the emittance growth within the linac is largely determined by the quality of the bunching and beam transport. The system we have implemented uses a two-stage bunching system, composed of a 4-harmonic gridded buncher located on the ECR high-voltage platform and a room temperature spiral-loaded buncher of novel design. A sinusoidal beam chopper is used for removal of tails. The beam transport is designed to provide mass resolution of M/..delta..M > 250 and a doubly-isochronous beamline is used to minimize time spread due to path length differences. 4 refs., 2 figs.

  8. Excitation of the CO fourth positive system by the dissociative recombination of CO2/+/ ions.

    Science.gov (United States)

    Gutcheck, R. A.; Zipf, E. C.

    1973-01-01

    The fourth positive system of CO has been excited in a static afterglow experiment by the dissociative recombination of CO2(+) ions. From combined absolute optical and microwave measurements the specific recombination coefficient for exciting the CO system was found to be (2 plus 1 or minus 0.5) x 10 to the minus 8th cu cm/sec. This value represents approximately 5% of the total recombination coefficient (4.0 plus or minus 0.5) x 10 to the minus 7th cu cm/sec measured in this experiment, implying that CO2(+) dissociative recombination will contribute significantly to the excitation of the CO fourth positive system in the Martian airglow. Corroborative electron heating experiments showed that the magnitude of the specific recombination coefficient decreased as the electron temperature was increased. Evidence was also found for the presence of vibrationally excited ions in the CO2(+) plasma, a result which indicates that analogous laboratory studies on the dissociative recombination of O2(+), N2(+), and NO(+) ions may have also involved vibrationally hot plasmas.

  9. Surface modification of positive electrode materials for lithium-ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Julien, C.M., E-mail: Christian.Julien@upmc.fr [Sorbonne Universités, UPMC Univ. Paris 6, Physicochimie des Electrolytes et Nanosystèmes Interfaciaux (PHENIX), UMR 8234, 75005 Paris (France); Mauger, A. [Institut de Minéralogie de Physique des Matériaux et de Cosmochimie (IMPMC), UPMC Univ. Paris 6, 4 place Jussieu, 75005 Paris (France); Groult, H. [Sorbonne Universités, UPMC Univ. Paris 6, Physicochimie des Electrolytes et Nanosystèmes Interfaciaux (PHENIX), UMR 8234, 75005 Paris (France); Zaghib, K. [Energy Storage and Conversion, Research Institute of Hydro-Québec, Varennes, Québec J3X 1S1 (Canada)

    2014-12-01

    The advanced lithium-ion batteries are critically important for a wide range of applications, from portable electronics to electric vehicles. The research on their electrodes aims to increase the energy density and the power density, improve the calendar and the cycling life, without sacrificing the safety issues. A constant progress through the years has been obtained owing to the surface treatment of the particles, in particular the coating of the nanoparticles with a layer that protects the core region from side reactions with the electrolyte, prevents the loss of oxygen, and the dissolution of the metal ions in the electrolyte, or simply improve the conductivity of the powder. The purpose of the present work is to present the different surface modifications that have been tried for three families of positive electrodes: layered, spinel and olivine frameworks that are currently considered as promising materials. The role of the different coats used to improve either the surface conductivity, or the thermal stability, or the structural integrity is discussed. - Highlights: • Report the various surface modifications tried for the positive electrodes of Li-ion batteries. • The role of different coats used to improve the conductivity, or the thermal stability, or the structural integrity. • Improvement of electrochemical properties of electrodes after coating or surface treatment.

  10. Engineering design and study of the beam position accuracy in the "Riesenrad" ion gantry

    CERN Document Server

    Reimoser, S A

    2001-01-01

    Beams of carbon ions are particularly well suited for radiotherapy. Their physical properties allow the 3D-conformal tumour irradiation with a sub-millimetre precision, provided that the beam is delivered by a rotating gantry equipped with a pencil-beam scanning system. However, the expected size and weight of such a carbon-ion gantry together with the requirement to direct the beam to the patient with an extreme position accuracy has so far prevented its realisation and stimulated the search for alternative solutions. One of them, the "Riesenrad" ion gantry, is introduced in the present paper. In contrast to conventional isocentric gantries, the main bending magnet of the Riesenrad is placed on the axis of gantry rotation, hence minimising the moment of inertia of the mobile structure and maximising its rigidity. The treatment cabin is smoothly moved towards the desired treatment position by a system that is mechanically de-coupled from the gantry. The engineering design as well as some aspects of the beam t...

  11. Fragmentation Mechanism of Fullerenes in the Positive and Negative Ion Channels

    Institute of Scientific and Technical Information of China (English)

    孔庆宇; 赵利; 庄军; 钱士雄; 李郁芬

    2001-01-01

    We have performed the photofragmentation studies of pristine C60 and C60/C70 composites on the reflectron time-of-flight mass spectrometer (RTOF MS) in the positive and negative ion channels. The mechanism of the formation of daughter fullerenes in the negative ion channel and the enhancement of fullerene coalescence reactions have been discussed and compared to our previous studies on the linear TOF. The 5 cm free expansion path in the RTOF experiments provides sufficient time and a favourable environment for the electrons to attach to the neutral daughter species, so it is thought to play a key role for the appearance of strong mass peaks of anionic fragmentation and aggregation fullerene products. The appearance of odd-numbered "fullerene" fragments is briefly discussed.

  12. Positively and Negatively Charged Cesium and (C60) m Cs n Cluster Ions.

    Science.gov (United States)

    Renzler, Michael; Kranabetter, Lorenz; Goulart, Marcelo; Scheier, Paul; Echt, Olof

    2017-05-25

    We report on the formation and ionization of cesium and C60Cs clusters in superfluid helium nanodroplets. Size distributions of positively and negatively charged (C60) m Cs n(±) ions have been measured for m ≤ 7, n ≤ 12. Reproducible intensity anomalies are observed in high-resolution mass spectra. For both charge states, (C60) m Cs3(±) and (C60) m Cs5(±) are particularly abundant, with little dependence on the value of m. Distributions of bare cesium cluster ions also indicate enhanced stability of Cs3(±) and Cs5(±), in agreement with theoretical predictions. These findings contrast with earlier reports on highly Cs-doped cationic fullerene aggregates which showed enhanced stability of C60Cs6 building blocks attributed to charge transfer. The dependence of the (C60) m Cs3(-) anion yield on electron energy shows a resonance that, surprisingly, oscillates in strength as m increases from 1 to 6.

  13. Effects of roughness and temperature on low-energy hydrogen positive and negative ion reflection from silicon and carbon surfaces.

    Science.gov (United States)

    Tanaka, N; Kato, S; Miyamoto, T; Nishiura, M; Tsumori, K; Matsumoto, Y; Kenmotsu, T; Okamoto, A; Kitajima, S; Sasao, M; Wada, M; Yamaoka, H

    2014-02-01

    Angle-resolved energy distribution functions of positive and negative hydrogen ions produced from a rough-finished Si surface under 1 keV proton irradiation have been measured. The corresponding distribution from a crystalline surface and a carbon surface are also measured for comparison. Intensities of positive and negative ions from the rough-finished Si are substantially smaller than those from crystalline Si. The angular distributions of these species are broader for rough surface than the crystalline surface. No significant temperature dependence for positive and negative ion intensities is observed for all samples in the temperature range from 300 to 400 K.

  14. First operational tests of the positive-ion injector for ATLAS

    Energy Technology Data Exchange (ETDEWEB)

    Bollinger, L.M.; Den Hartog, P.K.; Pardo, R.C.; Shepard, K.W.; Benaroya, R.; Billquist, P.J.; Clifft, B.E.; Markovich, P.; Munson, F.H. Jr.; Nixon, J.M.

    1989-01-01

    This paper summarizes the status and first operational experience with the positive-ion injector for ATLAS. The new injector consists of an ECR ion source on a 350-kV platform, followed by a superconducting injector linac of a new kind. In Phase I of this project, the ECR source, voltage platform, bunching system, beam-transport system, and a 3-MV injector linac were completed and tested in early 1989 by a successful acceleration of an /sup 40/Ar/sup 12 +/ beam. Most of the new system operated as planned, and the longitudinal emittance of the 36-MeV beam out of the injector was measured to be only 5 ..pi.. keV-ns, much smaller than the emittance for the present tandem injector. When completed in 1990, the final injector linac will be enlarged to 12 MV, enough to allow the original ATLAS linac to accelerate uranium ions up to 8 MeV/u. 8 refs., 2 figs.

  15. Superconducting low-velocity linac for the Argonne positive-ion injector

    Energy Technology Data Exchange (ETDEWEB)

    Shepard, K.W.; Markovich, P.K.; Zinkann, G.P.; Clifft, B.; Benaroya, R.

    1989-01-01

    A low-velocity superconducting linac has been developed as part of a positive-ion injector system, which is replacing a 9 MV tandem as the injector for the ATLAS accelerator. The linac consists of an independently phased array of resonators, and is designed to accelerate various ions over a velocity range .008 < v/c < .06. The resonator array is formed of four different types of superconducting interdigital structures. The linac is being constructed in three phases, each of which will cover the full velocity range. Successive phases will increase the total accelerating potential and permit heavier ions to be accelerated. Assembly of the first phase was completed in early 1989. In initial tests with beam, a five-resonator array provided approximately 3.5 MV of accelerating potential and operated without difficulty for several hundred hours. The second phase is scheduled for completion in late 1989, and will increase the accelerating potential to more than 8 MV. 5 refs., 2 figs., 1 tab.

  16. Real-time single-ion hit position detecting system for cell irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Satoh, Takahiro, E-mail: satoh.takahiro37@jaea.go.jp [Takasaki Advanced Radiation Research Institute, Japan Atomic Energy Agency (JAEA), 1233 Watanuki-machi, Takasaki, Gunma 370-1292 (Japan); Koka, Masahi [Takasaki Advanced Radiation Research Institute, Japan Atomic Energy Agency (JAEA), 1233 Watanuki-machi, Takasaki, Gunma 370-1292 (Japan); Kada, Wataru [Faculty of Science and Technology, Gunma University, 1-5-1 Tenjin-machi, Kiryu, Gunma 376-8515 (Japan); Yokoyama, Akihito; Kamiya, Tomihiro [Takasaki Advanced Radiation Research Institute, Japan Atomic Energy Agency (JAEA), 1233 Watanuki-machi, Takasaki, Gunma 370-1292 (Japan)

    2014-08-01

    We have developed a real-time single-ion hit position detecting system to replace a CR-39 solid-state nuclear-track detector for cell irradiation experiments because the CR-39 takes several minutes for off-line etching. The new real-time system consists of a 500-μm-thick CaF{sub 2}(Eu) scintillator, an optical microscope with a 10× objective lens, and a high-gain charge-coupled device camera. Each of the 260-MeV neon ions passing through a 100-μm-thick CR-39 sheet was detected using the real-time system in a performance test for the spatial resolution. The full width at half maxima (FWHMs) of the distances between positions detected by the real-time system and the centers of the etch pits on CR-39 were 6.5 and 6.9 μm in the x and y directions, respectively. The result shows that the system is useful for typical cultured cells of a few tens of micrometers in size.

  17. Beam position monitor R&D for keV ion beams

    CERN Document Server

    Naveed, S; Nosych, A; Søby,L

    2013-01-01

    Beams of cooled antiprotons at keV energies shall be provided by the Ultra-low energy Storage Ring (USR) at the Facility for Low energy Antiproton and Ion Research (FLAIR) and the Extra Low ENergy Antiproton ring (ELENA) at CERN's Antiproton Decelerator (AD) facility. Both storage rings put challenging demands on the beam position monitoring (BPM) system as their capacitive pick-ups should be capable of determining the beam position of beams at low intensities and low velocities, close to the noise level of state-of-the-art electronics. In this contribution we describe the design and anticipated performance of BPMs for low-energy ion beams with a focus on the ELENA orbit measurement systems. We also present the particular challenges encountered in the numerical simulation of pickup response at very low beta values. Finally, we provide an outlook on how the implementation of faster algorithms for the simulation of BPM characteristics could potentially help speed up such studies considerably.

  18. Majorana solutions to the two-electron problem

    CERN Document Server

    Esposito, S

    2012-01-01

    A review of the known different methods and results devised to study the two-electron atom problem, appeared in the early years of quantum mechanics, is given, with particular reference to the calculations of the ground state energy of helium. This is supplemented by several, unpublished results obtained around the same years by Ettore Majorana, which results did not convey in his published papers on the argument, and thus remained unknown until now. Particularly interesting, even for current research in atomic and nuclear physics, is a general variant of the variational method, developed by Majorana in order to take directly into account, already in the trial wavefunction, the action of the full Hamiltonian operator of a given quantum system. Moreover, notable calculations specialized to the study of the two-electron problem show the introduction of the remarkable concept of an effective nuclear charge different for the two electrons (thus generalizing previous known results), and an application of the pertu...

  19. Two-electron quantum ring in short pulses

    Institute of Scientific and Technical Information of China (English)

    Poonam Silotia; Rakesh Kumar Meena; Vinod Prasad

    2015-01-01

    The response of two-electron quantum ring system to the short laser pulses of different shapes in the presence of external static electric field is studied. The variation of transition probabilities of the two-electron quatum ring from ground state to excited states with a number of parameters is shown and explained. The energy levels and wavefunctions of the system in the presence of static electric field are found by solving the time-independent Schr ¨odinger equation numerically by finite difference method. The shape of the pulse plays a dominant role on the dynamics.

  20. Attosecond-correlated dynamics of two electrons in argon

    Indian Academy of Sciences (India)

    V Sharma; N Camus; B Fischer; M Kremer; A Rudenko; B Bergues; M Kuebel; N G Johnson; M F Kling; T Pfeifer; J Ullrich; R Moshammer

    2014-01-01

    In this work we explored strong field-induced decay of doubly excited transient Coulomb complex Ar** → Ar2++2. We measured the correlated two-electron emission as a function of carrier envelop phase (CEP) of 6 fs pulses in the non-sequential double ionization (NSDI) of argon. Classical model calculations suggest that the intermediate doubly excited Coulomb complex loses memory of its formation dynamics. We estimated the ionization time difference between the two electrons from NSDI of argon and it is 200 ± 100 as (N Camus et al, Phys. Rev. Lett. 108, 073003 (2012)).

  1. Quantum Chemical Calculations of the Structure, Property and Stability of Penta-coordinated Carbonium Ions Derived from Normal Butane

    Institute of Scientific and Technical Information of China (English)

    Tao Haiqiao; Long Jun; Zhou Han; Xie Chaogang; Dai Zhenyu; Wei Xiaoli

    2009-01-01

    The structure and energy of the carbonium ions formed upon protonation of butane were studied by the DFT methods. Four stable structures are identified for the protonated form of n-butane, the energy increases in the following order: C2HC3C1HC2>C2HH>C1HH. The stability of the penta-enordinated carbonium ions may be explained by the electron distribution in the three-center-two-electron bonds. The delocalization of the penta-eoordinated carbonium ion CHC with three-center-two-electron bonds on positive charges was stronger than that of the penta-coordinated carbonium ion CHH with three-center-two-electron bonds and its stability was higher than that of the penta-coordinated earbonium ion CHH with three-center-two-electron bonds.

  2. Ion channel modulators as potential positive inotropic compound for treatment of heart failure.

    Science.gov (United States)

    Doggrell, S; Hoey, A; Brown, L

    1994-11-01

    1. Current positive inotropy therapy of heart failure is associated with major problems: digoxin and the phosphodiesterase inhibitors can cause life-threatening toxicity while beta-adrenoceptor agonists become less effective inotropic compounds as heart failure progresses. A new approach to positive inotropy is ion channel modulation. 2. An increased influx of Na+ during the cardiac action potential, as measured with DPI 201-106 and BDF 9148 which increase the probability of the open state of the Na+ channel, will increase force of contraction. 3. Activation of L-type Ca2+ channels with Bay K 8644 will increase influx of Ca2+ and increase the force of contraction. However the Ca2+ channel activators developed to date have little potential for the treatment of heart failure as they are vasoconstrictors. 4. Blocking cardiac K+ channels is a possible mechanism of positive inotropy. Terikalant inhibits the inward rectifying K+ channel, tedisamil inhibits the transient outward K+ channel and dofetilide is one of the newly developed inhibitors of the slow delayed outward rectifying K+ channel. All these drugs prolong the cardiac action potential to increase Ca2+ entry and force of contraction. 5. Thus drugs which increase Na+ influx or block K+ channels represent exciting possibilities for positive inotropy and the potential of these compounds for the treatment of heart failure needs to be fully evaluated.

  3. Role of positive ions on the surface production of negative ions in a fusion plasma reactor type negative ion source—Insights from a three dimensional particle-in-cell Monte Carlo collisions model

    Energy Technology Data Exchange (ETDEWEB)

    Fubiani, G.; Boeuf, J. P. [Université de Toulouse, UPS, INPT, LAPLACE (Laboratoire Plasma et Conversion d' Energie), 118 route de Narbonne, F-31062 Toulouse cedex 9 (France); CNRS, LAPLACE, F-31062 Toulouse (France)

    2013-11-15

    Results from a 3D self-consistent Particle-In-Cell Monte Carlo Collisions (PIC MCC) model of a high power fusion-type negative ion source are presented for the first time. The model is used to calculate the plasma characteristics of the ITER prototype BATMAN ion source developed in Garching. Special emphasis is put on the production of negative ions on the plasma grid surface. The question of the relative roles of the impact of neutral hydrogen atoms and positive ions on the cesiated grid surface has attracted much attention recently and the 3D PIC MCC model is used to address this question. The results show that the production of negative ions by positive ion impact on the plasma grid is small with respect to the production by atomic hydrogen or deuterium bombardment (less than 10%)

  4. Proton affinities of candidates for positively charged ambient ions in boreal forests

    Science.gov (United States)

    Ruusuvuori, K.; Kurtén, T.; Ortega, I. K.; Faust, J.; Vehkamäki, H.

    2013-10-01

    The optimized structures and proton affinities of a total of 81 nitrogen-containing bases, chosen based on field measurements of ambient positive ions, were studied using the CBS-QB3 quantum chemical method. The results were compared to values given in the National Institute of Standards and Technology (NIST) Chemistry WebBook in cases where a value was listed. The computed values show good agreement with the values listed in NIST. Grouping the molecules based on their molecular formula, the largest calculated proton affinities for each group were also compared with experimentally observed ambient cation concentrations in a boreal forest. This comparison allows us to draw qualitative conclusions about the relative ambient concentrations of different nitrogen-containing organic base molecules.

  5. Proton affinities of candidates for positively charged ambient ions in the boreal forest

    Directory of Open Access Journals (Sweden)

    K. Ruusuvuori

    2013-04-01

    Full Text Available The optimized structures and proton affinities of a total of 81 nitrogen-containing bases, chosen based on field measurements of ambient positive ions, were studied using the CBS-QB3 quantum chemical method. The results were compared to values given in the National Institute of Standards and Technology (NIST Chemistry WebBook in cases where a value was listed. The computed values show good agreement with the values listed in NIST. Grouping the molecules based on their molecular formula, the largest calculated proton affinities for each group were also compared with experimentally observed ambient cation concentrations in the boreal forest. This comparison allows us to draw qualitative conclusions about the relative ambient concentrations of different nitrogen-containing organic base molecules.

  6. Proton affinities of candidates for positively charged ambient ions in the boreal forest

    Science.gov (United States)

    Ruusuvuori, K.; Kurtén, T.; Ortega, I. K.; Faust, J.; Vehkamäki, H.

    2013-04-01

    The optimized structures and proton affinities of a total of 81 nitrogen-containing bases, chosen based on field measurements of ambient positive ions, were studied using the CBS-QB3 quantum chemical method. The results were compared to values given in the National Institute of Standards and Technology (NIST) Chemistry WebBook in cases where a value was listed. The computed values show good agreement with the values listed in NIST. Grouping the molecules based on their molecular formula, the largest calculated proton affinities for each group were also compared with experimentally observed ambient cation concentrations in the boreal forest. This comparison allows us to draw qualitative conclusions about the relative ambient concentrations of different nitrogen-containing organic base molecules.

  7. Proton affinities of candidates for positively charged ambient ions in boreal forests

    Directory of Open Access Journals (Sweden)

    K. Ruusuvuori

    2013-10-01

    Full Text Available The optimized structures and proton affinities of a total of 81 nitrogen-containing bases, chosen based on field measurements of ambient positive ions, were studied using the CBS-QB3 quantum chemical method. The results were compared to values given in the National Institute of Standards and Technology (NIST Chemistry WebBook in cases where a value was listed. The computed values show good agreement with the values listed in NIST. Grouping the molecules based on their molecular formula, the largest calculated proton affinities for each group were also compared with experimentally observed ambient cation concentrations in a boreal forest. This comparison allows us to draw qualitative conclusions about the relative ambient concentrations of different nitrogen-containing organic base molecules.

  8. Formation of positive ions in hydrocarbon containing dielectric barrier discharge plasmas

    Science.gov (United States)

    Mihaila, Ilarion; Pohoata, Valentin; Jijie, Roxana; Nastuta, Andrei Vasile; Rusu, Ioana Alexandra; Topala, Ionut

    2016-12-01

    Low temperature atmospheric pressure plasma devices are suitable experimental solutions to generate transitory molecular environments with various applications. In this study we present experimental results regarding the plasma chemistry of dielectric barrier discharges (DBD) in helium - hydrogen (0.1%) - hydrocarbons (1.2%) mixtures. Four types of hydrocarbon gases were studied: methane (CH4), ethane (C2H6), propane (C3H8), and butane (C4H10). Discharge diagnosis and monitoring was assured by electrical measurements and optical emission spectroscopy. Molecular beam mass spectrometry is engaged to sample positive ions populations from two different plasma sources. Dissociation and generation of higher-chain and cyclic (aromatic) hydrocarbons were discussed as a function of feed gas and discharge geometry. We found a strong influence of these parameters on both molecular mass distribution and recombination processes in the plasma volume.

  9. Measurement of the mean radial position of a lead ion beam in the CERN PS

    CERN Document Server

    Belleman, J; González, J; Johnston, S; Schulte, E C; Thivent, E

    1996-01-01

    The intensity of the lead ion beam in the PS, nominally 4×108 charges of Pb53+ per bunch, is too low for the closed orbit measurement system. However, for successful acceleration it is sufficient to know the mean radial position (MRP). A system was thus designed for simultaneous acquisition of revolution frequency and magnetic field. The frequency measurement uses a direct digital synthesiser (DDS), phase-locked to the beam signal from a special high-sensitivity pick-up. The magnetic field is obtained from the so-called B-train. From these two values, the MRP is calculated. The precision depends on the frequency measurement and on the accuracy of the value for the magnetic field. Furthermore, exact knowledge of the transition energy is essential. This paper describes the hardware and software developed for the MRP system, and discusses the issue of calibration, with a proton beam, of the B measurement.

  10. Transport Parameters For Positive IONS In Pure H2O DC Discharge

    Science.gov (United States)

    Petrovic, Zoran; Stojanovic, Vladimir; Jovanovic, Jasmina; Maric, Dragana

    2016-09-01

    Transport properties of positive ions originating from H2O (H2O+, OH+) in DC fields and at the room temperature were calculated by using Monte Carlo simulation technique. Initially, the relevant cross section sets were assessed by using Denpoh-Nanbu theory for resolving between elastic and reactive collision events and then resolving contribution of exothermic processes from available experimental data. Newest experimentally or theoretically determined cross sections were compiled and included wherever possible. We present transport coefficients for low and moderate reduced electric fields E / N (N-gas density) accounting for non-conservative processes. Acknowledgment to Ministry of Education, Science and Technology of Republic Serbia, Projects No. 171037 and 410011.

  11. Mass spectrometry of positive ions in capacitively coupled low pressure RF discharges in oxygen with water impurities

    Science.gov (United States)

    Stefanović, Ilija; Stojanović, Vladimir; Boulmer-Leborgne, Chantal; Lecas, Thomas; Kovacevic, Eva; Berndt, Johannes

    2016-07-01

    A capacitively coupled RF oxygen discharge is studied by means of mass spectroscopy. Mass spectra of neutral and positive species are measured in the mid plane between the electrodes at different distances between plasma and mass-spectrometer orifice. In the case of positive ions, as expected, the largest flux originates from \\text{O}2+ . However, a significant number of impurities are detected, especially for low input powers and larger distances. The most abundant positive ions (besides \\text{O}2+ ) are \\text{N}{{\\text{O}}+}, \\text{NO}2+ , {{\\text{H}}+}≤ft({{\\text{H}}2}\\text{O}\\right) , and {{\\text{H}}+}{{≤ft({{\\text{H}}2}\\text{O}\\right)}2} . In particular, for the case of hydrated hydronium ions {{\\text{H}}+}{{≤ft({{\\text{H}}2}\\text{O}\\right)}n} (n  =  1, 2) a surprisingly large flux (for low pressure plasma conditions) is detected. Another interesting fact concerns the {{\\text{H}}2}{{\\text{O}}+} ions. Despite the relatively high ammount of water impurities {{\\text{H}}2}{{\\text{O}}+} ions are present only in traces. The reaction mechanisms leading to the production of the observed ions, especially the hydrated hydronium ions are discussed.

  12. Charge inversion of phospholipids by dimetal complexes for positive ion-mode electrospray ionization mass spectrometry analysis.

    Science.gov (United States)

    Svane, Simon; Gorshkov, Vladimir; Kjeldsen, Frank

    2015-09-01

    Phospholipids are vital constituents of living cells, as they are involved in signaling and membrane formation. Mass spectrometry analysis of many phospholipids is preferentially performed in the negative ion-mode because of their acidic nature. Here we have studied the potential of a digallium and dizinc complex to charge-invert a range of different types of phospholipids and measured their ion yield and fragmentation behavior in positive ion-mode tandem mass spectrometry. The dimetal complexes bind specifically the phosphate groups of phospholipids and add an excess of up to three positive charges per phosphate group. Three different phosphoinositide phosphates (mono-, di-, and triphosphorylated inositides), a phosphatidic acid, a phosphatidylcholine, a phosphatidylethanolamine, and a phosphatidylglycerol were investigated. The intensities obtained in positive ion-mode of phosphoinositide phosphates and phosphatidic acid bound to {LGa2}(5+) were between 2.5- and 116-fold higher than that of the unmodified lipids in the negative ion-mode. Native phosphoinositide ions yielded upon CID in the negative ion-mode predominantly product ions due to losses of H3PO4, PO3(-) and H2O. In comparison, CID spectra of {LGa2}(5+)-bound phosphoinositides generally resulted in fragment ions corresponding to loss of the full diglyceride chain as well as the remaining headgroup bound to {LGa2}(5+) as the most abundant peaks. A number of signature fragment ions of moderate abundance were observed that allowed for distinction between the three regioisomers of 1,2-di(9Z-octadecenoyl)-sn-glycero-3-[phosphoinositol-x,y-bisphosphate] (PI(3,4)P2, PI(3,5)P2, PI(4,5)P2).

  13. Control of stopping position of radioactive ion beam in superfluid helium for laser spectroscopy experiments

    Energy Technology Data Exchange (ETDEWEB)

    Yang, X.F., E-mail: yangxf@ribf.riken.jp [School of Physics, Peking University, Chengfu Road, Haidian District, Beijing 100871 (China); RIKEN Nishina Center, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Furukawa, T. [Dept. of Physics, Tokyo Metropolitan University, 1-1 Minami-Osawa, Hachioji, Tokyo 192-0397 (Japan); Wakui, T. [Cyclotron and Radioisotope Center Tohoku University, 6-3 Aoba, Aramaki, Aoba-ku, Sendai, Miyagi 980-8578 (Japan); Imamura, K. [Dept. of Physics, Meiji University, 1-1-1 Higashi-Mita, Tama-ku, Kawasaki, Kanagawa 214-8571 (Japan); Tetsuka, H. [Dept. of Physics, Tokyo Gakugei University, 4-1-1 Nukuikitamachi, Koganei, Tokyo 184-8501 (Japan); Fujita, T. [Dept. of Physics, Osaka University, 1-1 Machikaneyama, Toyonaka, Osaka 560-0043 (Japan); Yamaguchi, Y. [Dept. of Physics, Meiji University, 1-1-1 Higashi-Mita, Tama-ku, Kawasaki, Kanagawa 214-8571 (Japan); Tsutsui, Y. [Dept. of Physics, Tokyo Gakugei University, 4-1-1 Nukuikitamachi, Koganei, Tokyo 184-8501 (Japan); Mitsuya, Y. [Dept. of Physics, Meiji University, 1-1-1 Higashi-Mita, Tama-ku, Kawasaki, Kanagawa 214-8571 (Japan); Ichikawa, Y. [Dept. of Physics, Tokyo Institute of Technology, 2-12-1 O-Okayama, Meguro, Tokyo152-8551 (Japan); Ishibashi, Y. [RIKEN Nishina Center, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Dept. of Physics, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8571 (Japan); Yoshida, N.; Shirai, H. [Dept. of Physics, Tokyo Institute of Technology, 2-12-1 O-Okayama, Meguro, Tokyo152-8551 (Japan); Ebara, Y.; Hayasaka, M. [Dept. of Physics, Tokyo Gakugei University, 4-1-1 Nukuikitamachi, Koganei, Tokyo 184-8501 (Japan); Arai, S.; Muramoto, S. [Dept. of Physics, Meiji University, 1-1-1 Higashi-Mita, Tama-ku, Kawasaki, Kanagawa 214-8571 (Japan); Hatakeyama, A. [Dept. of Applied Physics, Tokyo University of Agriculture and Technology, 2-24-16 Naka-cho, Koganei, Tokyo 184-8588 (Japan); Wada, M.; Sonoda, T. [RIKEN Nishina Center, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); and others

    2013-12-15

    In order to investigate the structure of exotic nuclei with extremely low yields by measuring nuclear spins and moments, a new laser spectroscopy technique – “OROCHI” (Optical Radioisotopes Observation in Condensed Helium as Ion-catcher) has been proposed in recent years. The feasibility of this technique has been demonstrated by means of a considerable amount of offline and online studies of various atoms in superfluid helium. For in-situ laser spectroscopy of atoms in He II, trapping atoms in the observation region of laser is a key step. Therefore, a method which enables us to trap accelerated atoms at a precise position in He II is highly needed for performing experiment. In this work, a technique making use of a degrader, two plastic scintillators and a photon detection system is established for checking the stopping position of beam based on the LISE++ calculation. The method has been tested and verified by on-line experiments with the {sup 84,85,87}Rb beam. Details of the experimental setup, working procedure and testing results of this method are presented.

  14. Excitations and benchmark ensemble density functional theory for two electrons

    CERN Document Server

    Pribram-Jones, Aurora; Trail, John R; Burke, Kieron; Needs, Richard J; Ullrich, Carsten A

    2014-01-01

    A new method for extracting ensemble Kohn-Sham potentials from accurate excited state densities is applied to a variety of two electron systems, exploring the behavior of exact ensemble density functional theory. The issue of separating the Hartree energy and the choice of degenerate eigenstates is explored. A new approximation, spin eigenstate Hartree-exchange (SEHX), is derived. Exact conditions that are proven include the signs of the correlation energy components, the virial theorem for both exchange and correlation, and the asymptotic behavior of the potential for small weights of the excited states. Many energy components are given as a function of the weights for two electrons in a one-dimensional flat box, in a box with a large barrier to create charge transfer excitations, in a three-dimensional harmonic well (Hooke's atom), and for the He atom singlet-triplet ensemble, singlet-triplet-singlet ensemble, and triplet bi-ensemble.

  15. Excitations and benchmark ensemble density functional theory for two electrons

    Energy Technology Data Exchange (ETDEWEB)

    Pribram-Jones, Aurora; Burke, Kieron [Department of Chemistry, University of California-Irvine, Irvine, California 92697 (United States); Yang, Zeng-hui; Ullrich, Carsten A. [Department of Physics and Astronomy, University of Missouri, Columbia, Missouri 65211 (United States); Trail, John R.; Needs, Richard J. [Theory of Condensed Matter Group, Cavendish Laboratory, University of Cambridge, Cambridge CB3 0HE (United Kingdom)

    2014-05-14

    A new method for extracting ensemble Kohn-Sham potentials from accurate excited state densities is applied to a variety of two-electron systems, exploring the behavior of exact ensemble density functional theory. The issue of separating the Hartree energy and the choice of degenerate eigenstates is explored. A new approximation, spin eigenstate Hartree-exchange, is derived. Exact conditions that are proven include the signs of the correlation energy components and the asymptotic behavior of the potential for small weights of the excited states. Many energy components are given as a function of the weights for two electrons in a one-dimensional flat box, in a box with a large barrier to create charge transfer excitations, in a three-dimensional harmonic well (Hooke's atom), and for the He atom singlet-triplet ensemble, singlet-triplet-singlet ensemble, and triplet bi-ensemble.

  16. CMS: Simulated Higgs to two jets and two electrons

    CERN Multimedia

    1997-01-01

    This track is an example of simulated data modelled for the CMS detector on the Large Hadron Collider (LHC) at CERN, which will begin taking data in 2008. Here a Higgs boson is produced which decays into two jets of hadrons and two electrons. The lines represent the possible paths of particles produced by the proton-proton collision in the detector while the energy these particles deposit is shown in blue.

  17. Quantum Transport in Solids: Two-Electron Processes.

    Science.gov (United States)

    1995-06-01

    The central objective of this research program has been to study theoretically the underlying principles of quantum transport in solids. The area of...research investigated has emphasized the understanding of two electron processes in quantum transport . The problems have been treated analytically to...the extent possible through the use of dynamical localized Wannier functions. These results have been and are being incorporated in a full quantum

  18. Dissipative two-electron transfer: A numerical renormalization group study

    Science.gov (United States)

    Tornow, Sabine; Bulla, Ralf; Anders, Frithjof B.; Nitzan, Abraham

    2008-07-01

    We investigate nonequilibrium two-electron transfer in a model redox system represented by a two-site extended Hubbard model and embedded in a dissipative environment. The influence of the electron-electron interactions and the coupling to a dissipative bosonic bath on the electron transfer is studied in different temperature regimes. At high temperatures, Marcus transfer rates are evaluated, and at low temperatures, we calculate equilibrium and nonequilibrium population probabilities of the donor and acceptor with the nonperturbative numerical renormalization group approach. We obtain the nonequilibrium dynamics of the system prepared in an initial state of two electrons at the donor site and identify conditions under which the electron transfer involves one concerted two-electron step or two sequential single-electron steps. The rates of the sequential transfer depend nonmonotonically on the difference between the intersite and on-site Coulomb interaction, which become renormalized in the presence of the bosonic bath. If this difference is much larger than the hopping matrix element, the temperature as well as the reorganization energy, simultaneous transfer of both electrons between donor and acceptor can be observed.

  19. Spatial distributions of photons in plastic scintillator detected by multi-anode photomultiplier for heavy-ion position determination

    Energy Technology Data Exchange (ETDEWEB)

    Omika, S. [Department of Physics, Saitama University, Saitama 338-8570 (Japan); Yamaguchi, T., E-mail: yamaguti@phy.saitama-u.ac.jp [Department of Physics, Saitama University, Saitama 338-8570 (Japan); Fukuda, M. [Department of Physics, Osaka University, Toyonaka, Osaka 560-0043 (Japan); Kitagawa, A. [National Institute of Radiological Sciences, Chiba 263-8555 (Japan); Matsunaga, S. [Department of Physics, Saitama University, Saitama 338-8570 (Japan); Nagae, D. [Institute of Physics, University of Tsukuba, Ibaraki 305-8571 (Japan); Nishimura, D. [Department of Physics, Tokyo University of Science, Noda 278-8510 (Japan); Nishimura, T. [Department of Physics, Saitama University, Saitama 338-8570 (Japan); Ozawa, A. [Institute of Physics, University of Tsukuba, Ibaraki 305-8571 (Japan); Sato, S. [National Institute of Radiological Sciences, Chiba 263-8555 (Japan); Sawahata, K. [Institute of Physics, University of Tsukuba, Ibaraki 305-8571 (Japan); Suzuki, T.; Takeuchi, Y. [Department of Physics, Saitama University, Saitama 338-8570 (Japan)

    2015-10-11

    The spatial distributions of scintillation photons in a plastic scintillation detector were measured using a multi-anode photomultiplier H7546A coupled with 1-mm-diameter optical fibers. A row of several tens of fibers connected to the scintillator generates one-dimensional spatial distributions of photons induced by the swift passage of heavy ions. The pulse heights from each channel change depending on the beam position. This can be utilized to determine the positions of the heavy ions. To test the performance of the proposed detection method, an experiment using a {sup 84}Kr beam with intermediate energies ranging from 40 to 85 MeV/nucleon was performed at the heavy-ion medical accelerator in Chiba (HIMAC). The photon spatial distributions were successfully observed. By optimizing the photomultiplier bias voltage and threshold in the pulse height analyses, a detection efficiency of 98% and a position resolution of 1.1 mm in σ were achieved simultaneously.

  20. First composition measurements of positive chemiions in aircraft jet engine exhaust: detection of numerous ion species containing organic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Kiendler, A.; Arnold, F. [Max Planck Institute for Nuclear Physics, Heidelberg (Germany). Atmospheric Physics Division

    2002-06-01

    First mass-spectrometric composition measurements with high mass resolution of positive chemiions (CI) were made in the exhaust of an aircraft jet engine at ground level. The ion mass spectrometer used was a quadrupole ion-trap mass spectrometer with a high mass resolution and a large mass range (up to 2000 atomic mass units (amu)). The mass spectrum which extends from 150 to 2000 amu is very crowded showing a mass peak at nearly every mass number m. CI with odd m are much more abundant than CI with even m. Groups of mass peaks separated by 14 amu are clearly noticeable indicating CH{sub 2} groups. Probably many of the observed positive CI are protonated massive volatile organic compounds (VOCs). Some of the observed positive CI may also be cluster ions composed of VOCs. (author)

  1. Energy Recovery from a Space-Charge Neutralized Positive Ion Beam by Means of Magnetic Electron Suppression

    Science.gov (United States)

    Ryan, Philip Michael

    The charge-exchange neutralization efficiency of positive ion based neutral beams used in plasma heating applications decreases as the beam energy increases. Direct energy recovery from the charged particles can be accomplished by electrostatically decelerating the positive ions; the problem is to effect this without accelerating the space -charge neutralizing electrons residing in the beam. Prior work with both electrostatic and magnetic electron suppression is reviewed. A finite difference ion optics code which solves the nonlinear Vlasov-Poisson equation is adapted to energy recovery application and used to analyze the transverse magnetic field electron suppression experiments carried out at Oak Ridge National Laboratory between 1980 and 1982. Three numerical models are discussed and evaluated. The double plasma model, which assumes an equilibrium Boltzmann distribution of electrons at both the neutralizer potential and the ion collector potential, most successfully duplicates the experimental results with beams in the 40 keV, 10 A range. It is used to analyze the effects of the magnetic field strength, the ion "boost" energy, and the ion beam current density on the ion collection efficiency. Conclusions of the study are: (1) the electron leakage current scales as B('-1), necessitating magnetic suppression fields in excess of 0.1 tesla; (2) the neutralizer geometry should provide an electrostatic field to counteract the magnetic force on the ions; (3) fractional energy beam ions should be confined to the neutralizer interior; (4) the neutral line density in the recovery region should be less than 3 x 10('-3) torr(.)cm. Recovery efficiency decreases with increasing beam current density; a net recovery efficiency of 30% (ion collection efficiency of 75%) at 5 mA/cm('2) falls to zero at 10 mA/cm('2) for a 40 keV beam. New designs are presented and analyzed: an ion collection efficiency of close to 90% is predicted for an 80 keV D ion beam with an ion current

  2. Robotic-based carbon ion therapy and patient positioning in 6 degrees of freedom: setup accuracy of two standard immobilization devices used in carbon ion therapy and IMRT

    Directory of Open Access Journals (Sweden)

    Jensen Alexandra D

    2012-03-01

    Full Text Available Abstract Purpose To investigate repositioning accuracy in particle radiotherapy in 6 degrees of freedom (DOF and intensity-modulated radiotherapy (IMRT, 3 DOF for two immobilization devices (Scotchcast masks vs thermoplastic head masks currently in use at our institution for fractionated radiation therapy in head and neck cancer patients. Methods and materials Position verifications in patients treated with carbon ion therapy and IMRT for head and neck malignancies were evaluated. Most patients received combined treatment regimen (IMRT plus carbon ion boost, immobilization was achieved with either Scotchcast or thermoplastic head masks. Position corrections in robotic-based carbon ion therapy allowing 6 DOF were compared to IMRT allowing corrections in 3 DOF for two standard immobilization devices. In total, 838 set-up controls of 38 patients were analyzed. Results Robotic-based position correction including correction of rotations was well tolerated and without discomfort. Standard deviations of translational components were between 0.5 and 0.8 mm for Scotchcast and 0.7 and 1.3 mm for thermoplastic masks in 6 DOF and 1.2 - 1.4 mm and 1.0 - 1.1 mm in 3 DOF respectively. Mean overall displacement vectors were between 2.1 mm (Scotchcast and 2.9 mm (thermoplastic masks in 6 DOF and 3.9 - 3.0 mm in 3 DOF respectively. Displacement vectors were lower when correction in 6 DOF was allowed as opposed to 3 DOF only, which was maintained at the traditional action level of > 3 mm for position correction in the pre-on-board imaging era. Conclusion Setup accuracy for both systems was within the expected range. Smaller shifts were required when 6 DOF were available for correction as opposed to 3 DOF. Where highest possible positioning accuracy is required, frequent image guidance is mandatory to achieve best possible plan delivery and maintenance of sharp gradients and optimal normal tissue sparing inherent in carbon ion therapy.

  3. Extraction of radioactive positive ions across the surface of superfluid helium : A new method to produce cold radioactive nuclear beams

    NARCIS (Netherlands)

    Huang, WX; Dendooven, P; Gloos, K; Takahashi, N; Pekola, JP; Aysto, J

    2003-01-01

    Alpha-decay recoils Rn-219 were stopped in superfluid helium and positive ions were extracted by electric field into the vapour phase. This first quantitative observation of extraction was successfully conducted using highly sensitive radioactivity detection. The efficiency for extraction across the

  4. Dynamics of two-electron excitations in helium

    Energy Technology Data Exchange (ETDEWEB)

    Caldwell, C.D.; Menzel, A.; Frigo, S.P. [Univ. of Central Florida, Orlando, FL (United States)] [and others

    1997-04-01

    Excitation of both electrons in helium offers a unique window for studying electron correlation at the most basic level in an atom in which these two electrons and the nucleus form a three-body system. The authors utilized the first light available at the U-8 undulator-SGM monochromator beamline to investigate the dynamic parameters, partial cross sections, differential cross sections, and photoelectron angular distribution parameters ({beta}), with a high resolving power for the photon beam and at the highly differential level afforded by the use of their electron spectrometer. In parallel, they carried out detailed calculations of the relevant properties by a theoretical approach that is based on the hyperspherical close-coupling method. Partial photoionization cross sections {sigma}{sub n}, and photoelectron angular distributions {beta}{sub n} were measured for all possible final ionic states He{sup +}(n) in the region of the double excitations N(K,T){sup A} up to the N=5 threshold. At a photon energy bandpass of 12 meV below the thresholds N=3, 4, and 5, this level of differentiation offers the most critical assessment of the dynamics of the two-electron excitations to date. The experimental data were seen to be very well described by the most advanced theoretical calculations.

  5. Two-Dimensional Vanadium Carbide (MXene) as Positive Electrode for Sodium-Ion Capacitors.

    Science.gov (United States)

    Dall'Agnese, Yohan; Taberna, Pierre-Louis; Gogotsi, Yury; Simon, Patrice

    2015-06-18

    Ion capacitors store energy through intercalation of cations into an electrode at a faster rate than in batteries and within a larger potential window. These devices reach a higher energy density compared to electrochemical double layer capacitor. Li-ion capacitors are already produced commercially, but the development of Na-ion capacitors is hindered by lack of materials that would allow fast intercalation of Na-ions. Here we investigated the electrochemical behavior of 2D vanadium carbide, V2C, from the MXene family. We investigated the mechanism of Na intercalation by XRD and achieved capacitance of ∼100 F/g at 0.2 mV/s. We assembled a full cell with hard carbon as negative electrode, a known anode material for Na ion batteries, and achieved capacity of 50 mAh/g with a maximum cell voltage of 3.5 V.

  6. Mass spectrometry of positive ions and neutral species in the effluent of an atmospheric pressure plasma with hexamethyldisiloxane and oxygen

    Science.gov (United States)

    Benedikt, J.; Ellerweg, D.; Schneider, S.; Rügner, K.; R, Reuter; Kersten, H.; Benter, T.

    2013-11-01

    The effluent of a non-equilibrium atmospheric pressure plasma jet in He with admixture of hexamethyldisiloxane (HMDSO) and O2 has been investigated by means of molecular beam mass spectrometry. Positive ions and neutral plasma chemistry products have been detected and their possible role in the deposition of good-quality SiO2 films is discussed. Positive ion spectra reveal the presence of protonated water clusters and H+ : HMDSO and H3O+ : HMDSO ions. These ions are most probably produced by photoionization. This is corroborated by optical emission spectroscopy data obtained in the wavelength range of 50-300 nm, where helium excimer continuum emission centred around 84 nm has been observed. No ion driven polymerization products of HMDSO have been detected. Measurements of neutral species have allowed the quantification of the HMDSO depletion and absolute densities of trimethylsilanol and pentamethyldisiloxane. Two neutral polymerization products have been observed as well. The results indicate that the Si-O bond of HMDSO is preferentially broken. Additionally, the mass balance of plasma chemistry products is discussed.

  7. Analysis of the interface and its position in C60(n+) secondary ion mass spectrometry depth profiling.

    Science.gov (United States)

    Green, F M; Shard, A G; Gilmore, I S; Seah, M P

    2009-01-01

    C60(n+) ions have been shown to be extremely successful for SIMS depth profiling of a wide range of organic materials, causing significantly less degradation of the molecular information than more traditional primary ions. This work focuses on examining the definition of the interface in a C60(n+) SIMS depth profile for an organic overlayer on a wafer substrate. First it investigates the optimum method to define the organic/inorganic interface position. Variations of up to 8 nm in the interface position can arise from different definitions of the interface position in the samples investigated here. Second, it looks into the reasons behind large interfacial widths, i.e., poor depth resolution, seen in C60(n+) depth profiling. This work confirms that, for Irganox 1010 deposited on a wafer, the depth resolution at the Irganox 1010/substrate interface is directly correlated to the roughening of material. C60n+

  8. Evidence of heavy positive ions at the summer Arctic mesopause from the EISCAT UHF incoherent scatter radar

    Energy Technology Data Exchange (ETDEWEB)

    Collis, P.N.; Turunen, T.; Turunen, E.

    1988-02-01

    A confined layer characterized by narrow incoherent scatter spectra has been observed between 86 and 88 km altitude in the high latitude summertime D-region with the EISCAT radar. Properties of the background plasma inferred from spectral measurements outside the layer are in close agreement with model predictions, but the localized minima in spectral width imply much heavier positive ions within the layer. This feature is interpreted as being due to the presence of large clustered ions with mass of the order of 500 amu, which are possibly hydrated protons with a mean hydration index of almost 30. copyright American Geophysical Union 1988

  9. Magnetic alteration of entanglement in two-electron quantum dots

    CERN Document Server

    Simonovic, N S

    2015-01-01

    Quantum entanglement is analyzed thoroughly in the case of the ground and lowest states of two-electron axially symmetric quantum dots under a perpendicular magnetic field. The individual-particle and the center-of-mass representations are used to study the entanglement variation at the transition from interacting to noninteracting particle regimes. The mechanism of symmetry breaking due to the interaction, that results in the states with symmetries related to the later representation only, being entangled even at the vanishing interaction, is discussed. The analytical expression for the entanglement measure based on the linear entropy is derived in the limit of noninteracting electrons. It reproduces remarkably well the numerical results for the lowest states with the magnetic quantum number M>2 in the interacting regime. It is found that the entanglement of the ground state is a discontinuous function of the field strength. A method to estimate the entanglement of the ground state, characterized by the quan...

  10. Thomson spectrometer-microchannel plate assembly calibration for MeV-range positive and negative ions, and neutral atoms

    Energy Technology Data Exchange (ETDEWEB)

    Prasad, R. [Centre for Plasma Physics, School of Mathematics and Physics, The Queen' s University of Belfast, Belfast BT7 1NN (United Kingdom); Abicht, F.; Braenzel, J.; Priebe, G.; Schnuerer, M. [Max Born Institute for Nonlinear Optics and Short Pulse Spectroscopy, 12489 Berlin (Germany); Borghesi, M.; Ter-Avetisyan, S. [Centre for Plasma Physics, School of Mathematics and Physics, The Queen' s University of Belfast, Belfast BT7 1NN (United Kingdom); ELI-Beamlines Project, Institute of Physics of the ASCR, Na Slovance 2, 18221 Prague (Czech Republic); Nickles, P. V. [WCU Department of Nanobio Materials and Electronics, GIST, Gwangju 500-712 (Korea, Republic of)

    2013-05-15

    We report on the absolute calibration of a microchannel plate (MCP) detector, used in conjunction with a Thomson parabola spectrometer. The calibration delivers the relation between a registered count numbers in the CCD camera (on which the MCP phosphor screen is imaged) and the number of ions incident on MCP. The particle response of the MCP is evaluated for positive, negative, and neutral particles at energies below 1 MeV. As the response of MCP depends on the energy and the species of the ions, the calibration is fundamental for the correct interpretation of the experimental results. The calibration method and arrangement exploits the unique emission symmetry of a specific source of fast ions and atoms driven by a high power laser.

  11. Comparative characterization of two-electron wavefunctions using information-theory measures

    Energy Technology Data Exchange (ETDEWEB)

    Howard, I.A., E-mail: ihoward@vub.ac.b [Department of Chemistry (ALGC), Free University of Brussels (VUB), B-1050, Brussels, Belgium/Member of the QCMM-Alliance Ghent-Brussels (Belgium); Borgoo, A.; Geerlings, P. [Department of Chemistry (ALGC), Free University of Brussels (VUB), B-1050, Brussels, Belgium/Member of the QCMM-Alliance Ghent-Brussels (Belgium); Sen, K.D. [School of Chemistry, University of Hyderabad, Hyderabad 500046 (India)

    2009-08-31

    Information-theory measures, in particular the Shannon entropy, Fisher information and statistical complexity, are used to discuss the variations among several commonly encountered model two-electron correlated wavefunctions. The Hookean, Moshinsky, and three-parameter Chandrasekhar wavefunctions are considered in real and momentum space, with further comparisons to the Hookean-Hartree-Fock (HF) wavefunction of Ragot, the numerical HF limit, and the hydrogenic (pure Coulomb) limit. The purpose of the study is to quantitatively analyze the effect of different models for inclusion of electron-electron correlation on information-theoretical measures, including statistical complexity, which characterize the electron distribution in position and momentum space.

  12. Quantum entanglement for two electrons in the excited states of helium-like systems

    CERN Document Server

    Lin, Yen-Chang

    2013-01-01

    The quantum entanglement for the two electrons in the excited states of the helium-like atom/ions is investigated using the two-electron wave functions constructed by the B-spline basis. As a measure of the spatial (electron-electron orbital) entanglement, the von Neumann entropy and linear entropy of the reduced density matrix are calculated for the 1s2s 1,3S excited states for systems with some selected Z values from Z=2 to Z=100. Results for the helium atom are compared with other available calculations. We have also investigated the entropies for these excited states when the nucleus charge is reduced from Z=2 to Z=1. At such a critical charge, all the singly-excited states of this system become unbound, and the linear entropies and the von Neumann entropies for the excited states are approaching 1/2 and 1, respectively, the limits for the entropies when one electron is bound to the nucleus, and the other being free.

  13. Electron-electron interaction in strong electromagnetic fields: the two-electron contribution to the ground-state energy in He-like uranium.

    Science.gov (United States)

    Gumberidze, A; Stöhlker, Th; Banaś, D; Beckert, K; Beller, P; Beyer, H F; Bosch, F; Cai, X; Hagmann, S; Kozhuharov, C; Liesen, D; Nolden, F; Ma, X; Mokler, P H; Orsić-Muthig, A; Steck, M; Sierpowski, D; Tashenov, S; Warczak, A; Zou, Y

    2004-05-21

    Radiative recombination transitions into the ground state of cooled bare and hydrogenlike uranium ions were measured at the storage ring ESR. By comparing the corresponding x-ray centroid energies, this technique allows for a direct measurement of the electron-electron contribution to the ionization potential in the heaviest He-like ions. For the two-electron contribution to the ionization potential of He-like uranium we obtain a value of 2248+/-9 eV. This represents the most accurate determination of two-electron effects in the domain of high-Z He-like ions, and the accuracy reaches already the size of the specific two-electron radiative QED corrections.

  14. Studies on two classes of positive electrode materials for lithium-ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Wilcox, James Douglas [Univ. of California, Berkeley, CA (United States)

    2008-12-01

    The development of advanced lithium-ion batteries is key to the success of many technologies, and in particular, hybrid electric vehicles. In addition to finding materials with higher energy and power densities, improvements in other factors such as cost, toxicity, lifetime, and safety are also required. Lithium transition metal oxide and LiFePO4/C composite materials offer several distinct advantages in achieving many of these goals and are the focus of this report. Two series of layered lithium transition metal oxides, namely LiNi1/3Co1/3-yMyMn1/3O2 (M=Al, Co, Fe, Ti) and LiNi0.4Co0.2-yMyMn0.4O2 (M = Al, Co, Fe), have been synthesized. The effect of substitution on the crystal structure is related to shifts in transport properties and ultimately to the electrochemical performance. Partial aluminum substitution creates a high-rate positive electrode material capable of delivering twice the discharge capacity of unsubstituted materials. Iron substituted materials suffer from limited electrochemical performance and poor cycling stability due to the degradation of the layered structure. Titanium substitution creates a very high rate positive electrode material due to a decrease in the anti-site defect concentration. LiFePO4 is a very promising electrode material but suffers from poor electronic and ionic conductivity. To overcome this, two new techniques have been developed to synthesize high performance LiFePO4/C composite materials. The use of graphitization catalysts in conjunction with pyromellitic acid leads to a highly graphitic carbon coating on the surface of LiFePO4 particles. Under the proper conditions, the room temperature electronic conductivity can be improved by nearly five orders of magnitude over untreated materials. Using Raman spectroscopy, the improvement in conductivity and rate performance of

  15. Complex dynamics in planar two-electron quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Schroeter, Sebastian Josef Arthur

    2013-06-25

    Quantum dots play an important role in a wide range of recent experimental and technological developments. In particular they are promising candidates for realisations of quantum bits and further applications in quantum information theory. The harmonically confined Hooke's atom model is experimentally verified and separates in centre-of-mass and relative coordinates. Findings that are contradictory to this separability call for an extension of the model, in particular changing the confinement potential. In order to study effects of an anharmonic confinement potential on spectral properties of planar two-electron quantum dots a sophisticated numerical approach is developed. Comparison between the Helium atom, Hooke's atom and an anharmonic potential model are undertaken in order to improve the description of quantum dots. Classical and quantum features of complexity and chaos are investigated and used to characterise the dynamics of the system to be mixed regular-chaotic. Influence of decoherence can be described by quantum fidelity, which measures the effect of a perturbation on the time evolution. The quantum fidelity of eigenstates of the system depends strongly on the properties of the perturbation. Several methods for solving the time-dependent Schrödinger equation are implemented and a high level of accuracy for long time evolutions is achieved. The concept of offset entanglement, the entanglement of harmonic models in the noninteracting limit, is introduced. This concept explains different questions raised in the literature for harmonic quantum dot models, recently. It shows that only in the groundstate the electrons are not entangled in the fermionic sense. The applicability, validity, and origin of Hund's first rule in general quantum dot models is further addressed. In fact Hund's first rule is only applicable, and in this case also valid, for one pair of singlet and triplet states in Hooke's atom. For more realistic models of two-electron

  16. Installation, tests and start up of the Tandetron positive ions accelerator; Instalacion, pruebas y arranque del acelerador de iones positivos Tandetron

    Energy Technology Data Exchange (ETDEWEB)

    Valdovinos A, M.A.; Hernandez M, V. [Instituto Nacional de Investigaciones Nucleares, A.P. 18-1027, Mexico D.F. (Mexico)

    2000-07-01

    The National Institute of Nuclear Research acquired a Positive ions accelerator type Tandetron 2MV of the Dutch Company High Voltage Engineering, Europe B.V. (H.V.E.E.) which was installed in the building named Irradiator Nave which is occupied by the Gamma irradiator and the Pelletron accelerator. Starting from the accelerator selection it was defined the conditions required for the operation of this as well as: electric feeding, water quality and quantity, air compressed, temperature, humidity, etc.; as well as the necessary modifications of the installation area. (Author)

  17. Low-Temperature Positive Secondary Ion Mass Spectrometry of Neat and Argon-Diluted Organic Solids

    NARCIS (Netherlands)

    Jonkman, Harry T.; Michl, Josef; King, Robert N.; Andrade, Joseph D.

    1978-01-01

    Secondary ion mass spectrometry of neat solid propane, n-pentane, benzene, toluene, and of propane imbedded in an argon matrix were observed at temperatures varying from 10 to 110 K and show fragmentation patterns similar to those known from ordinary electron impact mass spectrometry. The effects of

  18. Low-Temperature Positive Secondary Ion Mass Spectrometry of Neat and Argon-Diluted Organic Solids

    NARCIS (Netherlands)

    Jonkman, Harry T.; Michl, Josef; King, Robert N.; Andrade, Joseph D.

    1978-01-01

    Secondary ion mass spectrometry of neat solid propane, n-pentane, benzene, toluene, and of propane imbedded in an argon matrix were observed at temperatures varying from 10 to 110 K and show fragmentation patterns similar to those known from ordinary electron impact mass spectrometry. The effects of

  19. Production of lithium positive ions from LiF thin films on the anode in PBFA II

    Energy Technology Data Exchange (ETDEWEB)

    Green, T.A.; Stinnett, R.W.; Gerber, R.A. [and others

    1995-09-01

    The production of positive lithium ions using a lithium-fluoride-coated stainless steel anode in the particle beam fusion accelerator PBFA II is considered from both the experimental and theoretical points of view. It is concluded that the mechanism of Li{sup +} ion production is electric field desorption from the tenth-micron-scale crystallites which compose the columnar growth of the LiF thin film. The required electric field is estimated to be of the order of 5 MV/cm. An essential feature of the mechanism is that the crystallites are rendered electronically conducting through electron-hole pair generation by MeV electron bombardment of the thin film during the operation of the diode. It is proposed that the ion emission mechanism is an electronic conductivity analogue to that discovered by Rollgen for lithium halide crystallites which were rendered ionically conducting by heating to several hundred degrees Celsius. Since an electric field desorption mechanism cannot operate if a surface flashover plasma has formed and reduced the anode electric field to low values, the possibility of flashover on the lithium fluoride coated anode of the PBFA II Li{sup +} ion source is studied theoretically. It is concluded with near certainty that flashover does not occur.

  20. The hydrogen molecule and the H+2 molecular ion inside padded prolate spheroidal cavities with arbitrary nuclear positions

    Science.gov (United States)

    Colín-Rodríguez, R.; Díaz-García, C.; Cruz, S. A.

    2011-12-01

    A generalization of previous theoretical studies of molecular confinement based on the molecule-in-a-box model for the H+2 and H2 systems whereby the confining cavity is assumed to be prolate spheroidal in shape is presented. A finite height for the confining barrier potential is introduced and the independent variation of the nuclear positions from the cavity size and shape is allowed. Within this scheme, the non-separable Schrödinger problem for the confined H+2 and H2 molecules in their ground states is treated variationally. In both cases, an important dependence of the equilibrium bond length and total energy on the confining barrier height is observed for fixed cavity sizes and shapes. It is also shown that—given a barrier height—as the cavity size is reduced, the limit of stability of the confined molecule is attained for a critical size. The results of this work suggest the adequacy of the proposed method for more realistic studies of electronic and vibrational properties of confined one- and two-electron diatomics for proper comparison with experiment.

  1. Evaluating biomass-derived hierarchically porous carbon as the positive electrode material for hybrid Na-ion capacitors

    Science.gov (United States)

    Chen, Jizhang; Zhou, Xiaoyan; Mei, Changtong; Xu, Junling; Zhou, Shuang; Wong, Ching-Ping

    2017-02-01

    As a promising renewable resource, biomass has several advantages such as wide availability, low cost, and versatility. In this study, we use peanut shell, wheat straw, rice straw, corn stalk, cotton stalk, and soybean stalk as the precursors to synthesize hierarchically porous carbon as the positive electrode material for hybrid Na-ion capacitors, aiming to establish a criterion of choosing suitable biomass precursors. The carbon derived from wood-like cotton stalk has abundant interconnected macropores, high surface area of 1994 m2 g-1, and large pore volume of 1.107 cm3 g-1, thanks to which it exhibits high reversible capacitance of 160.5 F g-1 at 0.2 A g-1 and great rate capability, along with excellent cyclability. The carbonaceous positive electrode material is combined with a Na2Ti2.97Nb0.03O7 negative electrode material to assemble a hybrid Na-ion capacitor, which delivers a high specific energy of 169.4 Wh kg-1 at 120.5 W kg-1, ranking among the best-performed hybrid ion capacitors.

  2. Linear and nonlinear optical absorption coefficients of two-electron spherical quantum dot with parabolic potential

    Science.gov (United States)

    Çakır, Bekir; Yakar, Yusuf; Özmen, Ayhan

    2015-02-01

    Linear and nonlinear absorption coefficients of two-electron spherical quantum dot (QD) with parabolic potential are investigated in this paper. Wave functions and energy eigenvalues of the 1s2, 1s1p, 1s1d and 1s1f electronic states have been computed by using an optimization approach, which is a combination of Quantum Genetic Algorithm (QGA) and Hartree-Fock Roothaan (HFR) method. It is found that the strength of S→P transition is stronger than P→D and D→F transitions. Also the peak positions and amplitudes of the absorption coefficients are sensitive to the electron spin. It should be noted that the peak positions and amplitudes of absorption coefficients are strongly dependent on the parabolic potential. Additionally, dot radius, impurity charge, incident optical intensity and relaxation time have a great influence on the linear and nonlinear absorption coefficients.

  3. Linear and nonlinear optical absorption coefficients of two-electron spherical quantum dot with parabolic potential

    Energy Technology Data Exchange (ETDEWEB)

    Çakır, Bekir, E-mail: bcakir@selcuk.edu.tr [Physics Department, Faculty of Science, Selcuk University, Campus 42075, Konya (Turkey); Yakar, Yusuf, E-mail: yuyakar@yahoo.com [Physics Department, Faculty of Arts and Science, Aksaray University, Campus 68100, Aksaray (Turkey); Özmen, Ayhan [Physics Department, Faculty of Science, Selcuk University, Campus 42075, Konya (Turkey)

    2015-02-01

    Linear and nonlinear absorption coefficients of two-electron spherical quantum dot (QD) with parabolic potential are investigated in this paper. Wave functions and energy eigenvalues of the 1s{sup 2}, 1s1p, 1s1d and 1s1f electronic states have been computed by using an optimization approach, which is a combination of Quantum Genetic Algorithm (QGA) and Hartree–Fock Roothaan (HFR) method. It is found that the strength of S→P transition is stronger than P→D and D→F transitions. Also the peak positions and amplitudes of the absorption coefficients are sensitive to the electron spin. It should be noted that the peak positions and amplitudes of absorption coefficients are strongly dependent on the parabolic potential. Additionally, dot radius, impurity charge, incident optical intensity and relaxation time have a great influence on the linear and nonlinear absorption coefficients.

  4. Experimental studies of a microsecond plasma opening switch in the positive polarity regime with inductive load/extraction ion diode

    Science.gov (United States)

    Bystritskii, V. M.; Lisitsyn, I. V.; Sinebryukhov, V. A.; Volkov, S. N.; Krasik, Ya. E.

    1992-06-01

    Systematic studies of the microsecond plasma opening switch (MPOS) operation in the positive polarity of its inner electrode with an inductive load/B-applied ion diode of the extraction type at a level of 0.3 TW of dissipated power were performed at the DOUBLE generator (300 kA, 480 kV, 1 μs). The detailed measurements of ion flow parameters in the conductive phase of the MPOS showed the considerable enhancement of the ion current amplitude over the thermal flow limit (3-10 times) which is coupled with a significant decrease of electron conductivity in the MPOS across its self-magnetic field. The positive polarity MPOS operation proved to be more critical to the stored current amplitudes and geometry of the electrodes in comparison with the negative polarity case. This fact resulted in limitations of satisfactory performance of the MPOS involving short high-voltage pulse duration, low stored current amplitudes, and a narrow region of acceptable electrode diameters. The variation of the diode anode-cathode (AC) gap provided a sensitive control of the MPOS + magnetically insulated diode (MID) system, which displayed very strong coupling, resulting in clamping of the output voltage in a wide region of diode impedances. The early long-duration (<300 ns) high-voltage (50-200 kV) prepulse improves plasma production at the anode of the MID prior to the application of the main pulse. The optimal performance of the MPOS+MID system was realized at the level of ZMPOS/ZMID = 2.5. The energy of the extracted high-power ion beam made up 3.5 kJ, its power being 120 GW with 40% efficiency of energy transfer from MPOS to the MID.

  5. Fabrication of a segmented micro Penning trap and numerical investigations of versatile ion positioning protocols

    CERN Document Server

    Hellwig, M; Singer, K; Werth, G; Schmidt-Kaler, F

    2009-01-01

    We describe a versatile planar Penning trap structure, which allows to dynamically modify the trapping configuration almost arbitrarily. The trap consists of 37 hexagonal electrodes, each of 300 mikron diameter, fabricated in a gold-on-sapphire lithographic technique. Every hexagon can be addressed individually, thus shaping the electric potential. The fabrication of such a device with clean room methods is demonstrated. We illustrate the variability of the device by a detailed numerical simulation of a lateral and a vertical transport and we simulate trapping in racetrack and artificial-crystal configurations. The trap may be used for ions or electrons, as a versatile container for quantum optics and quantum information experiments.

  6. Natural organic matter removal by ion exchange at different positions in the drinking water treatment lane

    Directory of Open Access Journals (Sweden)

    A. Grefte

    2013-01-01

    Full Text Available To guarantee a good water quality at the customers tap, natural organic matter (NOM should be (partly removed during drinking water treatment. The objective of this research was to improve the biological stability of the produced water by incorporating anion exchange (IEX for NOM removal. Different placement positions of IEX in the treatment lane (IEX positioned before coagulation, before ozonation or after slow sand filtration and two IEX configurations (MIEX® and fluidized IEX (FIX were compared on water quality as well as costs. For this purpose the pre-treatment plant at Loenderveen and production plant Weesperkarspel of Waternet were used as a case study. Both, MIEX® and FIX were able to remove NOM (mainly the HS fraction to a high extent. NOM removal can be done efficiently before ozonation and after slow sand filtration. The biological stability, in terms of assimilable organic carbon, biofilm formation rate and dissolved organic carbon, was improved by incorporating IEX for NOM removal. The operational costs were assumed to be directly dependent of the NOM removal rate and determined the difference between the IEX positions. The total costs for IEX for the three positions were approximately equal (0.0631 € m−3, however the savings on following treatment processes caused a cost reduction for the IEX positions before coagulation and before ozonation compared to IEX positioned after slow sand filtration. IEX positioned before ozonation was most cost effective and improved the biological stability of the treated water.

  7. Effect of initial ion positions on the interactions of monovalent and divalent ions with a DNA duplex as revealed with atomistic molecular dynamics simulations.

    Science.gov (United States)

    Robbins, Timothy J; Wang, Yongmei

    2013-01-01

    Monovalent (Na(+)) and divalent (Mg(2+)) ion distributions around the Dickerson-Drew dodecamer were studied by atomistic molecular dynamics (MD) simulations with AMBER molecular modeling software. Different initial placements of ions were tried and the resulting effects on the ion distributions around DNA were investigated. For monovalent ions, results were found to be nearly independent of initial cation coordinates. However, Mg(2+) ions demonstrated a strong initial coordinate dependent behavior. While some divalent ions initially placed near the DNA formed essentially permanent direct coordination complexes with electronegative DNA atoms, Mg(2+) ions initially placed further away from the duplex formed a full, nonexchanging, octahedral first solvation shell. These fully solvated cations were still capable of binding with DNA with events lasting up to 20 ns, and in comparison were bound much longer than Na(+) ions. Force field parameters were also investigated with modest and little differences arising from ion (ions94 and ions08) and nucleic acid description (ff99, ff99bsc0, and ff10), respectively. Based on known Mg(2+) ion solvation structure, we conclude that in most cases Mg(2+) ions retain their first solvation shell, making only solvent-mediated contacts with DNA duplex. The proper way to simulate Mg(2+) ions around DNA duplex, therefore, should begin with ions placed in the bulk water.

  8. Localization of Fatty Acyl and Double Bond Positions in Phosphatidylcholines Using a Dual Stage CID Fragmentation Coupled with Ion Mobility Mass Spectrometry

    NARCIS (Netherlands)

    Castro-Perez, J.; Roddy, T.P.; Nibbering, N.M.M.; Shah, V.; McLaren, D.G.; Previs, S.; Attygalle, A.B.; Herath, K.; Chen, Z.; Wang, S.P.; Mitnaul, L.; Hubbard, B.K.; Vreeken, R.J.; Johns, D.G.; Hankemeier, Th.

    2011-01-01

    (+) was not required to obtain double bond positions. Elemental compositions for fragment ions were confirmed by accurate mass measurements. A very specific first generation fragment ion m/z 577 (M-phosphoryl choline) from the PC [16:0/18:1 (9Z)] was produced, which by further CID generated acylium

  9. Discharge Characteristics of Large-Area High-Power RF Ion Source for Positive and Negative Neutral Beam Injectors

    Science.gov (United States)

    Doo-Hee, Chang; Seung, Ho Jeong; Min, Park; Tae-Seong, Kim; Bong-Ki, Jung; Kwang, Won Lee; Sang Ryul, In

    2016-12-01

    A large-area high-power radio-frequency (RF) driven ion source was developed for positive and negative neutral beam injectors at the Korea Atomic Energy Research Institute (KAERI). The RF ion source consists of a driver region, including a helical antenna and a discharge chamber, and an expansion region. RF power can be transferred at up to 10 kW with a fixed frequency of 2 MHz through an optimized RF matching system. An actively water-cooled Faraday shield is located inside the driver region of the ion source for the stable and steady-state operations of high-power RF discharge. Plasma ignition of the ion source is initiated by the injection of argon-gas without a starter-filament heating, and the argon-gas is then slowly exchanged by the injection of hydrogen-gas to produce pure hydrogen plasmas. The uniformities of the plasma parameter, such as a plasma density and an electron temperature, are measured at the lowest area of the driver region using two RF-compensated electrostatic probes along the direction of the short-and long-dimensions of the driver region. The plasma parameters will be compared with those obtained at the lowest area of the expansion bucket to analyze the plasma expansion properties from the driver region to the expansion region. supported by the Ministry of Science, ICT and Future Planning of the Republic of Korea under the ITER Technology R&D Program, and National R&D Program Through the National Research Foundation of Korea (NRF) Funded by the Ministry of Science, ICT & Future Planning (NRF-2014M1A7A1A03045372)

  10. Long-term observations of positive cluster ion concentration, sources and sinks at the high altitude site of the Puy de Dôme

    Science.gov (United States)

    Rose, C.; Boulon, J.; Hervo, M.; Holmgren, H.; Asmi, E.; Ramonet, M.; Laj, P.; Sellegri, K.

    2013-06-01

    Cluster particles (0.8-1.9 nm) are key entities involved in nucleation and new particle formation processes in the atmosphere. Cluster ions were characterized in clear sky conditions at the Puy de Dôme station (1465 m a.s.l). The studied dataset spread over five years (February 2007-February 2012), which provided a unique chance to catch seasonal variations of cluster ion properties at high altitude. Statistical values of the cluster ion concentration and diameter are reported for both positive and negative polarities. Cluster ions were found to be ubiquitous at the Puy de Dôme and displayed an annual variation with lower concentrations in spring. Positive cluster ions were less numerous than negative ones but were larger in diameters. Negative cluster ion properties seemed insensitive to the occurrence of a new particle formation (NPF) event while positive cluster ions appeared to be significantly more numerous and larger on event days. The parameters of the balance equation for the positive cluster concentration are reported, separately for the different seasons and for the NPF event days and non-event days. The steady state assumption suggests that the ionization rate is balanced with two sinks which are the ion recombination and the attachment on aerosol particles, referred as "aerosol ion sink". The aerosol ion sink was found to be higher during the warm season and dominated the loss of ions. The positive ionization rates derived from the balance equation were well correlated with the ionization rates obtained from radon measurement, and they were on average higher in summer and fall compared to winter and spring. Neither the aerosol ion sink nor the ionization rate were found to be significantly different on event days compared to non-event days, and thus they were not able to explain the different positive cluster concentrations between event and non-event days. Hence, the excess of positive small ions on event days may derive from an additional source of

  11. FAD semiquinone stability regulates single- and two-electron reduction of quinones by Anabaena PCC7119 ferredoxin:NADP+ reductase and its Glu301Ala mutant.

    Science.gov (United States)

    Anusevicius, Zilvinas; Miseviciene, Lina; Medina, Milagros; Martinez-Julvez, Marta; Gomez-Moreno, Carlos; Cenas, Narimantas

    2005-05-15

    Flavoenzymes may reduce quinones in a single-electron, mixed single- and two-electron, and two-electron way. The mechanisms of two-electron reduction of quinones are insufficiently understood. To get an insight into the role of flavin semiquinone stability in the regulation of single- vs. two-electron reduction of quinones, we studied the reactions of wild type Anabaena ferredoxin:NADP(+)reductase (FNR) with 48% FAD semiquinone (FADH*) stabilized at the equilibrium (pH 7.0), and its Glu301Ala mutant (8% FADH* at the equilibrium). We found that Glu301Ala substitution does not change the quinone substrate specificity of FNR. However, it confers the mixed single- and two-electron mechanism of quinone reduction (50% single-electron flux), whereas the wild type FNR reduces quinones in a single-electron way. During the oxidation of fully reduced wild type FNR by tetramethyl-1,4-benzoquinone, the first electron transfer (formation of FADH*) is about 40 times faster than the second one (oxidation of FADH*). In contrast, the first and second electron transfer proceeded at similar rates in Glu301Ala FNR. Thus, the change in the quinone reduction mechanism may be explained by the relative increase in the rate of second electron transfer. This enabled us to propose the unified scheme of single-, two- and mixed single- and two-electron reduction of quinones by flavoenzymes with the central role of the stability of flavin/quinone ion-radical pair.

  12. Effect of inorganic positive ions on the adsorption of surfactant Triton X-100 at quartz/solution interface

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    The electrode-separated piezoelectric sensor (ESPS), an improved setup of quartz crystal microbalance (QCM), has been employed to investigate the adsorption behavior of nonionic surfactant Triton X-100 at the hydrophilic quartz-solution interface in mineralized water medium in situ, which contained CaCl2 0.01 mol·L?1, MgCl2 0.01 mol·L?1, NaCl 0.35 mol·L?1. In a large scale of surfactant concentration, the effects of Ca2+, Mg2+ and Na+ on the adsorption isotherm and kinetics are obviously different. In aque-ous solution containing NaCl only, adsorption of Triton X-100 on quartz-solution interface is promoted, both adsorption rate and adsorption amount increase. While in mineralized water medium, multivalent positive ions Ca2+ and Mg2+ are firmly adsorbed on quartz-solution interface, result in the increasing of adsorption rate and adsorption amount at low concentration of surfactant and the peculiar desorption of surfactant at high concentration of Triton X-100. The results got by solution depletion method are in good agreement with which obtained by ESPS. The "bridge" and "separate" effect of inorganic positive ions on the adsorption and desorption mechanism of Triton X-100 at the quartz- solution interface is discussed with molecular dynamics simulations (MD), flame atomic absorption spectrometry (FAAS) and atomic force microscopy (AFM) methods.

  13. S-matrix theory of two-electron momentum distribution produced by double ionization in intense laser fields.

    Science.gov (United States)

    Becker, A; Faisal, F

    2001-03-26

    Recently observed momentum distribution of doubly charged recoil-ions of atoms produced by femtosecond infrared laser pulses is analyzed using the so-called intense-field many-body S-matrix theory. Observed characteristics of the momentum distributions, parallel and perpendicular to the polarization axis, are reproduced by the theory. It is shown that correlated energy-sharing between the two electrons in the intermediate state and their 'Volkov-dressing' in the final state, can explain the origin of these characteristics.

  14. Lithium ion battery cells under abusive discharge conditions: Electrode potential development and interactions between positive and negative electrode

    Science.gov (United States)

    Kasnatscheew, Johannes; Börner, Markus; Streipert, Benjamin; Meister, Paul; Wagner, Ralf; Cekic Laskovic, Isidora; Winter, Martin

    2017-09-01

    Increasing specific energy of lithium ion battery cells (LIBs) and their cycle life requires deeper understanding of complex processes taking place during the cell operation. This work focuses on the electrode potential development and the interactions between negative and positive electrode in a quasi LIB full cell by applying over-discharge conditions. By analysis of the potential profiles, a characteristic potential plateau at ≈ 3.56 V vs. Li/Li+ was detected at the graphite negative electrode, which can be assigned to the Cu oxidation process of the negative electrode current collector. Also at the positive electrode, a time shifted potential plateau was observed, which could be attributed to a competitive reaction between conventional discharge (lithiation) and parasitic Cu reduction (plating) on the positive electrode surface. The proposed mechanism involving the presence of elemental Cu on the positive electrode surface was confirmed by SEM-EDX mapping experiments. The relevance of Cu dissolution and deposition as well as possible solution approaches are discussed.

  15. Electron impact single ionization of mono- and di-positive ions

    Indian Academy of Sciences (India)

    M Alfaz Uddin; A K F Haque; M S Mahbub; K R Karim; A K Basak

    2006-06-01

    The electron impact ionization cross-sections of mono- and di-positive ionic targets are calculated using a second version of the modified binary-encounter-dipole (MBED) model, previously reported [M A Uddin et al, J. Phys. B37, 1909 (2004)]. The present version differs from the previous one in the scale factor of the Burgess denominator and is applicable to targets with charges = 1 and 2. The MBED in the present form is found to work well for 11 ionic targets ranging from Be+ to K+ and complements its previous version valid for targets with > 2.

  16. Localization of fatty acyl and double bond positions in phosphatidylcholines using a dual stage CID fragmentation coupled with ion mobility mass spectrometry.

    Science.gov (United States)

    Castro-Perez, Jose; Roddy, Thomas P; Nibbering, Nico M M; Shah, Vinit; McLaren, David G; Previs, Stephen; Attygalle, Athula B; Herath, Kithsiri; Chen, Zhu; Wang, Sheng-Ping; Mitnaul, Lyndon; Hubbard, Brian K; Vreeken, Rob J; Johns, Douglas G; Hankemeier, Thomas

    2011-09-01

    A high content molecular fragmentation for the analysis of phosphatidylcholines (PC) was achieved utilizing a two-stage [trap (first generation fragmentation) and transfer (second generation fragmentation)] collision-induced dissociation (CID) in combination with travelling-wave ion mobility spectrometry (TWIMS). The novel aspects of this work reside in the fact that a TWIMS arrangement was used to obtain a high level structural information including location of fatty acyl substituents and double bonds for PCs in plasma, and the presence of alkali metal adduct ions such as [M + Li](+) was not required to obtain double bond positions. Elemental compositions for fragment ions were confirmed by accurate mass measurements. A very specific first generation fragment ion m/z 577 (M-phosphoryl choline) from the PC [16:0/18:1 (9Z)] was produced, which by further CID generated acylium ions containing either the fatty acyl 16:0 (C(15)H(31)CO(+), m/z 239) or 18:1 (9Z) (C(17)H(33)CO(+), m/z 265) substituent. Subsequent water loss from these acylium ions was key in producing hydrocarbon fragment ions mainly from the α-proximal position of the carbonyl group such as the hydrocarbon ion m/z 67 (+H(2)C-HC = CH-CH = CH(2)). Formation of these ions was of important significance for determining double bonds in the fatty acyl chains. In addition to this, and with the aid of (13)C labeled lyso-phosphatidylcholine (LPC) 18:1 (9Z) in the ω-position (methyl) TAP fragmentation produced the ion at m/z 57. And was proven to be derived from the α-proximal (carboxylate) or distant ω-position (methyl) in the LPC.

  17. Metal Foam as Positive Electrode Current Collector for LiFePO4-Based Li-Ion Battery

    Science.gov (United States)

    Yang, Gui Fu; Song, Jae Sun; Kim, Hyung Yoon; Joo, Seung Ki

    2013-10-01

    In order to improve the kinetic performance of LiFePO4-based Li-ion batteries, three dimensional metal foams were used as positive current collector. In the case of conventional Ni foam, the organic electrolyte of the cell was decomposed with the ionization of Ni during charge and discharge. The low tolerance of Ni was solved by using NiCrAl foam which was manufactured by alloying NiCrAl powder with Ni foam. From the electrochemical analysis, it shows that the kinetic performance of the cell by using a three dimensional NiCrAl foam was much superior to that in the case of conventional foil type.

  18. Pulsed laser positive ion desorption from a model hydrated inorganic crystal (CaHPO 4·2H 2O) at 248 nm

    Science.gov (United States)

    Dawes, M. L.; Langford, S. C.; Dickinson, J. T.

    1998-05-01

    We examine the laser-induced positive ion emission of a typical, wide band gap, hydrated inorganic single crystal, CaHPO 4·2H 2O (brushite), at 248 nm (KrF excimer) in vacuum. As-grown brushite is quite resistant to laser damage and yields little ion emission at fluences below 1 J/cm 2. In the presence of surface damage by abrasion or heating-induced transformations, intense laser-induced ion emission appears at lower fluences. The ion energy and fluence dependence are consistent with a defect mediated, multiple photon emission mechanism. In particular, the transport of hydrated Ca + to the surface, followed by adsorption at anion defects (and removal of water by evaporation), can provide an ideal environment for ion emission. The implications with regard to the UV laser ablation of hydrated environmental and biological minerals are discussed.

  19. Alkylphosphate-based nonflammable gel electrolyte for LiMn 2O 4 positive electrode in lithium-ion battery

    Science.gov (United States)

    Yoshimoto, Nobuko; Gotoh, Daisuke; Egashira, Minato; Morita, Masayuki

    Polymeric gel containing alkylphosphate has been examined as nonflammable gel electrolyte for LiMn 2O 4 positive electrode of lithium-ion battery (LIB). The gel was composed of a polymer matrix of poly(vinylidenefluoride- co-hexafluoropropylene) (PVdF-HFP) and a liquid component consisting of ternary solvent of trimethyl phosphate (TMP) mixed with ethylene carbonate (EC) and diethyl carbonate (DEC) that dissolves lithium salt (LiPF 6 or LiBF 4). The gel composition of 0.8 M (mol dm -3) LiX (X = PF 6 and BF 4) dissolved in EC + DEC + TMP (55:25:20) with PVdF-HFP showed excellent nonflammable characteristics and high ionic conductivity of ca. 3.1 mS cm -1 at room temperature (20 °C). The charge-discharge cycling test of LiMn 2O 4 positive electrode gave good reversibility with high capacitance in the gel electrolyte. With respect to the electrolyte salt, LiBF 4 was better than LiPF 6 due to its thermal stability during the gel preparation.

  20. Exposure to positively- and negatively-charged plasma cluster ions impairs IgE-binding capacity of indoor cat and fungal allergens

    OpenAIRE

    NISHIKAWA, Kazuo; Fujimura, Takashi; Ota, Yasuhiro; Abe, Takuya; ElRamlawy, Kareem Gamal; Nakano, Miyako; Takado, Tomoaki; Uenishi, Akira; Kawazoe, Hidechika; Sekoguchi, Yoshinori; Tanaka, Akihiko; Ono, Kazuhisa; Kawamoto, Seiji

    2016-01-01

    Background Environmental control to reduce the amount of allergens in a living place is thought to be important to avoid sensitization to airborne allergens. However, efficacy of environmental control on inactivation of airborne allergens is not fully investigated. We have previously reported that positively- and negatively-charged plasma cluster ions (PC-ions) reduce the IgE-binding capacity of crude allergens from Japanese cedar pollen as important seasonal airborne allergens. Cat (Felis do...

  1. Real-time electron dynamics simulation of two-electron transfer reactions induced by nuclear motion

    Science.gov (United States)

    Suzuki, Yasumitsu; Yamashita, Koichi

    2012-04-01

    Real-time electron dynamics of two-electron transfer reactions induced by nuclear motion is calculated by three methods: the numerically exact propagation method, the time-dependent Hartree (TDH) method and the Ehrenfest method. We find that, as long as the nuclei move as localized wave packets, the TDH and Ehrenfest methods can reproduce the exact electron dynamics of a simple charge transfer reaction model containing two electrons qualitatively well, even when nonadiabatic transitions between adiabatic states occur. In particular, both methods can reproduce the cases where a complete two-electron transfer reaction occurs and those where it does not occur.

  2. Effect of heat treatment on UV-laser-induced positive ion desorption in CaHPO4.2H2O

    Science.gov (United States)

    Kawaguchi, Y.; Dawes, M. L.; Langford, S. C.; Dickinson, J. T.

    We have investigated KrF excimer-laser-induced positive ion desorption from single-crystal brushite (CaHPO4.2H2O), a model biomineral containing water, and we show the effect of heat treatment on ion desorption. Time-of-flight peaks of Ca+ desorption from the heated-cleaved surface are similar to those from as-cleaved ones, but the ion intensity is 2 to 4 orders of magnitude larger. In addition to Ca+, desorption of CaO+, PO+, and P+ from the heated surface is also strongly enhanced. The heated-cleaved surface shows rough, platelet-like fine structures due to recrystallization. Surface defects created during recrystallization strongly couple with the 5 eV photons and dramatically enhance ion desorption.

  3. Coulomb Repulsion Effect in Two-electron Non-adiabatic Tunneling through a One-level redox Molecule

    DEFF Research Database (Denmark)

    Medvedev, Igor M.; Kuznetsov, Alexander M.; Ulstrup, Jens

    2009-01-01

    is representative of electrochemical scanning tunneling microscopy or a pair of electrochemical nanoscale electrodes. The two-electron transfer molecular system also represents redox molecules with three electrochemically accessible oxidation states, rather than only two states such as comprehensively studied...... conductance/bias voltage correlation can have up to four peaks even for a single-level redox molecule. The peak position, height, and width are determined by the oxidized and reduced states of both the ionization and affinity levels of the molecule and depend crucially on the Debye screening of the electric...

  4. Two-electron R-matrix approach to calculations of potential-energy curves of long-range Rydberg molecules

    Science.gov (United States)

    Tarana, Michal; Čurík, Roman

    2016-05-01

    We introduce a computational method developed for study of long-range molecular Rydberg states of such systems that can be approximated by two electrons in a model potential of the atomic cores. The method is based on a two-electron R-matrix approach inside a sphere centered on one of the atoms. The wave function is then connected to a Coulomb region outside the sphere via a multichannel version of the Coulomb Green's function. This approach is applied to a study of Rydberg states of Rb2 for internuclear separations R from 40 to 320 bohrs and energies corresponding to n from 7 to 30. We report bound states associated with the low-lying 3Po resonance and with the virtual state of the rubidium atom that turn into ion-pair-like bound states in the Coulomb potential of the atomic Rydberg core. The results are compared with previous calculations based on single-electron models employing a zero-range contact-potential and short-range modele potential. Czech Science Foundation (Project No. P208/14-15989P).

  5. Theoretical study of the bonding of the first- and second-row transition-metal positive ions to acetylene

    Science.gov (United States)

    Sodupe, M.; Bauschlicher, Charles W., Jr.

    1991-01-01

    The bonding of transition-metal ions to acetylene is studied by using a theoretical treatment that includes electron correlation. The ions on the left side of the first and second transition rows insert into the pi bond to form a three-membered ring. On the right side of the row the bonding is electrostatic. The trends in bonding are discussed.

  6. Modern methods for calculations of photoionization and electron impact ionization of two-electron atoms and molecules

    CERN Document Server

    Serov, Vladislav V; Sergeeva, Tatiana A; Vinitsky, Sergue I

    2012-01-01

    A review of some recently developed methods of calculating multiple differential cross-sections of photoionization and electron impactionization of atoms and molecules having two active electrons is presented. The methods imply original approaches to calculating three-particle Coulomb wave functions. The external complex scaling method and the formalism of the Schroedinger equation with a source in the right-hand side are considered. Efficiency of the time-dependent approaches to the scattering problem, such as the paraxial approximation and the time-dependent scaling, is demonstrated. An original numerical method elaborated by the authors for solving the 6D Schroedinger equation for an atom with two active electrons, based on the Chang-Fano transformation and the discrete variable representation, is formulated. Basing on numerical simulations, the threshold behavior of angular distributions of two-electron photoionization of the negative hydrogen ion and helium atom, and multiple differential cross-sections ...

  7. Interstitial positions of tin ions in alpha-(FerichSn)(2)O-3 solid solutions prepared by mechanical alloying

    DEFF Research Database (Denmark)

    Jiang, Jianzhong; Lin, Rong; Nielsen, Kurt

    1997-01-01

    The microstructure of samples of 91, 85, and 71 mol % alpha-Fe-2-O-3-SnO2. prepared by mechanical alloying, has been studied by x-ray diffraction with Rietveld structure refinements, On the basis of the structure refinements to the whole x-ray diffraction patterns for the four as-milled samples......, it is found that tin ions do not substitute iron ions in the solid solution, although this model is generally assumed in the literature. The Sn4+ ions occupy the empty octahedral holes in the lattice of the alpha-Fe2O3 phase....

  8. Electron stimulated desorption of positive and negative oxygen ions from YBa{sub 2}Cu{sub 3}O{sub 7} surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Hoffman, A. [Technion-Israel Inst. of Tech., Haifa (Israel). Solid State Inst.; Moss, S.D.; Paterson, P.J.K. [Royal Melbourne Inst. of Tech., VIC (Australia); McCubbery, D. [La Trobe Univ., Bundoora, VIC (Australia); Petravic, M. [Australian National Univ., Canberra, ACT (Australia)

    1996-12-31

    The electron stimulated desorption (ESD) of positive and negative oxygen ion from superconducting YBa{sub 2}Cu{sub 3}O{sub 7} surfaces was studied. Based on ion desorption yield measurements as function of electron kinetic energy, primary excitations leading to positive and negative oxygen ion desorption are suggested. To the best of the authors` knowledge this is the first study on electron energy dependent ESD from YBa{sub 2}Cu{sub 3}O{sub 7} surfaces. The YBa{sub 2}Cu{sub 3}O{sub 7} samples were prepared from BaCO{sub 3}, Y{sub 2}O{sub 3} and CuO using standard high temperature sintering and annealing procedures. Slices 2 mm thick were cut and further annealed at 400 C in flowing oxygen for 24 hours prior to insertion into the ultrahigh vacuum (UHV) chamber for ESD. The near surface composition and chemical state of the annealed sample after exposure to air was examined by Auger and XPS analysis. These measurements suggest that the ESD experiments were performed on samples of similar near surface and bulk composition with some OH- chemisorbed groups and Cl surface contaminations and that negative and positive oxygen ion desorption may be initiated via a primary core level ionization. 10 refs., 3 figs.

  9. SU-E-T-758: To Determine the Source Dwell Positions of HDR Brachytherapy Using 2D 729 Ion Chamber Array

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Syam [Malabar Cancer Centre, Kannur, Kerala (India); Sitha [University of Calicut, Calicut, Kerala (India)

    2015-06-15

    Purpose: Determination of source dwell positions of HDR brachytherapy using 2D 729 ion chamber array Methods: Nucletron microselectron HDR and PTW 2D array were used for the study. Different dwell positions were assigned in the HDR machine. Rigid interstitial needles and vaginal applicator were positioned on the 2D array. The 2D array was exposed for this programmed dwell positions. The positional accuracy of the source was analyzed after the irradiation of the 2D array. This was repeated for different dwell positions. Different test plans were transferred from the Oncentra planning system and irradiated with the same applicator position on the 2D array. The results were analyzed using the in house developed excel program. Results: Assigned dwell positions versus corresponding detector response were analyzed. The results show very good agreement with the film measurements. No significant variation found between the planned and measured dwell positions. Average dose response with 2D array between the planned and nearby dwell positions was found to be 0.0804 Gy for vaginal cylinder applicator and 0.1234 Gy for interstitial rigid needles. Standard deviation between the doses for all the measured dwell positions for interstitial rigid needle for 1 cm spaced positions were found to be 0.33 and 0.37 for 2cm spaced dwell positions. For intracavitory vaginal applicator this was found to be 0.21 for 1 cm spaced dwell positions and 0.06 for 2cm spaced dwell positions. Intracavitory test plans reproduced on the 2D array with the same applicator positions shows the ideal dose distribution with the TPS planned. Conclusion: 2D array is a good tool for determining the dwell position of HDR brachytherapy. With the in-house developed program in excel it is easy and accurate. The traditional way with film analysis can be replaced by this method, as the films will be more costly.

  10. ATLAS proton-proton event containing two electrons and two muons

    CERN Multimedia

    ATLAS Collaboration

    2011-01-01

    An event with two identified muons and two identified electrons from a proton- proton collision in ATLAS. This event is consistent with coming from two Z particles decaying: one Z decays to two muons, the other to two electrons. Such events are produced by Standard Model processes without Higgs particles. They are also a possible signature for Higgs particle production, but many events must be analysed together in order to tell if there is a Higgs signal. The two muons are picked out as red tracks penetrating right through the detector. The two electrons are picked out as green tracks in the central, inner detector, matching narrow green clusters of energy in the barrel part of the calorimeters. The inset at the bottom right shows a map of the energy seen in the detector: the two big yellow spikes correspond to the two electrons.

  11. Study of two-electron jumps in relaxation of Coulomb glasses

    Energy Technology Data Exchange (ETDEWEB)

    Bergli, J. [Department of Physics, University of Oslo, Blindern (Norway); Somoza, A.M.; Ortuno, M. [Departamento de Fisica - CIOyN, Universidad de Murcia (Spain)

    2009-12-15

    A long-standing debate in the theory of hopping insulators concerns the role of multi-electron transitions in the dynamics of the system. The natural assumption is that as temperature is lowered, two-electron transitions will play an increasingly important role since they provide a way of tunneling through additional energy barriers which would be energetically unfavorable as successive one-electron transitions. This was disputed in[1], but later it was seen in[2]. The reason for this discrepancy is not clear and deserves further attention. One point where the two approaches diverged was in the selection and weighting of the two-electron transitions relative to one-electron transitions. We present calculations of the transition rates to second order in the tunneling matrix element, which will be used in improved numerical studies. We compare results for only one-electron jumps with results including also two-electron jumps. (Abstract Copyright [2009], Wiley Periodicals, Inc.)

  12. Benchmark values for molecular two-electron integrals arising from the Dirac equation

    Science.gov (United States)

    Baǧcı, A.; Hoggan, P. E.

    2015-02-01

    The two-center two-electron Coulomb and hybrid integrals arising in relativistic and nonrelativistic ab initio calculations on molecules are evaluated. Compact, arbitrarily accurate expressions are obtained. They are expressed through molecular auxiliary functions and evaluated with the numerical Global-adaptive method for arbitrary values of parameters in the noninteger Slater-type orbitals. Highly accurate benchmark values are presented for these integrals. The convergence properties of new molecular auxiliary functions are investigated. The comparison for two-center two-electron integrals is made with results obtained from single center expansions by translation of the wave function to a single center with integer principal quantum numbers and results obtained from the Cuba numerical integration algorithm, respectively. The procedures discussed in this work are capable of yielding highly accurate two-center two-electron integrals for all ranges of orbital parameters.

  13. Benchmark values for molecular two-electron integrals arising from the Dirac equation.

    Science.gov (United States)

    Bağcı, A; Hoggan, P E

    2015-02-01

    The two-center two-electron Coulomb and hybrid integrals arising in relativistic and nonrelativistic ab initio calculations on molecules are evaluated. Compact, arbitrarily accurate expressions are obtained. They are expressed through molecular auxiliary functions and evaluated with the numerical Global-adaptive method for arbitrary values of parameters in the noninteger Slater-type orbitals. Highly accurate benchmark values are presented for these integrals. The convergence properties of new molecular auxiliary functions are investigated. The comparison for two-center two-electron integrals is made with results obtained from single center expansions by translation of the wave function to a single center with integer principal quantum numbers and results obtained from the Cuba numerical integration algorithm, respectively. The procedures discussed in this work are capable of yielding highly accurate two-center two-electron integrals for all ranges of orbital parameters.

  14. Role of Interactions in Electronic Structure of a Two-Electron Quantum Dot Molecule

    Institute of Scientific and Technical Information of China (English)

    DONG Qing-Rui; XU Ying-Qiang; ZHANG Shi-Yong; NIU Zhi-Chuan

    2004-01-01

    @@ We have studied a two-electron quantum dot molecule in a magnetic field. The electron interaction is treated accurately by the direct diagonalization of the Hamiltonian matrix. We calculate two lowest energy levels of the two-electron quantum dot molecule in a magnetic field. Our results show that the electron interactions are significant, as they can change the total spin of the two-electron ground state of the system by adjusting the magnetic field between S = 0 and S = 1. The energy difference △E between the lowest S = 0 and S = 1 states is shown as a function of the axial magnetic field. We found that the energy difference between the lowest S = 0 and S = 1 states in the strong-B S = 0 state varies linearly. Our results provide a possible realization for a qubit to be fabricated by current growth techniques.

  15. On the risk of false positive identification using multiple ion monitoring in qualitative mass spectrometry: large-scale intercomparisons with a comprehensive mass spectral library.

    Science.gov (United States)

    Stein, Stephen E; Heller, David N

    2006-06-01

    Analysts involved in qualitative mass spectrometry have long debated the minimum data requirements for demonstrating that signals from an unknown sample are identical to those from a known compound. Often this process is carried out by comparing a few selected ions acquired by multiple ion monitoring (MIM), with due allowance for expected variability in response. In a few past experiments with electron-ionization mass spectrometry (EI-MS), the number of ions selected and the allowable variability in relative abundance were tested by comparing one spectrum against a library of mass spectra, where library spectra served to represent potential false positive signals in an analysis. We extended these experiments by carrying out large-scale intercomparisons between thousands of spectra and a library of one hundred thousand EI mass spectra. The results were analyzed to gain insights into the identification confidence associated with various numbers of selected ions. A new parameter was investigated for the first time, to take into account that a library spectrum with a different base peak than the search spectrum may still cause a false positive identification. The influence of peak correlation among the specific ions in all the library mass spectra was also studied. Our computations showed that (1) false positive identifications can result from similar compounds, or low-abundance peaks in unrelated compounds if the method calls for detection at very low levels; (2) a MIM method's identification confidence improves in a roughly continuous manner as more ions are monitored, about one order of magnitude for each additional ion selected; (3) full scan spectra still represent the best alternative, if instrument sensitivity is adequate. The use of large scale intercomparisons with a comprehensive library is the only way to provide direct evidence in support of these conclusions, which otherwise depend on the judgment and experience of individual analysts. There are

  16. Thermodynamic model for electron emission and negative- and positive-ion formation in keV molecular collisions

    CERN Document Server

    Juhász, Zoltán

    2016-01-01

    A statistical-type model is developed to describe the ion production and electron emission in collisions of (molecular) ions with atoms. The model is based on the Boltzmann population of the bound electronic energy levels of the quasi molecule formed in the collision and the discretized continuum. The discretization of the continuum is implemented by a free electron gas in a box model assuming an effective square potential of the quasi molecule. The temperature of the electron gas is calculated by taking into account a thermodynamically adiabatic process due to the change of the effective volume of the quasi molecule as the system evolves. The system may undergo a transition with a small probability from the discretized continuum to the states of the complementary continuum. It is assumed that these states are decoupled from the thermodynamic time development. The decoupled states overwhelmingly determine the yield of the asymptotically observed fragment ions. The main motivation of this work is to describe t...

  17. Spectroscopic Studies of a Water-soluble Derivative of Hypocrellin A and Its One- and Two-Electron Reduction Products

    Institute of Scientific and Technical Information of China (English)

    胡义镇; 安静仪; 蒋丽金

    1994-01-01

    In this study the spectroscopic characteristics of a water-soluble derivative of hypocrellin A (HA), 14-dehydroxy-15-deacetyl-hypocrellin A-13-sulfonate(13-SO3Na-DDHA),and its one- and two-electron reduction products have been investigated. From the changes in absorbance with pH it was observed that the two phenolic hydroxy groups at C-3 and C-10 positions of 13-SO3Na-DDHA or HA dissociated stepwise with increase of pH values. The pKa values for 13-SO3Na-DDHA and HA were determined using an effective method established in this study. Attempts were also made to use absorption and ESR spectroscopies to study the photoreduction of 13-SO3Na-DDHA. It was found that 13-SO3Na-DDHA was directly reduced to its two-electron reduction product in buffered aqueous solution (pH 7. 7). However, in DMF-buffer (1 :1/ v : v,pH 7. 7), it proceeded with one-electron reduction to generate its semiquinone radical anions. The semiquinone radical anions decayed according to second-order kinetics. indicating that the terminatio

  18. Quantum ballistic transport by interacting two-electron states in quasi-one-dimensional channels

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Danhong [Air Force Research Laboratory, Space Vehicles Directorate, Kirtland Air Force Base, New Mexico 87117 (United States); Center for High Technology Materials, University of New Mexico, 1313 Goddard St SE, Albuquerque, New Mexico 87106 (United States); Gumbs, Godfrey [Center for High Technology Materials, University of New Mexico, 1313 Goddard St SE, Albuquerque, New Mexico 87106 (United States); Abranyos, Yonatan [Department of Physics and Astronomy, Hunter College of the City University of New York, 695 Park Avenue, New York, New York 10065 (United States); Pepper, Michael; Kumar, Sanjeev [Department of Electronic and Electrical Engineering, University College London, London, WC1E 7JE (United Kingdom); London Centre for Nanotechnology, 17-19 Gordon Street, London, WC1H 0AH (United Kingdom)

    2015-11-15

    For quantum ballistic transport of electrons through a short conduction channel, the role of Coulomb interaction may significantly modify the energy levels of two-electron states at low temperatures as the channel becomes wide. In this regime, the Coulomb effect on the two-electron states is calculated and found to lead to four split energy levels, including two anticrossing-level and two crossing-level states. Moreover, due to the interplay of anticrossing and crossing effects, our calculations reveal that the ground two-electron state will switch from one anticrossing state (strong confinement) to a crossing state (intermediate confinement) as the channel width gradually increases and then back to the original anticrossing state (weak confinement) as the channel width becomes larger than a threshold value. This switching behavior leaves a footprint in the ballistic conductance as well as in the diffusion thermoelectric power of electrons. Such a switching is related to the triple spin degeneracy as well as to the Coulomb repulsion in the central region of the channel, which separates two electrons away and pushes them to different channel edges. The conductance reoccurrence region expands from the weak to the intermediate confinement regime with increasing electron density.

  19. Relaxation and Dephasing in a Two-Electron 13C Nanotube Double Quantum Dot

    DEFF Research Database (Denmark)

    Churchill, H O H; Kuemmeth, Ferdinand; Harlow, J W;

    2009-01-01

    We use charge sensing of Pauli blockade (including spin and isospin) in a two-electron 13C nanotube double quantum dot to measure relaxation and dephasing times. The relaxation time T1 first decreases with a parallel magnetic field and then goes through a minimum in a field of 1.4 T. We attribute...

  20. Observation and spectroscopy of a two-electron Wigner molecule in an ultraclean carbon nanotube

    DEFF Research Database (Denmark)

    Pecker, S.; Kuemmeth, Ferdinand; Secchi, A.;

    2013-01-01

    Two electrons on a string form a simple model system where Coulomb interactions are expected to play an interesting role. In the presence of strong interactions, these electrons are predicted to form a Wigner molecule, separating to the ends of the string. This spatial structure is believed...

  1. Calculation of differential cross section for dielectronic recombination with two-electron uranium

    CERN Document Server

    Lyashchenko, Konstantin N

    2016-01-01

    Calculation of the differential cross section for the dielectronic recombination with two-electron uranium within the framework of QED is presented. The polarization of the emitted photon is investigated. The contributions of the Breit interaction and the interference of the photon multipoles are studied.

  2. Dimensionality effect on two-electron energy spectrum: A fractional-dimension-based formulation

    Energy Technology Data Exchange (ETDEWEB)

    Correa, R.; Gutiérrez, W.; Mikhailov, I. [Escuela de Física, Universidad Industrial de Santander, A.A. 678, Bucaramanga (Colombia); Fulla, M.R. [Escuela de Física, Universidad Nacional de Colombia, A.A. 3840, Medellín (Colombia); Marín, J.H., E-mail: jhmarin@unal.edu.co [Escuela de Física, Universidad Nacional de Colombia, A.A. 3840, Medellín (Colombia)

    2015-07-17

    We analyze the spectrum of two-electron quantum dot with anisotropic parabolic confinement by using the fractional-dimension formulation which allows us to reduce the two-particle problem to two equations for independent particles in an effective space with variable dimension, ranging between two and three for ellipsoidal-shaped quantum dots and between one and two for elliptical-shaped quantum disks. The dependencies of energy levels on the heterostructure sizes for quantum dots, disks and wires are presented. - Highlights: • We report the two-electron eigenenergies in a quantum dot with anisotropic parabolic confinement. • Our model is versatile enough to consider changes in the dimension space from 3 to 2 and 2 to 1. • The two-electron structure is calculated in integer and fractional dimensional spaces. • The two-electron energy structure is sensitive to the quantum dot size and morphology changes. • The electron–electron Coulomb interaction is strongly dependent on the space dimensionality.

  3. Modified Korteweg-de Vries solitons at supercritical densities in two-electron temperature plasmas

    CERN Document Server

    Verheest, Frank; Hereman, Willy A

    2016-01-01

    The supercritical composition of a plasma model with cold positive ions in the presence of a two-temperature electron population is investigated, initially by a reductive perturbation approach, under the combined requirements that there be neither quadratic nor cubic nonlinearities in the evolution equation. This leads to a unique choice for the set of compositional parameters and a modified Korteweg-de Vries equation (mKdV) with a quartic nonlinear term. The conclusions about its one-soliton solution and integrability will also be valid for more complicated plasma compositions. Only three polynomial conservation laws can be obtained. The mKdV equation with quartic nonlinearity is not completely integrable, thus precluding the existence of multi-soliton solutions. Next, the full Sagdeev pseudopotential method has been applied and this allows for a detailed comparison with the reductive perturbation results. This comparison shows that the mKdV solitons have slightly larger amplitudes and widths than those obta...

  4. Slowly moving test charge in two-electron component non-Maxwellian plasma

    Energy Technology Data Exchange (ETDEWEB)

    Ali, S. [National Centre for Physics (NCP), Quaid-e-Azam University Campus, Shahdra Valley Road, Islamabad 44000 (Pakistan); Eliasson, B. [SUPA, Physics Department, University of Strathclyde, Glasgow G4 0NG, Scotland (United Kingdom)

    2015-08-15

    Potential distributions around a slowly moving test charge are calculated by taking into account the electron-acoustic waves in an unmagnetized plasma. Considering a neutralizing background of static positive ions, the supra-thermal hot and cold electrons are described by the Vlasov equations to account for the Kappa (power-law in velocity space) and Maxwell equilibrium distributions. Fourier analysis further leads to the derivation of electrostatic potential showing the impact of supra-thermal hot electrons. The test charge moves slowly in comparison with the hot and cold electron thermal speeds and is therefore shielded by the electrons. This gives rise to a short-range Debye-Hückel potential decaying exponentially with distance and to a far field potential decaying as inverse third power of the distance from the test charge. The results are relevant for both laboratory and space plasmas, where supra-thermal hot electrons with power-law distributions have been observed.

  5. Slowly moving test charge in two-electron component non-Maxwellian plasma

    Science.gov (United States)

    Ali, S.; Eliasson, B.

    2015-08-01

    Potential distributions around a slowly moving test charge are calculated by taking into account the electron-acoustic waves in an unmagnetized plasma. Considering a neutralizing background of static positive ions, the supra-thermal hot and cold electrons are described by the Vlasov equations to account for the Kappa (power-law in velocity space) and Maxwell equilibrium distributions. Fourier analysis further leads to the derivation of electrostatic potential showing the impact of supra-thermal hot electrons. The test charge moves slowly in comparison with the hot and cold electron thermal speeds and is therefore shielded by the electrons. This gives rise to a short-range Debye-Hückel potential decaying exponentially with distance and to a far field potential decaying as inverse third power of the distance from the test charge. The results are relevant for both laboratory and space plasmas, where supra-thermal hot electrons with power-law distributions have been observed.

  6. FY1995 study on the low energy reaction of Si surface with halogen atoms and positive and negative ions; 1995 nendo harogen genshi, sei/fu ion to Si hyomen hanno no teisonshoka kenkyu

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-03-01

    For the damageless fabrication of nanometer-electronics devices, low energy and damage-free surface reactions have been investigated as follows. (1) Negative ion etching of silicon has been investigated in SF{sub 6} and Cl{sub 2} plasma. (2) To establish the self-limiting reaction process which is necessary to realize the atomically layer-by-layer etching, the initial reaction of fluorine (F) atoms and F{sub 2} molecules with hydrogen (H)-terminated Si (111) has been studied. In both SF{sub 6} and Cl{sub 2} plasma etching, the etching reactivity of negative ions was proved to be higher than those of positive ions, since negative ions are atomical like the radical. A notch-free etching of n+ poly-silicon with 0.3{mu}m L and S pattern was successfully obtained by an alternative irradiation of positive and negative ions in SF{sub 6} plasma. For SiO{sub 2} and other oxide etching with negative ions the high rate was observed but not with high selectivity. Negative ion-assisted Si oxidation was found to be one order faster than radical and thermal oxidations. Based on the ATR and XPS measurements, F atom/H-terminated Si(111) surface reaction has been revealed. First F radicals penetrates just underneath of the Si-H bond, generating the B{sub 2} peak. Further exposure appear the B{sub 3} peak which arises from the bonding of a F atom with a Si-H bond at the five-coordination state. However, more exposure of F atoms caused higher order SiF{sub x}(x=l,2,3) products. Hence, F{sub 2} gas which was less reactive than F atoms was investigated. It was found out that the exposure of 5 % F{sub 2}/He to H-terminated Si (111) reached a plateau value at 5{sub x}10{sup 5} L where terminated H atoms quite disappeared. The SiF monolayer corresponded exactly to an atomic layer of Si(111) was formed. This indicates that the self-limiting process for the Si/F system has been realized first. (NEDO)

  7. Ionization cross-sections for the production of positive ions from H2O by electron impact

    Science.gov (United States)

    Rao, M. V. V. S.; Iga, I.; Srivastava, S. K.

    1995-01-01

    Water is present in the atmospheres of 6 of the 9 planets. Cross section values for the direct and partial ionization of H2O by electron impact have been measured and compared with previously published data. The present measurements have been carried out from thresholds to 1 KeV by utilizing a crossed electron beam and molecular beam collision geometry and an improved ion extraction technique.

  8. Unusual odd-electron fragments from even-electron protonated prodiginine precursors using positive-ion electrospray tandem mass spectrometry.

    Science.gov (United States)

    Chen, Kan; Rannulu, Nalaka S; Cai, Yang; Lane, Pat; Liebl, Andrea L; Rees, Bernard B; Corre, Christophe; Challis, Gregory L; Cole, Richard B

    2008-12-01

    Reports of anticancer and immunosuppressive properties have spurred recent interest in the bacterially produced prodiginines. We use electrospray tandem mass spectrometry (ES-MS/MS) to investigate prodigiosin, undecylprodiginine, and streptorubin B (butyl-meta-cycloheptylprodiginine) and to explore their fragmentation pathways to explain the unusual methyl radical loss and consecutive fragment ions that dominate low-energy collision-induced dissociation (CID) mass spectra. The competition between the formation of even-electron ions and radical ions is examined in detail. Theoretical calculations are used to optimize the structures and calculate the energies of both reactants and products using the Gaussian 03 program. Results indicate that protonation occurs on the nitrogen atom that initially held no hydrogen, thus allowing formation of a pseudo-seven-membered ring that constitutes the most stable ground state [M + H](+) structure. From this precursor, experimental data show that methyl radical loss has the lowest apparent threshold but, alternatively, even-electron fragment ions can be formed by loss of a methanol molecule. Computational modeling indicates that methyl radical loss is the more endothermic process in this competition, but the lower apparent threshold associated with methyl radical loss points to a lower kinetic barrier. Additionally, this characteristic and unusual loss of methyl radical (in combination with weaker methanol loss) from each prodiginine is useful for performing constant neutral loss scans to quickly and efficiently identify all prodiginines in a complex biological mixture without any clean-up or purification. The feasibility of this approach has been proven through the identification of a new, low-abundance prodigiosin analog arising from Hahella chejuensis.

  9. Hydrothermal synthesis of LiMn2O4 onto carbon fiber paper current collector for binder free lithium-ion battery positive electrodes

    Science.gov (United States)

    Waller, Gordon Henry; Lai, Samson Yuxiu; Rainwater, Ben Harris; Liu, Meilin

    2014-04-01

    Concerns over the safety and high cost of lithium ion batteries, especially those containing cobalt-based active materials, limit their use to applications where energy density requirements cannot be met by any other materials. Manganese-spinel based positive electrode materials represent a promising candidate for lithium ion batteries because of their lower cost, lower toxicity, and greater resistance to thermal runaway than cobalt-based active materials. Although LiMn2O4 has a well-known issue of capacity fading, investigations into nanostructured composites composed of surface modified spinel phases have demonstrated outstanding performance, suggesting that LiMn2O4 has potential to be a viable positive electrode for safe, inexpensive, high power, and long lifetime lithium-ion batteries. Here we report a low-temperature hydrothermal process for growth of conformal coatings of highly crystalline LiMn2O4 directly onto a carbon fiber current collector, completely eliminating the process steps and materials associated with the conventional tape casting approach (binders, solvents, and metal foils). The prepared electrodes tested at a rate of 1 C showed an initial discharge capacity of 125 mAh g-1 and an average energy efficiency of 92.4% over 100 cycles.

  10. Inelastic collisions of positrons with positive ions: A coupled-static treatment with an application to e +-Be + and e +-Mg + scattering

    Science.gov (United States)

    Abdel-Raouf, Mohamed Assad

    1988-07-01

    The inelastic collisions of positrons with positive ions are treated for the first time within the framework of the coupled-static and frozen-core approximations. The method is used for calculating partial and total cross sections of the inelastic scattering of positrons by beryllium and magnesium positive ions with the assumption that only two channels (the elastic and rearrangement ones), are opened. The calculations are carried out, in each case, for eight values of the total angular momentum l(0⩽ l⩽7), at 29 values of the incident energy lying above the positronium formation thresholds (i.e. above 11.32 eV in e +-Be + scattering and above 7.923 eV in e +-Mg + scattering). In both cases the effect of "switching on" the polarisation potential of the positroniums on their coupled-static cross sections is investigated. Although the resulting positronium formation cross sections are smaller than the elastic ones, their large values should draw the attention of experimental and theoretical physicists to the field of positron-ion collisions.

  11. The 4-pyridylmethyl ester as a protecting group for glutamic and aspartic acids: 'flipping' peptide charge states for characterization by positive ion mode ESI-MS.

    Science.gov (United States)

    Garapati, Sriramya; Burns, Colin S

    2014-03-01

    Use of the 4-pyridylmethyl ester group for side-chain protection of glutamic acid residues in solid-phase peptide synthesis enables switching of the charge state of a peptide from negative to positive, thus making detection by positive ion mode ESI-MS possible. The pyridylmethyl ester moiety is readily removed from peptides in high yield by hydrogenation. Combining the 4-pyridylmethyl ester protecting group with benzyl ester protection reduces the number of the former needed to produce a net positive charge and allows for purification by RP HPLC. This protecting group is useful in the synthesis of highly acidic peptide sequences, which are often beset by problems with purification by standard RP HPLC and characterization by ESI-MS.

  12. Highly accurate wavefunctions for two-electron systems using two parameteres

    CERN Document Server

    Chauhan, Rabeet Singh

    2015-01-01

    It is shown for two electron atoms that ground-state wavefunctions of the form $\\Psi(\\vec{r_{1}}, \\vec{r_{2}})=\\phi(\\vec{r_{1}})\\phi(\\vec{r_{2}})(\\cosh ar_{1}+\\cosh ar_{2})(1+0.5 r_{12}e^{-b r_{12}})$ where $\\vec{r_{1}}$ and $\\vec{r_{2}}$ are the coordinates of two electrons and $r_{12}=|\\vec{r_{1}}-\\vec{r_{2}}|$, can be made highly accurate by optimizing $a$, $b$ and $\\phi$. This is done by solving a variationally derived equation for $\\phi$ for a given $a$ and $b$ and finding $a$ and $b$ so that the expectation value of the Hamiltonian is minimum. For the set $\\{a, b, \\phi\\}$ the values for various quantities obtained from the above wavefunction are compared with those given by $204$-parameter wavefunction of Koga et al. and are found to be matching quite accurately(within ppm) with them.

  13. Electron Bifurcation: Thermodynamics and Kinetics of Two-Electron Brokering in Biological Redox Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    King, Paul W [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Lubner, Carolyn E [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Mulder, David W [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Zhang, Peng [Duke University; Yuly, Jonathon [Duke University; Peters, John W. [Washington State University; Beratan, David N. [Duke University

    2017-09-06

    How can proteins drive two electrons from a redox active donor onto two acceptors at very different potentials and distances? And how can this transaction be conducted without dissipating very much energy or violating the laws of thermodynamics? Nature appears to have addressed these challenges by coupling thermodynamically uphill and downhill electron transfer reactions, using two-electron donor cofactors that have very different potentials for the removal of the first and second electron. Although electron bifurcation is carried out with near perfection from the standpoint of energy conservation and electron delivery yields, it is a biological energy transduction paradigm that has only come into focus recently. This Account provides an exegesis of the biophysical principles that underpin electron bifurcation.

  14. Coulomb barrier and exchange interaction in dynamical two-electron systems

    Science.gov (United States)

    Gregoire, Maxwell; Lougovski, Pavel; Batelaan, Herman

    2012-06-01

    Recent electron sources can produce pulses containing multiple electrons that are confined both laterally and longitudinally. Given that the highest reported degeneracy for continuous sources of free electrons is about 10-4, it would be interesting to know the degeneracy for these pulsed sources. We previously studied one-dimensional two-electron degeneracy [1], and we now study three-dimensional two-electron degeneracy as a function of time. Our primary goal is to use this project as a necessary step to studying three-dimensional n-electron degeneracy. Our second goal is to develop a theory that predicts the outcome of Hasselbach's experiment demonstrating the Hanbury Brown-Twiss Effect [2] for free electrons.[4pt] [1] Lougovski P, and Batelaan H, Phys. Rev. A 84, 023417 (2011).[0pt] [2] Kiesel H, Renz A, and Hasselbach F, Nature. 418, 392-4 (2002).

  15. A compact terahertz free-electron laser with two gratings driven by two electron-beams

    Science.gov (United States)

    Liu, Weihao; Lu, Yalin; Wang, Lin; Jia, Qika

    2017-02-01

    We proposed and investigated a novel terahertz free-electron laser, which is based on two gratings driven by two electron-beams. Two gratings are symmetrically arranged to form an open-cavity. Two electron-beams generate special Smith-Purcell radiations, respectively, from two gratings. When radiation interferes constructively, operation modes of the open-cavity are excited and then amplified by beam-wave interactions. By means of particle-in-cell simulations, we have shown that, with compact equipments and available electron-beams, this scheme can generate radiation with power and efficiency being higher than those of majority radiation sources in the vicinity region of 1 THz. It can promisingly be developed as a high-power, high-efficiency, and compact terahertz source for practice.

  16. Fourier transform technique in variational treatment of two-electron parabolic quantum dot

    Institute of Scientific and Technical Information of China (English)

    S.(S)akiro(g)lu; A.Yildiz; (U).Dogan; K.Akgüng(o)r; H.Epik; Y.Ergün; H.Sarl; I.S(o)kmen

    2009-01-01

    In this work,we propose an efficient method of reducing the computational effort of variational calculation with a Hylleraas-like trial wavefunction.The method consists of introducing integral transforms for the terms as r12k exp (-λr12)which provide the calculation of the expectation value of energy and the relevant matrix elements to be done analytically over single-electron coordinates instead of Hylleraas coordinates.We have used this method to calculate the ground state energy of a two-electron system in a spherical dot and a disk-like quantum dot separately.Under parabolic confinement potential and within effective mass approximation size and shape effects of quantum dots on the ground state energy of two electrons have been investigated.The calculation shows that our results even with a small number of basis states axe in good agreement with previous theoretical results.

  17. The structure of approximate two electron wavefunctions in intense laser driven ionization dynamics

    CERN Document Server

    Sato, Takeshi

    2014-01-01

    The structure of approximate two electron wavefunction is deeply investigated, both theoretically and numerically, in the strong-field driven ionization dynamics. Theoretical analyses clarify that for two electron singlet systems, the previously proposed time-dependent extended Hartree-Fock (TD-EHF) method [Phys. Rev. A 51, 3999 (1995)] is equivalent to the multiconfiguration time-dependent Hartree-Fock method with two occupied orbitals. The latter wavefunction is further transformed into the natural expansion form, enabling the direct propagation of the natural orbitals (NOs). These methods, as well as the conventional time-dependent Hartree-Fock (TDHF) method, are numerically assessed for the description of ionization dynamics of one-dimensional helium atom model. This numerical analysis (i) explains the reason behind the well-known failure of TDHF method to describe tunneling ionization, (ii) demonstrates the interpretive power of the TD-EHF wavefunction both in the original nonorthogonal and the NO-based ...

  18. Computation of energy states of hydrogenic quantum dot with two-electrons

    Science.gov (United States)

    Yakar, Y.; Özmen, A.; ćakır, B.

    2016-03-01

    In this study we have investigated the electronic structure of the hydrogenic quantum dot with two electrons inside an impenetrable potential surface. The energy eigenvalues and wavefunctions of the ground and excited states of spherical quantum dot have been calculated by using the Quantum Genetic Algorithm (QGA) and Hartree-Fock Roothaan (HFR) method, and the energies are investigated as a function of dot radius. The results show that as dot radius increases, the energy of quantum dot decreases.

  19. Quantum Size Effects on Two Electrons and Two Holes in Double-Layer Quantum Dots

    Institute of Scientific and Technical Information of China (English)

    XIE Wen-Fang; ZHU Wu

    2002-01-01

    We propose a procedure to solve exactly the Schrodinger equation for a system of two electrons and two holes in a double-layer quantum dot by using the method of few-body physics. The features of the low-lying spectra have been deduced based on symmetry. The binding energies of the ground state are obtained as a function of the electron-to-hole mass ratio σ for a few values of the quantum dot size.

  20. Two-Electron Energy Spectrum in a Parabolic Quantum Dot Under a Magnetic Field

    Institute of Scientific and Technical Information of China (English)

    XIE Wen-Fang

    2003-01-01

    Two interacting electrons in a harmonic oscillator potential under the influence of a perpendicular homo-geneous magnetic field are considered. The energies of two-electron quantum dots with the electron-LO-phonon couplingas a function of magnetic field are calculated. Calculations are made by using the method of few-body physics withinthe effective-mass approximation. Our results show that the electron-LO-phonon coupling effect is very important insemiconductor quantum dots.

  1. Peak position differences observed during XPS sputter depth profiling of the SEI on lithiated and delithiated carbon-based anode material for Li-ion batteries

    Science.gov (United States)

    Oswald, S.; Hoffmann, M.; Zier, M.

    2017-04-01

    The ability of delivering chemical information from peak shift phenomena has ever since made X-ray photoelectron spectroscopy (XPS) an ideal tool for material characterization in Li-ion batteries (LIB). Upon investigation, charging is inevitable as most of the chemical species involved are non-conducting. Thus, the binding energy (BE) scale must be corrected to allow an accurate interpretation of the results. This is usually done using the peak position of the ubiquitous surface carbon contamination detectable for all Li-ion battery relevant materials. We herein report on the occurrence of peak shift phenomena that can be observed when investigating surface layers on graphite anodes using sputter depth-profiling. These shifts, however, are not related to classical static electric charging, but are depending on the state of charge (lithiation) of the anode material. The observations presented are in agreement with previous findings on other Li-containing materials and are obviously caused by the presence of Li in its elemental state. As aging and failure mechanisms in LIBs are closely linked to electrolyte reaction products on electrode surfaces it is of high importance to draw the correct conclusions on their chemical origin from XP spectra. In order to avoid misinterpretation of the BE positions, implanted Ar can be used for identification of relevant peak positions and species involved in the phenomena observed.

  2. Pairing and unpairing electron densities in organic systems: Two-electron three center through space and through bonds interactions

    Energy Technology Data Exchange (ETDEWEB)

    Lobayan, Rosana M., E-mail: rmlb@exa.unne.edu.ar [Departamento de Física, Facultad de Ciencias Exactas, Naturales y Agrimensura, Universidad Nacional del Nordeste, 3400, Corrientes (Argentina); Bochicchio, Roberto C., E-mail: rboc@df.uba.ar [Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, and IFIBA, CONICET, Ciudad Universitaria, 1428, Buenos Aires (Argentina)

    2014-05-07

    Two-electron three-center bonding interactions in organic ions like methonium (CH{sub 5}{sup +}), ethonium (C{sub 2}H{sub 7}{sup +}), and protonated alkanes n−C{sub 4}H{sub 11}{sup +} isomers (butonium cations) are described and characterized within the theoretical framework of the topological analysis of the electron density decomposition into its effectively paired and unpaired contributions. These interactions manifest in some of this type of systems as a concentration of unpaired electron cloud around the bond paths, in contrast to the well known paradigmatic boron hydrids in which it is not only concentrated close to the atomic nucleus and the bond paths but out of them and over the region defined by the involved atoms as a whole. This result permits to propose an attempt of classification for these interactions based in such manifestations. In the first type, it is called as interactions through bonds and in the second type as interactions through space type.

  3. Development of a system for monitoring the shape, position, and intensity of the extracted relativistic ion beam at the Nuclotron-M accelerator complex at JINR

    Science.gov (United States)

    Vasilev, S. E.; Vishnevskiy, A. V.; Kadykov, M. G.; Makankin, A. M.; Tyutyunnikov, S. I.; Shurygin, A. A.

    2014-11-01

    Test samples of detectors and electronics for them constructed for the purpose of monitoring the "intense" relativistic ion beams extracted from the accelerator of the Nuclotron-M accelerator complex in real time are described. The system was tested in a series of acceleration runs with deuteron beams with an intensity of up to 1010 1/s and beams of carbon nuclei. The system allows one to perform multiple measurements of the two-dimensional distribution of the beam intensity in the plane perpendicular to it and the beam position in this plane during the beam dump and measure the two-dimensional distribution of the target irradiation dose after each beam dump.

  4. G-SIMS-FPM: Molecular structure at surfaces—a combined positive and negative secondary ion study

    Science.gov (United States)

    Gilmore, I. S.; Green, F. M.; Seah, M. P.

    2006-07-01

    G-SIMS is an easy to use method that considerably simplifies complex static SIMS spectra. The G-SIMS peaks relate directly to the parent molecular structure and so provide a library independent method for direct interpretation and identification. For larger molecules (>100 u) the mass alone may be insufficient to identify the molecule unambiguously. A development of G-SIMS, G-SIMS-fragmentation pathway mapping (FPM), solves this problem. G-SIMS-FPM allows the molecular structure to be re-assembled by following fragmentation pathways as the G-SIMS surface plasma temperature is varied. In this study, we develop the inclusion of negative secondary ion fragmentation data to provide a more complete analysis. This approach is exampled with data for complex molecules of Irganox 1010 and folic acid.

  5. Frustrated double and single ionization in a two-electron triatomic molecule H$^+_3$

    CERN Document Server

    Chen, A; Price, H; Emmanouilidou, A

    2016-01-01

    Using a semi-classical model, we study the formation of highly excited neutral fragments during the fragmentation of $\\mathrm{H_3^+}$, a two-electron triatomic molecule, driven by an intense near-IR laser field. To do so, we first formulate a microcanonical distribution for arbitrary one-electron triatomic molecules. We then study frustrated double and single ionization in strongly-driven $\\mathrm{H_3^+}$ and compute the kinetic energy release of the nuclei for these two processes. Moreover, we investigate the dependence of frustrated ionization on the strength of the laser field as well as on the geometry of the initial molecular state.

  6. Analytic derivatives for the Cholesky representation of the two-electron integrals.

    Science.gov (United States)

    Aquilante, Francesco; Lindh, Roland; Pedersen, Thomas Bondo

    2008-07-21

    We propose a formalism for calculating analytic derivatives of the electronic energy with respect to nuclear coordinates using Cholesky decomposition of the two-electron integrals. The formalism is derived by exploiting the equivalence of Cholesky decomposition and density fitting when a suitable auxiliary basis set is used for expanding atomic orbital product densities in the latter. An implementation of gradients at the nonhybrid density functional theory level is presented, and sample calculations demonstrate that the errors in equilibrium geometries due to the Cholesky representation of the integrals can be controlled by adjusting the decomposition threshold.

  7. Effect of Coulomb Interaction on Dynamical Localization in a Two-Electron Quantum-Dot Molecule

    Institute of Scientific and Technical Information of China (English)

    WANG Li-Min; DUAN Su-Qing; ZHAO Xian-Geng; LIU Cheng-Shi

    2004-01-01

    The combined interaction of Coulomb interaction and ac fields with two electrons in a quantum dot molecule is studied respectively with numerical simulation, perturbation theory and the approximation of driven two-level model. The dynamical localization occurs with the ac field whose ratio of the amplitude to the angular frequency is a root of n-order Bessel functions, where n is determined by the Coulomb interaction energy. Such results are explained with either the driven two-level approximation or the degenerated three-level model and verified by the numerical simulations.

  8. t-SURFF: Fully Differential Two-Electron Photo-Emission Spectra

    CERN Document Server

    Scrinzi, Armin

    2012-01-01

    The time dependent surface flux (t-SURFF) method is extended to single and double ionization of two electron systems. Fully differential double emission spectra by strong pulses at extreme UV and infrared wave length are calculated using simulation volumes that only accommodate the effective range of the atomic binding potential and the quiver radius of free electrons in the external field. For a model system we find pronounced dependence of shake-up and non-sequential double ionization on phase and duration of the laser pulse. Extension to fully three-dimensional calculations is discussed.

  9. Theory of Square-Wave Voltammetry of Two-Electron Reduction with the Adsorption of Intermediate

    Directory of Open Access Journals (Sweden)

    Milivoj Lovric

    2012-01-01

    Full Text Available Thermodynamically unstable intermediate of fast and reversible two-electron electrode reaction can be stabilized by the adsorption to the electrode surface. In square-wave voltammetry of this reaction mechanism, the split response may appear if the electrode surface is not completely covered by the adsorbed intermediate. The dependence of the difference between the net peak potentials of the prepeak and postpeak on the square-wave frequency is analyzed theoretically. This relationship can be used for the estimation of adsorption constant.

  10. Dynamic Localization Condition of Two Electrons in a Strong dc-ac Biased Quantum Dot Molecule

    Institute of Scientific and Technical Information of China (English)

    WANG Li-Min; DUAN Su-Qing; ZHAO Xian-Geng; LIU Cheng-Shi

    2004-01-01

    @@ We present a perturbation investigation of dynamic localization condition of two electrons in a strong dc-ac biased quantum dot molecule. By reducing the system to an Hubbard-type effective two-site model and by applying Floquet theory, we find that the dynamical localization phenomenon occurs under certain values of the large strength of the dc and ac field. This demonstrates the possibility of using appropriate dc-ac fields to manipulate dynamical localized states in mesoscopic devices, which is an essential component of practical schemes for quantum information processing. Our conclusion is instructive to the field of quantum function devices.

  11. Two-electron Oxidation of a Twisted Non Anti-aromatic 40π Expanded Isophlorin

    Indian Academy of Sciences (India)

    PRACHI GUPTA; SANTOSH P PANCHAL; VENKATARAMANARAO G ANAND

    2016-11-01

    Expanded isophlorins are typical examples for stable anti-aromatic systems. Paratropic ring current effects are observed in their NMR spectra mainly due to their planar conformation. Herein we report the synthesis of the first twisted 40π expanded isophlorin and also its two-electron oxidation to a 38π dication. It sustains the twisted conformation for the 4nπ and (4n+2)π electrons. Due to the non-planar conformation, they do not display ring current effects in their respective 1H NMR spectrum. NICS calculations reveal the non-(anti)aromatic features for the neutral 40π and the 38π dication species.

  12. Relaxation and Dephasing in a Two-Electron 13C Nanotube Double Quantum Dot

    DEFF Research Database (Denmark)

    Churchill, H O H; Kuemmeth, Ferdinand; Harlow, J W

    2009-01-01

    We use charge sensing of Pauli blockade (including spin and isospin) in a two-electron 13C nanotube double quantum dot to measure relaxation and dephasing times. The relaxation time T1 first decreases with a parallel magnetic field and then goes through a minimum in a field of 1.4 T. We attribute...... both results to the spin-orbit-modified electronic spectrum of carbon nanotubes, which at high field enhances relaxation due to bending-mode phonons. The inhomogeneous dephasing time T2* is consistent with previous data on hyperfine coupling strength in 13C nanotubes....

  13. 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 .

  14. Evaluation of lithium ion cells with titanate negative electrodes and iron phosphate positive electrode for start-stop applications

    Science.gov (United States)

    Wang, John S.; Liu, Ping; Soukiazian, Souren; Tataria, Harshad; Dontigny, Martin; Guerfi, Abdelbast; Zaghib, Karim; Verbrugge, Mark W.

    2014-06-01

    Start-stop systems require the battery to provide high power, endure shallow cycling, and exhibit long cycle life. The LFP/LTO (lithium iron phosphate/lithium titanate) battery is a potential candidate to meet such requirements because, at room temperature, both materials can be operated at high rate and have good stability (calendar and cycle life). In this work, we have investigated the feasibility of using LixFePO4/Li4+3yTi5O12 (0 < x < 1, 0 < y < 1) lithium ion batteries for start-stop systems. We evaluate both the rate and temperature dependence of LFP/LTO cells subjected to galvanostatic charge/discharge cycling. Excellent rate performance was observed at temperatures above or at ambient. However, at low temperatures, significant resistance is observed, and this must be addressed for the LFP/LTO system to be viable. In addition, we investigate the SOC dependence of equivalent circuit parameters using triangular current and voltage excitation method to facilitate the implementation of circuit-based control algorithms for vehicle applications. Parameter values are nearly constant over the broad voltage-plateau region of the substantially two-phase behavior of both the LFP and LTO materials.

  15. Li2CuVO4: A high capacity positive electrode material for Li-ion batteries

    Science.gov (United States)

    Ben Yahia, Hamdi; Shikano, Masahiro; Yamaguchi, Yoichi

    2016-07-01

    The new compound Li2CuVO4 was synthesized by a solid state reaction route, and its crystal structure was determined from single crystal X-ray diffraction data. Li2CuVO4 was characterized by galvanometric cycling, cycle voltammetry, and electrochemical impedance spectroscopy. The structure of Li2CuVO4 is isotypic to Pmn21-Li3VO4. It can be described as a disordered wurtzite structure with rows of Li1/Cu1 atoms alternating with rows of (Li2/Cu2)-V-(Li2/Cu2) atoms along [100]. All cations are tetrahedrally coordinated. The lithium and copper atoms are statistically disordered over two crystallographic sites. The electrochemical cycling between 2.0 and 4.7 V indicates that almost two lithium atoms could be extracted and re-intercalated. This delivers a maximum discharge capacity of 257 mA h g-1 at a C/50 rate (theoretical capacity = 139 mA h g-1 for one lithium). Li2CuVO4 shows also high rate capability with a capacity of 175 mA h g-1 at 1C rate. This demonstrates that Cu-based compounds can be very interesting as electrodes for Li-ion batteries if Cu-dissolution is avoided.

  16. Hard X-ray polarimetry with position sensitve germanium detectors. Studies of the recombination transitions into highly charged ions

    Energy Technology Data Exchange (ETDEWEB)

    Tashenov, Stanislav

    2005-07-01

    In this work a first study of the photon polarization for the process of radiative recombination has been performed. This was done at the ESR storage ring at GSI for uranium ions colliding with N2 at various collision energies. For this measurement a high purity Ge Pixel Detector with a 4 x 4 segmentation matrix was applied. The investigation was performed at the Gas-jet target of the ESR. The detector was placed at 60 and 90 observation angles. The sensitivity of the Compton scattering effect to the linear polarization of the X-Ray radiation was employed for the polarization measurement. Detailed investigations of the scattering and geometrical effects inside the detector were performed in order to develop a method to interpret the experimental data and extract the degree of the linear polarization in the hard X-Ray regime with a high precision. A special emphasis was given to the geometry of the detector and it's influence on the measured pixel-to-pixel Compton scattering intensities. The developed method enabled to achieve a precision of the order of 10% with the Pixel Detector which is dominated by the statistical uncertainties. The obtained results show a good agreement with the theoretical values derived from the exact relativistic calculations. For the case of the linear polarization of the K-REC photons, the measured data con rm the theoretical prediction that strong depolarization effects occur for high projectile charges in the forward hemisphere. The latter is in disagreement with the nonrelativistic theory which predicts a 100 % polarization regardless of the emission angle. (orig.)

  17. Excitation energies with time-dependent density matrix functional theory: Singlet two-electron systems.

    Science.gov (United States)

    Giesbertz, K J H; Pernal, K; Gritsenko, O V; Baerends, E J

    2009-03-21

    Time-dependent density functional theory in its current adiabatic implementations exhibits three striking failures: (a) Totally wrong behavior of the excited state surface along a bond-breaking coordinate, (b) lack of doubly excited configurations, affecting again excited state surfaces, and (c) much too low charge transfer excitation energies. We address these problems with time-dependent density matrix functional theory (TDDMFT). For two-electron systems the exact exchange-correlation functional is known in DMFT, hence exact response equations can be formulated. This affords a study of the performance of TDDMFT in the TDDFT failure cases mentioned (which are all strikingly exhibited by prototype two-electron systems such as dissociating H(2) and HeH(+)). At the same time, adiabatic approximations, which will eventually be necessary, can be tested without being obscured by approximations in the functional. We find the following: (a) In the fully nonadiabatic (omega-dependent, exact) formulation of linear response TDDMFT, it can be shown that linear response (LR)-TDDMFT is able to provide exact excitation energies, in particular, the first order (linear response) formulation does not prohibit the correct representation of doubly excited states; (b) within previously formulated simple adiabatic approximations the bonding-to-antibonding excited state surface as well as charge transfer excitations are described without problems, but not the double excitations; (c) an adiabatic approximation is formulated in which also the double excitations are fully accounted for.

  18. Simulation of molecular Auger spectra using a two-electron Dyson propagator

    Energy Technology Data Exchange (ETDEWEB)

    Hori, Y.; Nishida, M.; Lim, F.H.; Ida, T., E-mail: ida@se.kanazawa-u.ac.jp; Mizuno, M.

    2016-02-15

    Highlights: • Auger electron spectra (AES) simulation using a new two-electron Dyson propagator. • Double ionization potentials can be accurately and efficiently computed. • The proposal method is useful for belonging peaks in AES of molecule. - Abstract: In order to simulate Auger electron spectra (AES), we propose the use of the two-electron Dyson propagator with the shifted denominator approximation (SD2). The double ionization potentials (DIPs) of molecules calculated using the SD2 method have shown good agreement with experimental data. This method can be used to calculate each DIP separately, and reducing the matrix dimensionality into that of only a two-hole configurations. We carried out AES simulations of water (H{sub 2}O), ethylene (C{sub 2}H{sub 4}), and formaldehyde (H{sub 2}CO) molecules and compared with the observed spectra. Furthermore Auger line shapes of glycine and hydrated glycine molecules were simulated, it found out that the peaks of nitrogen K-LL Auger were broadened due to hydration. From these results, we conclude that the SD2 method is very useful for the calculation of DIPs to investigate the properties of a double ionized molecule.

  19. Two-electron electrochemical oxidation of quercetin and kaempferol changes only the flavonoid C-ring

    DEFF Research Database (Denmark)

    Jørgensen, Lars; Cornett, Claus; Justesen, Ulla

    1998-01-01

    Bulk electrolysis of the antioxidant flavonoids quercetin and kaempferol in acetonitrile both yield a single oxidation product in two-electron processes. The oxidation products are more polar than their parent compounds, with an increased molecular weight of 16g/mol, and were identified as 2......-(3,4-dihydroxybenzoyl)-2,4,6-trihydroxy-3 (2H)-benzofuranone and 2-(4-hydroxybenzoyl)-2,4,6-trihydroxy-3(2H)-benzofuranone for quercetin and kaempferol, respectively. Two-electron oxidation of the parent flavonoid is suggested to yield a 3,4-flavandione with unchanged substitution pattern in the A- and B-ring, which...... may rearrange to form the substituted 3(2H)-benzofuranone through the chalcan-trione ring-chain tautomer. The acidity of the 3-OH group is suggested to determine the fate of the flavonoid phenoxyl radical originally formed by one-electron oxidation, as no well-defined oxidation product of luteolin...

  20. Observation of coherent population trapping in a V-type two-electron system

    CERN Document Server

    Singh, Alok K

    2015-01-01

    We observe coherent population trapping (CPT) in a two-electron atom---$^{174}$Yb---using the $\\rm {^1S_0,F=0} \\rightarrow {^3P_1,F'=1}$ transition. CPT is not possible for such a transition according to one-electron theory because the magnetic sublevels form a V-type system, but in a two-electron atom like Yb, the interaction of the electrons transforms the level structure into a $ \\Lambda $-type system, which allows the formation of a dark state and hence the observation of CPT. Since the two levels involved are degenerate, we use a magnetic field to lift the degeneracy. The single fluorescence dip then splits into five dips---the central unshifted one corresponds to coherent population oscillation, while the outer four are due to CPT. The linewidth of the CPT resonance is about 300 kHz and is limited by the natural linewidth of the excited state, which is to be expected because the excited state is involved in the formation of the dark state.

  1. Quantum Interferometry and Correlated Two-Electron Wave-Packet Observation in Helium

    CERN Document Server

    Ott, Christian; Raith, Philipp; Meyer, Kristina; Laux, Martin; Zhang, Yizhu; Hagstotz, Steffen; Ding, Thomas; Heck, Robert; Pfeifer, Thomas

    2012-01-01

    The concerted motion of two or more bound electrons governs atomic and molecular non-equilibrium processes and chemical reactions. It is thus a long-standing scientific dream to measure the dynamics of two bound correlated electrons in the quantum regime. Quantum wave packets were previously observed for single-active electrons on their natural attosecond timescales. However, at least two active electrons and a nucleus are required to address the quantum three-body problem. This situation is realized in the helium atom, but direct time-resolved observation of two-electron wave-packet motion remained an unaccomplished challenge. Here, we measure a 1.2-femtosecond quantum beating among low-lying doubly-excited states in helium to evidence a correlated two-electron wave packet. Our experimental method combines attosecond transient-absorption spectroscopy at unprecedented high spectral resolution (20 meV near 60 eV) with an intensity-tuneable visible laser field to couple the quantum states from the perturbative ...

  2. Quantum Monte Carlo study of the first-row atoms and ions

    CERN Document Server

    Seth, P; Needs, R J

    2010-01-01

    Quantum Monte Carlo calculations of the first-row atoms Li-Ne and their singly-positively-charged ions are reported. Multi-determinant-Jastrow-backflow trial wave functions are used which recover more than 98% of the correlation energy at the Variational Monte Carlo (VMC) level and more than 99% of the correlation energy at the Diffusion Monte Carlo (DMC) level for both the atoms and ions. We obtain the first ionization potentials to chemical accuracy. We also report scalar relativistic corrections to the energies, mass-polarization terms, and one- and two-electron expectation values.

  3. X-ray absorption near-edge structure study on positive electrodes of degraded lithium-ion battery

    Science.gov (United States)

    Shikano, Masahiro; Kobayashi, Hironori; Koike, Shinji; Sakaebe, Hikari; Saito, Yoshiyasu; Hori, Hironobu; Kageyama, Hiroyuki; Tatsumi, Kuniaki

    18650-type cylindrical cells using LiNi 1/3Mn 1/3Co 1/3O 2 (NMC) and hard carbon as positive and negative electrode material, respectively, were fabricated and degraded by cycle tests. The capacity of the cells remained more than 95% and 85% after cycle tests at 25 and 50 °C, respectively. After the cycle tests, Li-deficient cubic phase was observed on the surface of NMC. This phenomenon should be related to the degradation mechanism of this type of cell.

  4. Functional Contributions of Positive Charges in the Pore-Lining Helix 3 of the Bordetella pertussis CyaA-Hemolysin to Hemolytic Activity and Ion-Channel Opening

    Directory of Open Access Journals (Sweden)

    Chattip Kurehong

    2017-03-01

    Full Text Available The Bordetella pertussis CyaA-hemolysin (CyaA-Hly domain was previously demonstrated to be an important determinant for hemolysis against target erythrocytes and ion-channel formation in planar lipid bilayers (PLBs. Here, net-charge variations in the pore-lining helix of thirteen related RTX cytolysins including CyaA-Hly were revealed by amino acid sequence alignments, reflecting their different degrees of hemolytic activity. To analyze possible functional effects of net-charge alterations on hemolytic activity and channel formation of CyaA-Hly, specific mutations were made at Gln574 or Glu581 in its pore-lining α3 of which both residues are highly conserved Lys in the three highly active RTX cytolysins (i.e., Escherichia coli α-hemolysin, Actinobacillus pleuropneumoniae toxin, and Aggregatibacter actinomycetemcomitans leukotoxin. All six constructed CyaA-Hly mutants that were over-expressed in E. coli as 126 kDa His-tagged soluble proteins were successfully purified via immobilized Ni2+-affinity chromatography. Both positive-charge substitutions (Q574K, Q574R, E581K, E581R and negative-charge elimination (E581Q appeared to increase the kinetics of toxin-induced hemolysis while the substitution with a negatively-charged side-chain (Q574E completely abolished its hemolytic activity. When incorporated into PLBs under symmetrical conditions (1.0 M KCl, pH 7.4, all five mutant toxins with the increased hemolytic activity produced clearly-resolved single channels with higher open probability and longer lifetime than the wild-type toxin, albeit with a half decrease in their maximum conductance. Molecular dynamics simulations for 50 ns of a trimeric CyaA-Hly pore model comprising three α2-loop-α3 transmembrane hairpins revealed a significant role of the positive charge at both target positions in the structural stability and enlarged diameter of the simulated pore. Altogether, our present data have disclosed functional contributions of positively

  5. The unique ion permeability profile of cochlear fibrocytes and its contribution to establishing their positive resting membrane potential.

    Science.gov (United States)

    Yoshida, Takamasa; Nin, Fumiaki; Murakami, Shingo; Ogata, Genki; Uetsuka, Satoru; Choi, Samuel; Nakagawa, Takashi; Inohara, Hidenori; Komune, Shizuo; Kurachi, Yoshihisa; Hibino, Hiroshi

    2016-09-01

    Eukaryotic cells exhibit negative resting membrane potential (RMP) owing to the high K(+) permeability of the plasma membrane and the asymmetric [K(+)] between the extracellular and intracellular compartments. However, cochlear fibrocytes, which comprise the basolateral surface of a multilayer epithelial-like tissue, exhibit a RMP of +5 to +12 mV in vivo. This positive RMP is critical for the formation of an endocochlear potential (EP) of +80 mV in a K(+)-rich extracellular fluid, endolymph. The epithelial-like tissue bathes fibrocytes in a regular extracellular fluid, perilymph, and apically faces the endolymph. The EP, which is essential for hearing, represents the potential difference across the tissue. Using in vivo electrophysiological approaches, we describe a potential mechanism underlying the unusual RMP of guinea pig fibrocytes. The RMP was +9.0 ± 3.7 mV when fibrocytes were exposed to an artificial control perilymph (n = 28 cochleae). Perilymphatic perfusion of a solution containing low [Na(+)] (1 mM) markedly hyperpolarized the RMP to -31.1 ± 11.2 mV (n = 10; p control, Tukey-Kramer test after one-way ANOVA). Accordingly, the EP decreased. Little change in RMP was observed when the cells were treated with a high [K(+)] of 30 mM (+10.4 ± 2.3 mV; n = 7; p = 0.942 versus the control). During the infusion of a low [Cl(-)] solution (2.4 mM), the RMP moderately hyperpolarized to -0.9 ± 3.4 mV (n = 5; p control), although the membranes, if governed by Cl(-) permeability, should be depolarized. These observations imply that the fibrocyte membranes are more permeable to Na(+) than K(+) and Cl(-), and this unique profile and [Na(+)] gradient across the membranes contribute to the positive RMP.

  6. A positive/negative ion-switching, targeted mass spectrometry-based metabolomics platform for bodily fluids, cells, and fresh and fixed tissue.

    Science.gov (United States)

    Yuan, Min; Breitkopf, Susanne B; Yang, Xuemei; Asara, John M

    2012-04-12

    The revival of interest in cancer cell metabolism in recent years has prompted the need for quantitative analytical platforms for studying metabolites from in vivo sources. We implemented a quantitative polar metabolomics profiling platform using selected reaction monitoring with a 5500 QTRAP hybrid triple quadrupole mass spectrometer that covers all major metabolic pathways. The platform uses hydrophilic interaction liquid chromatography with positive/negative ion switching to analyze 258 metabolites (289 Q1/Q3 transitions) from a single 15-min liquid chromatography-mass spectrometry acquisition with a 3-ms dwell time and a 1.55-s duty cycle time. Previous platforms use more than one experiment to profile this number of metabolites from different ionization modes. The platform is compatible with polar metabolites from any biological source, including fresh tissues, cancer cells, bodily fluids and formalin-fixed paraffin-embedded tumor tissue. Relative quantification can be achieved without using internal standards, and integrated peak areas based on total ion current can be used for statistical analyses and pathway analyses across biological sample conditions. The procedure takes ∼12 h from metabolite extraction to peak integration for a data set containing 15 total samples (∼6 h for a single sample).

  7. Molecular structure identification and position of a dopant ion in diaqua(2,2‧-bipyridine)malonatozinc(II) by spectroscopic studies - II: VO(II)

    Science.gov (United States)

    Parthipan, Krishnan; Ramesh, Hema; Sambasiva Rao, P.

    2011-04-01

    Single crystal EPR, optical, FT-IR and powder XRD studies of VO(II) ion doped diaqua(2,2'-bipyridine) malonato zinc complex were carried out at room temperature to ascertain the structural properties. In EPR, the angular variation of vanadium hyperfine lines indicated a single site, with spin Hamiltonian parameters as: g xx = 1.968, g yy = 1.964, g zz = 1.928, A xx = 7.54 mT, A yy = 6.36 mT and A zz = 18.81 mT. In addition, the dopant had entered the lattice in an interstitial position and the position had been identified with the help of atom positions of the host lattice. The EPR and optical data was corroborated to obtain various bonding parameters, from which the nature of the bonding in the complex was discussed. FT-IR and powder XRD studies were used to observe the effect of dopant on structural parameters of the host lattice.

  8. Electronic structure of two-electron quantum dot with parabolic potential

    Science.gov (United States)

    Yakar, Yusuf; Çakır, Bekir; Özmen, Ayhan

    2015-01-01

    In this study, we investigate the parabolic potential effects on the ground and excited energy states of two-electron quantum dot with impurity inside an infinite spherical confining potential well. The wave function and energy eigenvalues were calculated using a modified variational optimization procedure based mainly on quantum genetic algorithm and Hartree-Fock-Roothaan method. The results show that the parabolic potential and impurity charge have a strong effect on the energy states and ionization energies. It is worth pointing out that as impurity charge increases, the ionization energy rises, but the ionization dot radius decreases. On the other hand, as parabolic potential increases, the ionization energy decreases, but the ionization dot radius increases.

  9. Ground State of a Two-Electron Quantum Dot with a Gaussian Confining Potential

    Institute of Scientific and Technical Information of China (English)

    XIE Wen-Fang

    2006-01-01

    We investigate the ground-state properties of a two-dimensional two-electron quantum dot with a Gaussian confining potential under the influence of perpendicular homogeneous magnetic field. Calculations are carried out by using the method of numerical diagonalization of Hamiltonian matrix within the effective-mass approximation. A ground-state behaviour (singlet→triplet state transitions) as a function of the strength of a magnetic field has been found. It is found that the dot radius R of the Gaussian potential is important for the ground-state transition and the feature of ground-state for the Gaussian potential quantum dot (QD), and the parabolic potential QDs are similar when R is larger. The larger the quantum dot radius, the smaller the magnetic field for the singlet-triplet transition of the ground-state of two interacting electrons in the Gaussian quantum dot.

  10. Fast calculation of two-electron-repulsion integrals: a numerical approach

    CERN Document Server

    Lopes, Pedro E M

    2016-01-01

    An alternative methodology to evaluate two-electron-repulsion integrals based on numerical approximation is proposed. Computational chemistry has branched into two major fields with methodologies based on quantum mechanics and classical force fields. However, there are significant shadowy areas not covered by any of the available methods. Many relevant systems are often too big for traditional quantum chemical methods while being chemically too complex for classical force fields. Examples include systems in nanomedicine, studies of metalloproteins, etc. There is an urgent need to develop fast quantum chemical methods able to study large and complex systems. This work is a proof-of-concept on the numerical techniques required to develop accurate and computationally efficient algorithms for the fast calculation of electron-repulsion integrals, one of the most significant bottlenecks in the extension of quantum chemistry to large systems. All concepts and calculations were developed for the three-center integral...

  11. Exact equations of motion for natural orbitals of strongly driven two-electron systems

    CERN Document Server

    Rapp, J; Bauer, D

    2014-01-01

    Natural orbital theory is a computationally useful approach to the few and many-body quantum problem. While natural orbitals are known and applied since many years in electronic structure applications, their potential for time-dependent problems is being investigated only since recently. Correlated two-particle systems are of particular importance because the structure of the two-body reduced density matrix expanded in natural orbitals is known exactly in this case. However, in the time-dependent case the natural orbitals carry time-dependent phases that allow for certain time-dependent gauge transformations of the first kind. Different phase conventions will, in general, lead to different equations of motion for the natural orbitals. A particular phase choice allows us to derive the exact equations of motion for the natural orbitals of any (laser-) driven two-electron system explicitly, i.e., without any dependence on quantities that, in practice, require further approximations. For illustration, we solve th...

  12. Evaluation of commercial lithium-ion cells based on composite positive electrode for plug-in hybrid electric vehicle applications. Part I: Initial characterizations

    Science.gov (United States)

    Dubarry, Matthieu; Truchot, Cyril; Cugnet, Mikaël; Liaw, Bor Yann; Gering, Kevin; Sazhin, Sergiy; Jamison, David; Michelbacher, Christopher

    Evaluating commercial Li-ion batteries presents some unique benefits. One of them is to use cells made from established fabrication process and form factor, such as those offered by the 18650 cylindrical configuration, to provide a common platform to investigate and understand performance deficiency and aging mechanism of target chemistry. Such an approach shall afford us to derive relevant information without influence from processing or form factor variability that may skew our understanding on cell-level issues. A series of 1.9 Ah 18650 lithium ion cells developed by a commercial source using a composite positive electrode comprising {LiMn 1/3Ni 1/3Co 1/3O 2 + LiMn 2O 4} is being used as a platform for the investigation of certain key issues, particularly path-dependent aging and degradation in future plug-in hybrid electric vehicle (PHEV) applications, under the US Department of Energy's Applied Battery Research (ABR) program. Here we report in Part I the initial characterizations of the cell performance and Part II some aspects of cell degradation in 2C cycle aging. The initial characterizations, including cell-to-cell variability, are essential for life cycle performance characterization in the second part of the report when cell-aging phenomena are discussed. Due to the composite nature of the positive electrode, the features (or signature) derived from the incremental capacity (IC) of the cell appear rather complex. In this work, the method to index the observed IC peaks is discussed. Being able to index the IC signature in details is critical for analyzing and identifying degradation mechanism later in the cycle aging study.

  13. Evaluation of commercial lithium-ion cells based on composite positive electrode for plug-in hybrid electric vehicle applications. Part I: Initial characterizations

    Energy Technology Data Exchange (ETDEWEB)

    Matthieu Dubarry; Cyril Truchot; Mikael Cugnet; Bor Yann Liaw; Kevin Gering; Sergiy Sazhin; David Jamison; Christopher Michelbacher

    2011-12-01

    Evaluating commercial Li-ion batteries presents some unique benefits. One of them is to use cells made from established fabrication process and form factor, such as those offered by the 18650 cylindrical configuration, to provide a common platform to investigate and understand performance deficiency and aging mechanism of target chemistry. Such an approach shall afford us to derive relevant information without influence from processing or form factor variability that may skew our understanding on cell-level issues. A series of 1.9 Ah 18650 lithium ion cells developed by a commercial source using a composite positive electrode comprising (LiMn1/3Ni1/3Co1/3O2 + LiMn2O4) is being used as a platform for the investigation of certain key issues, particularly path-dependent aging and degradation in future plug-in hybrid electric vehicle (PHEV) applications, under the US Department of Energy's Applied Battery Research (ABR) program. Here we report in Part I the initial characterizations of the cell performance and Part II some aspects of cell degradation in 2C cycle aging. The initial characterizations, including cell-to-cell variability, are essential for life cycle performance characterization in the second part of the report when cell-aging phenomena are discussed. Due to the composite nature of the positive electrode, the features (or signature) derived from the incremental capacity (IC) of the cell appear rather complex. In this work, the method to index the observed IC peaks is discussed. Being able to index the IC signature in details is critical for analyzing and identifying degradation mechanism later in the cycle aging study.

  14. Characterization of Glycan Structures of Chondroitin Sulfate-Glycopeptides Facilitated by Sodium Ion-Pairing and Positive Mode LC-MS/MS

    Science.gov (United States)

    Nilsson, Jonas; Noborn, Fredrik; Gomez Toledo, Alejandro; Nasir, Waqas; Sihlbom, Carina; Larson, Göran

    2016-11-01

    Purification and liquid chromatography-tandem mass spectrometry (LC-MS/MS) characterization of glycopeptides, originating from protease digests of glycoproteins, enables site-specific analysis of protein N- and O-glycosylations. We have described a protocol to enrich, hydrolyze by chondroitinase ABC, and characterize chondroitin sulfate-containing glycopeptides (CS-glycopeptides) using positive mode LC-MS/MS. The CS-glycopeptides, originating from the Bikunin proteoglycan of human urine samples, had ΔHexAGalNAcGlcAGalGalXyl-O-Ser hexasaccharide structure and were further substituted with 0-3 sulfate and 0-1 phosphate groups. However, it was not possible to exactly pinpoint sulfate attachment residues, for protonated precursors, due to extensive fragmentation of sulfate groups using high-energy collision induced dissociation (HCD). To circumvent the well-recognized sulfate instability, we now introduced Na+ ions to form sodiated precursors, which protected sulfate groups from decomposition and facilitated the assignment of sulfate modifications. Sulfate groups were pinpointed to both Gal residues and to the GalNAc of the hexasaccharide structure. The intensities of protonated and sodiated saccharide oxonium ions were very prominent in the HCD-MS2 spectra, which provided complementary structural analysis of sulfate substituents of CS-glycopeptides. We have demonstrated a considerable heterogeneity of the bikunin CS linkage region. The realization of these structural variants should be beneficial in studies aimed at investigating the importance of the CS linkage region with regards to the biosynthesis of CS and potential interactions to CS binding proteins. Also, the combined use of protonated and sodiated precursors for positive mode HCD fragmentation analysis will likely become useful for additional classes of sulfated glycopeptides.

  15. Characterization of Glycan Structures of Chondroitin Sulfate-Glycopeptides Facilitated by Sodium Ion-Pairing and Positive Mode LC-MS/MS

    Science.gov (United States)

    Nilsson, Jonas; Noborn, Fredrik; Gomez Toledo, Alejandro; Nasir, Waqas; Sihlbom, Carina; Larson, Göran

    2017-02-01

    Purification and liquid chromatography-tandem mass spectrometry (LC-MS/MS) characterization of glycopeptides, originating from protease digests of glycoproteins, enables site-specific analysis of protein N- and O-glycosylations. We have described a protocol to enrich, hydrolyze by chondroitinase ABC, and characterize chondroitin sulfate-containing glycopeptides (CS-glycopeptides) using positive mode LC-MS/MS. The CS-glycopeptides, originating from the Bikunin proteoglycan of human urine samples, had ΔHexAGalNAcGlcAGalGalXyl- O-Ser hexasaccharide structure and were further substituted with 0-3 sulfate and 0-1 phosphate groups. However, it was not possible to exactly pinpoint sulfate attachment residues, for protonated precursors, due to extensive fragmentation of sulfate groups using high-energy collision induced dissociation (HCD). To circumvent the well-recognized sulfate instability, we now introduced Na+ ions to form sodiated precursors, which protected sulfate groups from decomposition and facilitated the assignment of sulfate modifications. Sulfate groups were pinpointed to both Gal residues and to the GalNAc of the hexasaccharide structure. The intensities of protonated and sodiated saccharide oxonium ions were very prominent in the HCD-MS2 spectra, which provided complementary structural analysis of sulfate substituents of CS-glycopeptides. We have demonstrated a considerable heterogeneity of the bikunin CS linkage region. The realization of these structural variants should be beneficial in studies aimed at investigating the importance of the CS linkage region with regards to the biosynthesis of CS and potential interactions to CS binding proteins. Also, the combined use of protonated and sodiated precursors for positive mode HCD fragmentation analysis will likely become useful for additional classes of sulfated glycopeptides.

  16. Alkylphosphate-based nonflammable gel electrolyte for LiMn{sub 2}O{sub 4} positive electrode in lithium-ion battery

    Energy Technology Data Exchange (ETDEWEB)

    Yoshimoto, Nobuko; Gotoh, Daisuke; Egashira, Minato; Morita, Masayuki [Graduate School of Science and Engineering, Yamaguchi University, 2-16-1 Tokiwadai, Ube 755-8611 (Japan)

    2008-12-01

    Polymeric gel containing alkylphosphate has been examined as nonflammable gel electrolyte for LiMn{sub 2}O{sub 4} positive electrode of lithium-ion battery (LIB). The gel was composed of a polymer matrix of poly(vinylidenefluoride-co-hexafluoropropylene) (PVdF-HFP) and a liquid component consisting of ternary solvent of trimethyl phosphate (TMP) mixed with ethylene carbonate (EC) and diethyl carbonate (DEC) that dissolves lithium salt (LiPF{sub 6} or LiBF{sub 4}). The gel composition of 0.8 M (mol dm{sup -3}) LiX (X = PF{sub 6} and BF{sub 4}) dissolved in EC + DEC + TMP (55:25:20) with PVdF-HFP showed excellent nonflammable characteristics and high ionic conductivity of ca. 3.1 mS cm{sup -1} at room temperature (20 C). The charge-discharge cycling test of LiMn{sub 2}O{sub 4} positive electrode gave good reversibility with high capacitance in the gel electrolyte. With respect to the electrolyte salt, LiBF{sub 4} was better than LiPF{sub 6} due to its thermal stability during the gel preparation. (author)

  17. High-rate and ultralong cycle-life LiFePO4 nanocrystals coated by boron-doped carbon as positive electrode for lithium-ion batteries

    Science.gov (United States)

    Feng, Jinpeng; Wang, Youlan

    2016-12-01

    An evolutionary modification approach, boron-doped carbon coating, has been used to improve the electrochemical performances of positive electrodes for lithium-ion batteries, and demonstrates apparent and significant modification effects. In this study, the boron-doped carbon coating is firstly adopted and used to decorate the performance of LiFePO4. The obtained composite exhibits a unique core-shell structure with an average diameter of 140 nm and a 4 nm thick boron-doped carbon shell that uniformly encapsulates the core. Owing to the boron element which could induce high amount of defects in the carbon, the electronic conductivity of LiFePO4 is greatly ameliorated. Thus, the boron-doped composite shows superior rate capability and cycle stability than the undoped sample. For instance, the reversible specific capacity of LiFePO4@B0.4-C can reach 164.1 mAh g-1 at 0.1C, which is approximately 96.5% of the theoretical capacity (170 mAh g-1). Even at high rate of 10C, it still shows a high specific capacity of 126.8 mAh g-1 and can be maintained at 124.5 mAh g-1 after 100 cycles with capacity retention ratio of about 98.2%. This outstanding Li-storage property enable the present design strategy to open up the possibility of fabricating the LiFePO4@B-C composite for high-performance lithium-ion batteries.

  18. Nonlocal Wigner-like correlation energy density functional: parametrization and tests on two-electron systems.

    Science.gov (United States)

    Katriel, Jacob; Bauer, Michael; Springborg, Michael; McCarthy, Shane P; Thakkar, Ajit J

    2007-07-14

    Reparametrization of Wigner's correlation energy density functional yields a very close fit to the correlation energies of the helium isoelectronic sequence. However, a quite different reparametrization is required to obtain an equally close fit to the isoelectronic sequence of Hooke's atom. In an attempt to avoid having to reparametrize the functional for different choices of the one-body potential, we propose a parametrization that depends on global characteristics of the ground-state electron density as quantified by scale-invariant combinations of expectation values of local one-body operators. This should be viewed as an alternative to the density-gradient paradigm, allowing one to introduce the nonlocal dependence of the density functional on the density in a possibly more effective way. Encouraging results are obtained for two-electron systems with one-body potentials of the form r(zeta) with zeta=-12,+12,1, which span the range between the Coulomb potential (zeta=-1) and the Hooke potential (zeta=2).

  19. Spin-orbit coupled two-electron Fermi gases of ytterbium atoms

    CERN Document Server

    Song, Bo; Zhang, Shanchao; Zou, Yueyang; Haciyev, Elnur; Huang, Wei; Liu, Xiong-Jun; Jo, Gyu-Boong

    2016-01-01

    We demonstrate the spin-orbit coupling (SOC) in a two-electron Fermi gas of $^{173}$Yb atoms by coupling two hyperfine ground states via the two-photon Raman transition. Due to the SU($N$) symmetry of the $^1$S$_0$ ground-state manifold which is insensitive to external magnetic field, an optical AC Stark effect is applied to split the ground spin states and separate an effective spin-1/2 subspace out from other hyperfine levels for the realization of SOC. With a momentum-dependent spin-orbit gap being suddenly opened by switching on the Raman transition, the dephasing of spin dynamics is observed, as a consequence of the momentum-dependent Rabi oscillations. Moreover, the momentum asymmetry of the spin-orbit coupled Fermi gas is also examined after projection onto the bare spin state and the corresponding momentum distribution is measured for different two-photon detuning. The realization of SOC for Yb fermions may open a new avenue to the study of novel spin-orbit physics with alkaline-earth-like atoms.

  20. Spin-orbit-coupled two-electron Fermi gases of ytterbium atoms

    Science.gov (United States)

    Song, Bo; He, Chengdong; Zhang, Shanchao; Hajiyev, Elnur; Huang, Wei; Liu, Xiong-Jun; Jo, Gyu-Boong

    2016-12-01

    We demonstrate all-optical implementation of spin-orbit coupling (SOC) in a two-electron Fermi gas of 173Yb atoms by coupling two hyperfine ground states with a narrow optical transition. Due to the SU (N ) symmetry of the S10 ground-state manifold which is insensitive to external magnetic fields, an optical ac Stark effect is applied to split the ground spin states, which exhibits a high stability compared with experiments on alkali-metal and lanthanide atoms, and separate out an effective spin-1/2 subspace from other hyperfine levels for the realization of SOC. The dephasing spin dynamics when a momentum-dependent spin-orbit gap is suddenly opened and the asymmetric momentum distribution of the spin-orbit-coupled Fermi gas are observed as a hallmark of SOC. The realization of all-optical SOC for ytterbium fermions should offer a route to a long-lived spin-orbit-coupled Fermi gas and greatly expand our capability of studying spin-orbit physics with alkaline-earth-metal-like atoms.

  1. Bovine lactoperoxidase - a versatile one- and two-electron catalyst of high structural and thermal stability.

    Science.gov (United States)

    Banerjee, Srijib; Furtmüller, Paul G; Obinger, Christian

    2011-02-01

    Lactoperoxidase (LPO), a member of the peroxidase-cyclooxygenase superfamily, is found in multiple human exocrine secretions and acts as a first line of defense against invading microorganisms by production of antimicrobial oxidants. Because of its ability to efficiently catalyze one- and two-electron oxidation reactions of inorganic and organic compounds, the heme peroxidase is widely used in food biotechnology, cosmetic industry, and diagnostic kits. In order to probe its structural integrity, conformational, and thermal stability, we have undertaken a comprehensive investigation by using complementary biophysical techniques including UV-Vis, circular dichroism and fluorescence spectroscopy as well as differential scanning calorimetry (DSC). The oxidoreductase exhibits a high chemical and thermal stability under oxidizing conditions but is significantly destabilized by addition of DTT. Due to its unique ester bonds between the prosthetic group and the protein as well as six intra-chain disulfides, unfolding of the central compact (-helical core occurs concomitantly with denaturation of the heme cavity. The corresponding enthalpic and entropic contributions to the free enthalpy of unfolding are presented. Together with spectroscopic data they will be discussed with respect to the known structure of bovine LPO and homologous myeloperoxidase as well as to its practical application.

  2. In vivo accuracy of two electronic foramen locators based on different operation systems.

    Science.gov (United States)

    Vasconcelos, Bruno Carvalho de; Araújo, Rebeca Bastos Rocha; Silva, Francisco Cláudio Fernandes Alves e; Luna-Cruz, Suyane Maria; Duarte, Marco Antonio Hungaro; Fernandes, Carlos Augusto de Oliveira

    2014-01-01

    The aim of this study was to compare in vivo the accuracy of two electronic foramen locators (EFLs) based on different operation systems - Root ZX and Propex II. Ten healthy adult patients needing premolar extractions due to orthodontic reasons participated in the study, providing a sample of 17 noncarious, non-restored, vital teeth (n= 24 canals). After coronal access preparation and cervical preflaring and prior to tooth extraction, the root canal length was measured alternating the two EFLs. All measurements were performed with K-files well fitted to the canal diameter at the level that each EFL indicated the apical foramen in their display (APEX or 0.0). The last K-file were fixed in place with cyanoacrylate, the tooth was extracted, and the apical 4 mm of each root were resected to measure the distance between the file tip and the apical foramen. The mean errors based on the absolute values of discrepancies were 0.30 ± 0.29 mm (Root ZX) and 0.32 ± 0.27 mm (Propex II). Analysis by the Wilcoxon test for paired samples showed no statistically significant differences between the electronic canal measurements performed with the EFLs (p=0.587). The apical foramen was accurately located in 75% (Root ZX) and 66.7% (Propex II) of the cases, considering a ±0.5 mm error margin, with no statistically significant difference by the chi-square test. Despite having different measurement mechanisms, both EFLs were capable of locating the apical foramen with high accuracy in vivo. Under the tested clinical conditions, Root ZX and Propex II displayed similar results.

  3. The occurrence and representation of three-centre two-electron bonds in covalent inorganic compounds.

    Science.gov (United States)

    Green, Jennifer C; Green, Malcolm L H; Parkin, Gerard

    2012-12-07

    Although compounds that feature 3-centre 2-electron (3c-2e) bonds are well known, there has been no previous effort to classify the interactions according to the number of electrons that each atom contributes to the bond, in a manner analogous to the classification of 2-centre 2-electron (2c-2e) bonds as either normal covalent or dative covalent. This article provides an extension to the Covalent Bond Classification (CBC) method by categorizing 3c-2e interactions according to whether (i) the two electrons are provided by one or by two atoms and (ii) the central bridging atom provides two, one, or zero electrons. Class I 3c-2e bonds are defined as those in which two atoms each contribute one electron to the 3-centre orbital, while Class II 3c-2e bonds are defined as systems in which the pair of electrons are provided by a single atom. Class I and Class II 3c-2e interactions can be denoted by structure-bonding representations that employ the "half-arrow" notation, which also provides a convenient means to determine the electron count at a metal centre. In contrast to other methods of electron counting, this approach provides a means to predict metal-metal bond orders that are in accord with theory. For example, compounds that feature symmetrically bridging carbonyl ligands do not necessarily have to be described as "ketone derivatives" because carbon monoxide can also serve as an electron pair donor to two metal centres. This bonding description also provides a simple means to rationalize the theoretical predictions of the absence of M-M bonds in molecules such as Fe(2)(CO)(9) and [CpFe(CO)(2)](2), which are widely misrepresented in textbooks as possessing M-M bonds.

  4. Improving cycle life of layered lithium transition metal oxide (LiMO2) based positive electrodes for Li ion batteries by smart selection of the electrochemical charge conditions

    Science.gov (United States)

    Kasnatscheew, Johannes; Evertz, Marco; Streipert, Benjamin; Wagner, Ralf; Nowak, Sascha; Cekic Laskovic, Isidora; Winter, Martin

    2017-08-01

    Increasing the specific energy of a lithium ion battery and maintaining its cycle life is a predominant goal and major challenge for electrochemical energy storage applications. Focusing on the positive electrode as the specific energy bottleneck, cycle life characteristics of promising layered oxide type active materials (LiMO2) has been thoroughly investigated. Comparing the variety of LiMO2 compositions, it could be shown that the ;Ni-rich; (Ni ≥ 60% for M in LiMO2) electrodes expectably revealed best performance compromises between specific energy and cycle life at 20 °C, but only LiNi0.6Mn0.2Co0.2O2 (NMC622) could also maintain sufficient cycle performance at elevated temperatures. Focusing on NMC622, it could be demonstrated that the applied electrochemical conditions (charge capacity, delithiation amount) in the formation cycles significantly influence the subsequent cycling performance. Moreover, the insignificant transition metal dissolution, demonstrated by means of total X-ray fluorescence (TXRF) technique, and unchanged lithiation degree in the discharged state, determined by the measurement of the Li+ content by means of the inductively coupled plasma optical emission spectroscopy (ICP-OES) technique, pointed to a delithiation (charge) hindrance capacity fade mechanism. Considering these insights, thoughtful modifications of the electrochemical charge conditions could significantly prolong the cycle life.

  5. MCSCF/CI ground state potential energy surface, dipole moment function, and gas phase vibrational frequencies for the nitrogen dioxide positive ion

    Energy Technology Data Exchange (ETDEWEB)

    Hopper, D.G.

    1980-05-01

    The ground state potential energy surface for the nitrogen dioxide positive ion, NO/sup +//sub 2/X /sup 1/..sigma../sup +//sub g/(..sigma../sup +/,A/sub 1/,A'), has been scanned with a correlated wave function to obtain directly, for the first time, the gas phase equilibrium geometry, force constants, vibrational frequencies, and dipole moment function. The wave function for this scan was constructed from a double-zeta plus polarization one-electron basis with a 12 configuration MCSCF determination of the orbital basis for a full valence /sup 1/..sigma../sup +//sub g/ configuration interaction expansion. The calculated equilibrium bond length is 1.12 A. The vibrational frequencies are computed to be ..nu../sub 1/=1514, ..nu../sub 2/=679, and ..nu../sub 3/=2614 cm/sup -1/ The present ab initio results differ significantly from crystalline spectroscopic studies and are, thus, the best values available for the gas phase vibrational frequencies. The dipole moment function is nonzero at the ..sigma../sup +/, A/sub 1/, and A' geometries included in the potential surface scan, and is obtained here to provide for the future a priori calculation of the infrared band intensities.

  6. Electron-transfer and acid-base properties of a two-electron oxidized form of quaterpyrrole that acts as both an electron donor and an acceptor.

    Science.gov (United States)

    Zhang, Min; E, Wenbo; Ohkubo, Kei; Sanchez-Garcia, David; Yoon, Dae-Wi; Sessler, Jonathan L; Fukuzumi, Shunichi; Kadish, Karl M

    2008-02-21

    Electron-transfer interconversion between the four-electron oxidized form of a quaterpyrrole (abbreviated as P4 for four pyrroles) and the two-electron oxidized form (P4H2) as well as between P4H2 and its fully reduced form (P4H4) bearing analogous substituents in the alpha- and beta-pyrrolic positions was studied by means of cyclic voltammetry and UV-visible spectroelectrochemistry combined with ESR and laser flash photolysis measurements. The two-electron oxidized form, P4H2, acts as both an electron donor and an electron acceptor. The radical cation (P4H2*+) and radical anion (P4H2*-) are both produced by photoinduced electron transfer from dimeric 1-benzyl-1,4-dihydronicotinamide to P4H2, whereas the cation radical form of the compound is also produced by electron-transfer oxidation of P4H2 with [Ru(bpy)3]3+. The ESR spectra of P4H2*+ and P4H2*- were recorded at low temperature and exhibit spin delocalization over all four pyrrole units. Thus, the two-electron oxidized form of the quaterpyrrole (P4H2) displays redox and electronic features analogous to those seen in the case of porphyrins and may be considered as a simple, open-chain model of this well-studied tetrapyrrolic macrocycle. The dynamics of deprotonation from P4H2*+ and disproportionation of P4H2 were examined by laser flash photolysis measurements of photoinduced electron-transfer oxidation and reduction of P4H2, respectively.

  7. Characterization of the energy response and backscatter contribution for two electronic personal dosimeter models.

    Science.gov (United States)

    Meier, Joseph; Kappadath, S Cheenu

    2015-11-08

    We characterized the energy response of personal dose equivalent (Hp(10) in mrem) and the contribution of backscatter to the readings of two electronic personal dosimeter (EPD) models with radionuclides commonly used in a nuclear medicine clinic. The EPD models characterized were the RADOS RAD-60R, and the SAIC PD-10i. The experimental setup and calculation of EPD energy response was based on ANSI/HPS N13.11-2009. Fifteen RAD-60R and 2 PD-10i units were irradiated using (99m)Tc, (131)I, and (18)F radionuclides with emission energies at 140 keV, 364 keV, and 511 keV, respectively. At each energy, the EPDs output in Hp(10) [mrem] were recorded with 15 inch thick PMMA to simulate backscatter form the torso. Simultaneous free-in-air exposure rate measurements were also performed using two Victoreen ionization survey meters to calculate the expected EPD Hp(10) values per ANSI/HPS N13.11-2009. The energy response was calculated by taking the ratio of the EPD Hp(10) readings with the expected Hp(10) readings and a two-tailed z-test was used to determine the significance of the ratio deviating away from unity. The contribution from backscatter was calculated by taking the ratio of the EPD Hp(10) readings with and without backscatter material. A paired, two-tailed t-test was used to determine the significance of change in EPD Hp(10) readings. The RAD-60R mean energy response at 140 keV was 0.85, and agreed to within 5% and 11% at 364 and 511 keV, respectively. The PD-10i mean energy response at 140 keV was 1.20, and agreed to within 5% at 364 and 511 keV, respectively. On average, in the presence of acrylic, RAD-60R values increased by 32%, 12%, and 14%, at 140, 364, and 511 keV, respectively; all increases were statistically significant. The PD-10i increased by 25%, 19%, and 10% at 140 keV, 364 keV, and 511 keV, respectively; however, only the 140 keV measurement was statistically significant. Although both EPD models performed within the manufacturers' specifications of

  8. How is the water molecule activated on metalloporphyrins? Oxygenation of substrates induced through one-photon/two-electron conversion in artificial photosynthesis by visible light.

    Science.gov (United States)

    Shimada, Tetsuya; Kumagai, Akihiro; Funyu, Shigeaki; Takagi, Shinsuke; Masui, Dai; Nabetani, Yu; Tachibana, Hiroshi; Tryk, Donald A; Inoue, Haruo

    2012-01-01

    The reaction mechanism of the highly efficient (phi = 0.60), selective photochemical epoxidation of alkenes sensitized by CO-coordinated tetra(2,4,6-trimethyl)phenylporphyrinatoruthenium(II) (Ru(II)TMP(CO)), with water acting both as an electron and oxygen atom donor, was investigated. The steady-state light irradiation of the reaction mixture indicated the formation of the Ru(II)TMP (CO) cation radical under neutral conditions, which was effectively trapped by an hydroxide ion to regenerate the starting sensitizer. By means of a laser flash photolysis experiment, the formation of the cation radical as the primary process from the triplet excited state of Ru(II)TMP(CO) was clearly observed. Four kinds of transients were detected in completely different ranges of the delay time: the excited triplet state of Ru(II)TMP(CO) [delay time region reaction mechanism was revealed that involves RuTMP(CO) cation radical formation from the triplet excited state of the sensitizer, followed by attack of an hydroxide ion to form an hydroxyl-coordinated Ru-porphyrin (Intermediate [I]) and subsequent reaction with cyclohexene to form Intermediate [II]. The kinetics for each step of the successive processes was carefully analyzed and their rate constants were determined. The two-electron oxidation of water by one-photon irradiation, as revealed in the photochemical epoxidation, is proposed to be one of the more promising candidates to get through the bottleneck of water oxidation in artificial photosynthesis.

  9. Simultaneous quantitation of cocaine, opiates, and their metabolites in human hair by positive ion chemical ionization gas chromatography-mass spectrometry.

    Science.gov (United States)

    Höld, K M; Wilkins, D G; Rollins, D E; Joseph, R E; Cone, E J

    1998-03-01

    A sensitive method is developed for the combined extraction of cocaine (COC), cocaethylene (CE), benzoylecgonine (BE), ecgonine methyl ester (EME), norcocaine (NORCOC), 6-acetylmorphine (6-MAM), codeine (COD), norcodeine (NORCOD), morphine (MOR), and normorphine (NORMOR) from human head hair using an enzyme-based digestion technique (Protease VIII/DTT/Tris-buffer pH 6.5 at 22 degrees C). After pH adjustment to 5.5, the digests are extracted with a solid-phase extraction procedure using Bond-Elut Certify columns. The extract residues are evaporated at 40 degrees C, reconstituted in 20 microL of ethyl acetate, and derivatized with the reagents N-methyl-N-trimethylsilylheptafluorobutyramide (MSHFBA), N-methyl-bis-heptafluorobutyramide (MBHFBA), and N-trimethylsilylimidazole (TMSIM). Analyses are performed by positive ion chemical ionization gas chromatography-mass spectrometry using a DB-1 capillary column. Two injections are performed on each extract to optimize sensitivity for all analytes. The assay is capable of reliably quantitating 500 pg/mg of all compounds and is linear to 50 ng/mg, except for BE, which is linear to 25.0 ng/mg. The method was used to analyze human hair samples obtained from cocaine and heroin users. COC, BE, and EME are detectable in all samples, whereas NORCOC, CE, COD, 6-MAM, and MOR are detected in only some samples. Norcodeine and normorphine are not detected. The assay is currently being used to analyze hair samples from a study investigating the mechanisms of drug disposition in hair.

  10. Magnetic annealing of the ion-beam sputtered IrMn/CoFeB bilayers - positive exchange bias and coercivity behaviour

    Science.gov (United States)

    Raju, M.; Chaudhary, Sujeet; Pandya, D. K.

    2013-12-01

    The effect of optimum dilution of antiferromagnetic (AF)/ferromagnetic (FM) interface necessary for observance of positive exchange bias in ion-beam sputtered Si/Ir22Mn78 ( t AF = 12, 18, 24 nm)/Co20Fe60B20( t FM = 6,9,15 nm) exchange coupled bilayers is investigated by magnetic annealing at 380, 420 and 460 °C for 1 h at 5 × 10-6 Torr in presence of 500 Oe magnetic field. While the coercivity of the exchange coupled FM layer decreases with the increase in annealing temperature irrespective of the value of t AF or t FM, the hysteresis loops however shift by ≈+ 10 Oe whenever the coercivity drops in the 10-15 Oe range. This is consistent with the phase diagram of exchange bias field and coercivity derived from Meiklejohn and Bean model. The X-ray diffraction and X-ray reflectivity measurements confirmed that the texture, grain size and interface roughness of IrMn/CoFeB bilayers are thickness dependent and are correlated to the observed magnetic response of the bilayers. The results establish that optimum dilution of the IrMn/CoFeB interface by thermally diffused Mn-spins is necessary in inducing the effective coupling between the IrMn domains and diluted CoFeB layer. It is further shown that the annealing temperature required for the optimum dilution of the CoFeB interface critically depends on the thickness of the layers.

  11. Simulations of one- and two-electron systems by Bead-Fourier path integral molecular dynamics

    Science.gov (United States)

    Ivanov, Sergei D.; Lyubartsev, Alexander P.

    2005-07-01

    The Bead-Fourier path integral molecular dynamics technique introduced earlier [S. D. Ivanov, A. P. Lyubartsev, and A. Laaksonen, Phys. Rev. E 67 066710 (2003)] is applied for simulation of electrons in the simplest molecules: molecular hydrogen, helium atom, and their ions. Special attention is paid to the correct description of electrons in the core region of a nucleus. In an attempt to smooth the Coulomb potential at small distances, a recipe is suggested. The simulation results are in excellent agreement with the analytical solution for the "harmonic helium atom", as well as with the vibrational potential of the H2 molecule and He ionization energies. It is demonstrated, that the Bead-Fourier path integral molecular dynamics technique is able to provide the accuracy required for the description of electron structure and chemical bonds in cases when electron exchange effects need not be taken into account.

  12. Two-electron rearrangement K x-ray transitions in Na, Mg, and Al metals

    Energy Technology Data Exchange (ETDEWEB)

    Aberg, T.; Reinikainen, K.; Keski-Rahkonen, O.

    1981-01-01

    One-photon KL/sup n//sub 2,3/ (n=1,2) radiative electron rearrangement (KL/sup n/ RER) x-ray transitions have been observed in sodium, magnesium, and aluminum metals following electron-impact excitation. The structure of the KL/sup n/ RER transitions has been separated from the KLL and KL/sub 1/V radiative Auger (RA) structure and their intensity relative to the KL/sup n//sub 2,3/-L/sup n/+1/sub 2,3/ transitions has been determined. No significant discrepancy between the experimental and calulated KL/sup 1/ RER branching ratios has been found in contrast to recent ion-impact results of Jamison et al. for aluminum and silicon. Our KL/sup 2/ RER results also agree with theoretical predictions.

  13. Gas phase ion chemistry

    CERN Document Server

    Bowers, Michael T

    1979-01-01

    Gas Phase Ion Chemistry, Volume 2 covers the advances in gas phase ion chemistry. The book discusses the stabilities of positive ions from equilibrium gas-phase basicity measurements; the experimental methods used to determine molecular electron affinities, specifically photoelectron spectroscopy, photodetachment spectroscopy, charge transfer, and collisional ionization; and the gas-phase acidity scale. The text also describes the basis of the technique of chemical ionization mass spectrometry; the energetics and mechanisms of unimolecular reactions of positive ions; and the photodissociation

  14. Highly Efficient and Scalable Compound Decomposition of Two-Electron Integral Tensor and Its Application in Coupled Cluster Calculations.

    Science.gov (United States)

    Peng, Bo; Kowalski, Karol

    2017-09-12

    The representation and storage of two-electron integral tensors are vital in large-scale applications of accurate electronic structure methods. Low-rank representation and efficient storage strategy of integral tensors can significantly reduce the numerical overhead and consequently time-to-solution of these methods. In this work, by combining pivoted incomplete Cholesky decomposition (CD) with a follow-up truncated singular vector decomposition (SVD), we develop a decomposition strategy to approximately represent the two-electron integral tensor in terms of low-rank vectors. A systematic benchmark test on a series of 1-D, 2-D, and 3-D carbon-hydrogen systems demonstrates high efficiency and scalability of the compound two-step decomposition of the two-electron integral tensor in our implementation. For the size of the atomic basis set, Nb, ranging from ∼100 up to ∼2,000, the observed numerical scaling of our implementation shows [Formula: see text] versus [Formula: see text] cost of performing single CD on the two-electron integral tensor in most of the other implementations. More importantly, this decomposition strategy can significantly reduce the storage requirement of the atomic orbital (AO) two-electron integral tensor from [Formula: see text] to [Formula: see text] with moderate decomposition thresholds. The accuracy tests have been performed using ground- and excited-state formulations of coupled cluster formalism employing single and double excitations (CCSD) on several benchmark systems including the C60 molecule described by nearly 1,400 basis functions. The results show that the decomposition thresholds can be generally set to 10(-4) to 10(-3) to give acceptable compromise between efficiency and accuracy.

  15. Ion focusing

    Energy Technology Data Exchange (ETDEWEB)

    Cooks, Robert Graham; Baird, Zane; Peng, Wen-Ping

    2017-01-17

    The invention generally relates to apparatuses for focusing ions at or above ambient pressure and methods of use thereof. In certain embodiments, the invention provides an apparatus for focusing ions that includes an electrode having a cavity, at least one inlet within the electrode configured to operatively couple with an ionization source, such that discharge generated by the ionization source is injected into the cavity of the electrode, and an outlet. The cavity in the electrode is shaped such that upon application of voltage to the electrode, ions within the cavity are focused and directed to the outlet, which is positioned such that a proximal end of the outlet receives the focused ions and a distal end of the outlet is open to ambient pressure.

  16. Two-electron reduction of nitroaromatic compounds by flavin mononucleotide. DFT computational study

    Directory of Open Access Journals (Sweden)

    Liudmyla K. Sviatenko

    2016-08-01

    Full Text Available The mechanism for reduction of nitroaromatic compounds by flavin mononucleotide (FMN was examined at MPWB1K/tzvp level. The solvent effects were calculated using a PCM(Pauling and SMD(Pauling solvation models for ions and neutral molecules, respectively. Calculated thermodynamics of the reduction of nitro group to nitroso group suggests consequtive four-steps’ process (electron–proton–electron–proton transfer where the first proton comes from solution, while the second one – from FMN. Water molecule releases during fourth step of the process. Electron attachment to nitrocompound and electron lose by reduced FMN facilitate the breaking of N–O bond and proton release, respectively. Calculations show that reduction of nitro group to nitroso group in studied nitrocompounds is a thermodynamically feasible with 56–59 kcal/mol Gibbs free energy release. The most easy electron transfer proceeds for TNT (2,4,6-trinitrotoluene and NTO (5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one. While the most energy release occurs during proton transfer in case of ANTA (5-amino-3-nitro-1H-1,2,4-triazole.

  17. Adiabatic potential energy curves of long-range Rydberg molecules: Two-electron R-matrix approach

    CERN Document Server

    Tarana, Michal

    2016-01-01

    We introduce a computational method developed for study of long-range molecular Rydberg states of such systems that can be approximated by two electrons in a model potential of the atomic cores. Only diatomic molecules are considered. The method is based on a two-electron \\rmath approach inside a sphere centered on one of the atoms. The wave function is then connected to a Coulomb region outside the sphere via multichannel version of the Coulomb Green's function. This approach is put into a test by its application to a study of Rydberg states of the hydrogen molecule for internuclear distances $R$ from 20 to 400 bohrs and energies corresponding to $n$ from 3 to 22. The results are compared with previous quantum chemical calculations (lower quantum numbers $n$) and computations based on contact potential models (higher quantum numbers $n$).

  18. Superlinear scaling in master-slave quantum chemical calculations using in-core storage of two-electron integrals.

    Science.gov (United States)

    Fossgård, Eirik; Ruud, Kenneth

    2006-02-01

    We describe the implementation of a parallel, in-core, integral-direct Hartree-Fock and density functional theory code for the efficient calculation of Hartree-Fock wave functions and density functional theory. The algorithm is based on a parallel master-slave algorithm, and the two-electron integrals calculated by a slave are stored in available local memory. To ensure the greatest computational savings, the master node keeps track of all integral batches stored on the different slaves. The code can reuse undifferentiated two-electron integrals both in the wave function optimization and in the evaluation of second-, third-, and fourth-order molecular properties. Superlinear scaling is achieved in a series of test examples, with speedups of up to 55 achieved for calculations run on medium-sized molecules on 16 processors with respect to the time used on a single processor.

  19. First principles calculations of double ionization energy spectra and two-electron distribution function using T-matrix theory

    Energy Technology Data Exchange (ETDEWEB)

    Noguchi, Yoshifumi [Department of Physics, Graduate School of Engineering, Yokohama National University, 79-5 Tokiwadai, Hodogaya-ku, Yokohama 240-8501 (Japan); Computational Materials Science Center, National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan)], E-mail: NOGUCHI.Yoshifumi@nims.go.jp; Ishii, Soh; Ohno, Kaoru [Department of Physics, Graduate School of Engineering, Yokohama National University, 79-5 Tokiwadai, Hodogaya-ku, Yokohama 240-8501 (Japan)

    2007-05-15

    Short-range electron correlation plays a very important role in small systems and significantly affects the double ionization energy (DIE) spectra and the two-electron distribution functions of a CO molecule, for example. In our calculations, the local density approximation (LDA) of the density functional theory is chosen as a starting point, the GW approximation (GWA) is performed in a next step, and finally the Bethe-Salpeter equation for the T-matrix, describing the particle-particle ladder diagrams up to the infinite order, is solved via the eigenvalue problem. The calculated DIE spectra, which are directly given by the eigenvalues, reflect the short-range electron correlation and are in good agreement with the experiment. We confirm that the Coulomb hole appears in the two-electron distribution function constructed from the eigenfunction.

  20. TEMPO-Assisted Free Radical-Initiated Peptide Sequencing Mass Spectrometry (FRIPS MS) in Q-TOF and Orbitrap Mass Spectrometers: Single-Step Peptide Backbone Dissociations in Positive Ion Mode

    Science.gov (United States)

    Jang, Inae; Lee, Sun Young; Hwangbo, Song; Kang, Dukjin; Lee, Hookeun; Kim, Hugh I.; Moon, Bongjin; Oh, Han Bin

    2017-01-01

    The present study demonstrates that one-step peptide backbone fragmentations can be achieved using the TEMPO [2-(2,2,6,6-tetramethyl piperidine-1-oxyl)]-assisted free radical-initiated peptide sequencing (FRIPS) mass spectrometry in a hybrid quadrupole time-of-flight (Q-TOF) mass spectrometer and a Q-Exactive Orbitrap instrument in positive ion mode, in contrast to two-step peptide fragmentation in an ion-trap mass spectrometer (reference Anal. Chem. 85, 7044-7051 (30)). In the hybrid Q-TOF and Q-Exactive instruments, higher collisional energies can be applied to the target peptides, compared with the low collisional energies applied by the ion-trap instrument. The higher energy deposition and the additional multiple collisions in the collision cell in both instruments appear to result in one-step peptide backbone dissociations in positive ion mode. This new finding clearly demonstrates that the TEMPO-assisted FRIPS approach is a very useful tool in peptide mass spectrometry research.

  1. Hooke's Atom in an Arbitrary External Electric Field: Analytical Solutions of Two-Electron Problem by Path Integral Approach

    Institute of Scientific and Technical Information of China (English)

    CAI Liang; ZHANG Ping; YANG Tao; PAN Xiao-Yin

    2011-01-01

    By using the path integral approach, we investigate the problem of Hooke's atom (two electrons interacting with Coulomb potential in an external harmonic-oscillator potential) in an arbitrary time-dependent electric field. For a certain infinite set of discrete oscillator frequencies, we obtain the analytical solutions. The ground state polarization of the atom is then calculated. The same result is also obtained through linear response theory.

  2. Study of the effect of positive ions impinging sensitive emulsions in mass spectrography; Etude de l'action des ions positifs sur les emulsions sensibles en spectrographie de masse

    Energy Technology Data Exchange (ETDEWEB)

    Cavard, A. [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

    1969-08-01

    Experimental relationships have been established between the blackening of emulsions by impinging ions and the following parameters: number, mass and energy of impinging particles. Mean energy ions (about twenty keV) give rise to a latent image probably made of small specks of metallic silver located at the surface or in the bulk of the silver halide grain. A specific developer for ion sensitive emulsion was perfected. Sensitivity and detection threshold are increased by a factor of two or three, compared with values observed using a classical developer. Low energy particles sputtered from superficial layers of the emulsion by the impinging twenty keV ions, produce a latent image close to the surface of the silver halide grain. An oxidizing process bleaches superficial latent image and then reduces background fog. The improved signal over background ratio allows to observe lines undetectable when the plates are developed by usual process. (author) [French] On a etabli les relations experimentales entre le noircissement resultant de l'action des ions sur l'emulsion sensible et les parametres suivants: nombre de particules incidentes, masse et energie de ces particules. L'effet sur les grains d'halogenure d'argent a ete examine: les ions d'energie moyenne (de l'ordre de 20 keV) creent une image latente vraisemblablement constituee d'argent, situee a la fois a la surface et a l'interieur du grain. Un revelateur specifique pour le developpement des emulsions sensibles exposees aux ions a ete mis au point: il accroit la sensibilite d'un facteur deux a trois et le facteur de contraste par rapport a un revelateur usuel. Les particules de faible energie, emises par pulverisation des couches superficielles de l'emulsion au cours de l'enregistrement des spectres de masse des ions d'energie moyenne, creent essentiellement dans les grains d'halogenure d'argent, une image latente superficielle

  3. In vivo comparison of the accuracy of two electronic apex locators.

    Science.gov (United States)

    Silveira, Luiz F M; Petry, Fernanda V; Martos, Josué; Neto, João B C

    2011-08-01

    The aim of this study was to analyse in vivo the accuracy of two apex locators, Root ZX and Novapex, to determine the position of the apical constriction. Twenty-three human single-rooted teeth to be extracted for periodontal reasons constituted the experiment. Endodontic access was obtained and the apical constriction was determined by one of the apex locators after initial crown-down preparation. When the electronic marker indicated that the tip of the endodontic file was at the apical constriction, the teeth were filled with composite and then surgically removed. The presence of the endodontic file tip at the apical constriction was evaluated stereomicroscopically (30×) and confirming radiographs were exposed. The accuracy of Root ZX and Novapex was 91.7% and 81.8% respectively. Within the limits of this study, the evaluated apex locators have a similar clinical performance for the apical constriction location.

  4. 正离子初速度对电负性等离子体磁鞘结构的影响%Effects of Positive Ion Initial Velocity on Electronegative Plasma Sheath Structure in a Magnetic Field

    Institute of Scientific and Technical Information of China (English)

    刘惠平; 邹秀; 邱明辉; 张志华; 何明

    2011-01-01

    Using a fluid model, the Bohm criterion is obtained for the electronegative plasma sheath in a magnetic field by theoretical deduction, and the effects of positive ion initial velocity into the sheath on the charged particle density and electric potential distributions in electronegative plasma sheath in the presence of a magnetic field are numerically investigated. The results reveal that the initial velocity of positive ion in the y axis direction has greater effects on the charged particle density and electric potential distributions , while the influence of positive ion initial velocity in z axis on the charged particle density distributions is unconspicuous.%采用流体模型经过理论推导得到了电负性等离子体磁鞘的玻姆判据,并数值研究了正离子进入鞘层时的初速度对电负性等离子体磁鞘中带电粒子密度及电势分布的影响.研究结果表明:正离子进入鞘层时y方向的初速度对磁鞘中带电粒子的密度和电势分布有较大的影响,而其z方向的初速度对磁鞘中带电粒子密度分布的影响很小.

  5. Investigations of the Lamb shift in heavy one and two electron systems; Untersuchungen zur Lamb-Verschiebung in schweren Ein- und Zwei-Elektronen-Systemen

    Energy Technology Data Exchange (ETDEWEB)

    Reuschl, Regina

    2008-07-01

    Experiments on the 1s Lamb-shift in heavy H-like ions and on the intra-shell transitions in heavy He-like systems have been performed. These investigations are of particular interest to verify the validity of quantum electrodynamics (QED) in extremely strong Coulomb fields. In addition, in heavy systems not only QED but also relativistic effects start to play a key role. The experiments have been performed at the gas-jet target of the experimental storage ring (ESR) at GSI. In an experiment with He-like uranium we were able to directly measure the intra-shell transition 2{sup 3}P{sub 2}{yields}2{sup 3}S{sub 1}, in a high-Z system for the very first time. This has been achieved by combining the results from a high-resolution Bragg crystal-spectrometer and a standard planar Germanium detector. A fit of the experimental spectrum with data obtained from a simulation shows, the theoretical predictions describe the transition dynamics very well in this two-electron system. Another experiment has been performed on H-like lead to investigate the 1s Lamb-shift in heavy H-like systems. Here, a high-resolution Laue crystal-spectrometer has been commissioned together with novel high-resolution two dimensional micro-strip Ge-detectors. The combination of both instruments is a very promising tool for future high-precision X-ray experiments. (orig.)

  6. Using positive-ion electrospray ionization mass spectrometry and H/D exchange study phosphoryl group transfer reactions involved in amino acid ester isopropyl phosphoramidates of Brefeldin A

    Energy Technology Data Exchange (ETDEWEB)

    Fang, Mei-Juan; Zhang, He; Liao, Chao; Qiu, Ying-Kun [School of Pharmaceutical Sciences and the Key Laboratory for Chemical Biology of Fujian Province, Xiamen University, Xiang-An South Road, Xiamen 361102 (China); Fang, Hua [The Third Institute of Oceanography of the State Oceanic Administration, Xiamen 361005 (China); Zheng, Zhen-Yu [College of Chemistry and Chemical Engineering, Department of Chemistry, Xiamen University, Xiamen 361005 (China); Gao, Xiang [School of Pharmaceutical Sciences and the Key Laboratory for Chemical Biology of Fujian Province, Xiamen University, Xiang-An South Road, Xiamen 361102 (China); Zhao, Yu-Fen [School of Pharmaceutical Sciences and the Key Laboratory for Chemical Biology of Fujian Province, Xiamen University, Xiang-An South Road, Xiamen 361102 (China); College of Chemistry and Chemical Engineering, Department of Chemistry, Xiamen University, Xiamen 361005 (China); Wu, Zhen, E-mail: wuzhen@xmu.edu.cn [School of Pharmaceutical Sciences and the Key Laboratory for Chemical Biology of Fujian Province, Xiamen University, Xiang-An South Road, Xiamen 361102 (China)

    2015-01-01

    Highlights: • ESI-MS{sup n}, HRMS and H/D exchange were used. • The fragmentation pathways of NPAAE-BFA in ESI-MS{sup n} were described. • Fragment ions involved in phosphorus group’s rearrangement reactions were observed. • Two rearrangement mechanisms about phosphorylation–dephosphorylation were proposed. - Abstract: As mini-chemical models, amino acid ester isopropyl phosphoramidates of Brefeldin A (compounds 2a–2d) were synthesized and investigated by electrospray ionization tandem mass spectrometry in combination with H/D exchange. To further confirm the fragments’s structures, off-line Fourier transform resonance tandem mass spectrometry (FT-ICR-MS/MS) was also performed. The fragmentation rules of compounds 2a–2d have been summarized and the plausible schemes for the fragmentation pathways were proposed. In this study, one dephosphorylated ion and two phosphorylated ions were observed in ESI-MS{sup 2} spectra of [M + Na]{sup +} ions for compounds 2a–2d. The possible mechanisms about phosphorylation and dephosphorylation were proposed and confirmed by H/D exchange. For the “dephosphorylation” rearrangement, a nitrogen atom was migrated from the phosphoryl group to the carbon atom of Brefeldin A’s backbone with losing a molecule of C{sub 3}H{sub 7}PO{sub 3} (122 Da). For the “phosphorylation” rearrangement, an oxygen atom of one phosphoryl group attacked the sideward phosphorus atom to form a nine-member ring intermediate, then two steps of C-H covalent bond cleavage with consecutive migration of hydrogen atom to lose a molecule of C{sub 16}H{sub 20}O{sub 2} (244 Da). The two proposed rearrangement mechanisms about phosphoryl group transfer might be valuable for the structure analysis of other analogs and provide insights into elucidating the dynamic process of the phosphorylation–dephosphorylation of proteins.

  7. Matrix assisted ionization: new aromatic and nonaromatic matrix compounds producing multiply charged lipid, peptide, and protein ions in the positive and negative mode observed directly from surfaces.

    Science.gov (United States)

    Li, Jing; Inutan, Ellen D; Wang, Beixi; Lietz, Christopher B; Green, Daniel R; Manly, Cory D; Richards, Alicia L; Marshall, Darrell D; Lingenfelter, Steven; Ren, Yue; Trimpin, Sarah

    2012-10-01

    Matrix assisted inlet ionization (MAII) is a method in which a matrix:analyte mixture produces mass spectra nearly identical to electrospray ionization without the application of a voltage or the use of a laser as is required in laserspray ionization (LSI), a subset of MAII. In MAII, the sample is introduced by, for example, tapping particles of dried matrix:analyte into the inlet of the mass spectrometer and, therefore, permits the study of conditions pertinent to the formation of multiply charged ions without the need of absorption at a laser wavelength. Crucial for the production of highly charged ions are desolvation conditions to remove matrix molecules from charged matrix:analyte clusters. Important factors affecting desolvation include heat, vacuum, collisions with gases and surfaces, and even radio frequency fields. Other parameters affecting multiply charged ion production is sample preparation, including pH and solvent composition. Here, findings from over 100 compounds found to produce multiply charged analyte ions using MAII with the inlet tube set at 450 °C are presented. Of the compounds tested, many have -OH or -NH(2) functionality, but several have neither (e.g., anthracene), nor aromaticity or conjugation. Binary matrices are shown to be applicable for LSI and solvent-free sample preparation can be applied to solubility restricted compounds, and matrix compounds too volatile to allow drying from common solvents. Our findings suggest that the physical properties of the matrix such as its morphology after evaporation of the solvent, its propensity to evaporate/sublime, and its acidity are more important than its structure and functional groups.

  8. Bay Functionalized Perylenediimide with Pyridine Positional Isomers: NIR Absorption and Selective Colorimetric/Fluorescent Sensing of Fe(3+) and Al(3+) Ions.

    Science.gov (United States)

    Kundu, Anu; Pitchaimani, Jayaraman; Madhu, Vedichi; Sakthivel, Pachagounder; Ganesamoorthy, Ramasamy; Anthony, Savarimuthu Philip

    2017-03-01

    Bay functionalized perylene diimide substituted with pyridine isomers, (2-pyridine (2HMP-PDI), 3-pyridine (3-HMP-PDI) and 4-pyridine (4-HMP-PDI)) have been synthesized and explored for selective coloro/fluorimetric sensing of heavy transition metal ions. HMP-PDIs showed strong NIR absorption (760-765 nm) in DMF. The absorption and fluorescence of HMP-PDIs have been tuned by make use of pyridine isomers. Reddish-orange color was observed for 2-HMP-PDI (λmax = 437, 551, 765 nm) whereas 4-HMP-PDI exhibited light green (λmax = 432, 522, 765 nm). 3-HMP-PDI showed orange-yellow (λmax = 431, 524, 762 nm). The fluorescence spectra of 2-, 3- and 4-HMP-PDI showed λmax at 585, 538, 546 nm, respectively. Interestingly, HMP-PDI dyes showed selective color change (intense pink color) and fluorescence quenching for Fe(3+) and Al(3+) metal ions in DMF. Absorbance spectra revealed complete disappearance of NIR absorption and intensification/appearance of new peak at lower wavelength. The concentration dependent studies suggest that 4-HMP-PDI can detect up to 36.52 ppb of Fe(3+) and 43.12 ppb of Al(3+) colorimetrically. The interference studies in presence of other metal ions confirmed the good selectivity for Fe(3+) and Al(3+). The mechanistic studies indicate that Lewis acidic character of Fe(3+) and Al(3+) ions were responsible for selective color change and fluorescence quenching.

  9. Cooperative motion of a key positively charged residue and metal ions for DNA replication catalyzed by human DNA Polymerase-η.

    Science.gov (United States)

    Genna, Vito; Gaspari, Roberto; Dal Peraro, Matteo; De Vivo, Marco

    2016-04-07

    Trans-lesion synthesis polymerases, like DNA Polymerase-η (Pol-η), are essential for cell survival. Pol-η bypasses ultraviolet-induced DNA damages via a two-metal-ion mechanism that assures DNA strand elongation, with formation of the leaving group pyrophosphate (PPi). Recent structural and kinetics studies have shown that Pol-η function depends on the highly flexible and conserved Arg61 and, intriguingly, on a transient third ion resolved at the catalytic site, as lately observed in other nucleic acid-processing metalloenzymes. How these conserved structural features facilitate DNA replication, however, is still poorly understood. Through extended molecular dynamics and free energy simulations, we unravel a highly cooperative and dynamic mechanism for DNA elongation and repair, which is here described by an equilibrium ensemble of structures that connect the reactants to the products in Pol-η catalysis. We reveal that specific conformations of Arg61 help facilitate the recruitment of the incoming base and favor the proper formation of a pre-reactive complex in Pol-η for efficient DNA editing. Also, we show that a third transient metal ion, which acts concertedly with Arg61, serves as an exit shuttle for the leaving PPi. Finally, we discuss how this effective and cooperative mechanism for DNA repair may be shared by other DNA-repairing polymerases.

  10. Excitation and charge transfer in He/sup +/ + H collisions. A molecular approach including two-electron translation factors

    Energy Technology Data Exchange (ETDEWEB)

    Errea, L.F.; Mendez, L.; Riera, A.

    1983-06-01

    In a previous paper we have pointed out that the common-translation-factor (CTF) method is the only one which, at present, and within the framework of the molecular model of atomic collisions, can be shown to be both convergent and computationally fast, even for many-electron systems. In this Communication we check that this second statement is correct, presenting, for the first time, a molecular calculation involving two-electron translation factors, for He/sup +/ + H collisions. A careful study of the sensitivity of the calculated cross sections to the choice of the CTF is performed, and conclusions on that sensitivity are drawn, for several types of processes.

  11. Bromine oxidation of a nickel(II) bis(oxime-imine) complex. Evidence for a single-step outer-sphere two-electron transfer

    Energy Technology Data Exchange (ETDEWEB)

    Lappin, A.G.; Osvath, P.; Baral, S.

    1987-09-23

    The kinetics and mechanism of the two-electron oxidation of the sexidentate bis(oxime-imine) complex of nickel(II), (Ni/sup II/L) (I), by bromine have been investigated in bromide ion media over the pH range 3.1-7.6 at 25/sup 0/C and 1.0 M ionic strength. In the presence of an excess of bromine or nickel(II), oxidation is monophasic, and the initial product is (Ni/sup IV/L)/sup 2 +/, a formal nickel(IV) species that undergoes subsequent reactions to give an unknown oxidation product with excess bromine at pH > 6 or to give (Ni/sup III/L)/sup +/ by comproportionation with excess nickel(II) at pH > 5. The sole kinetically important oxidant is Br/sub 2/, and second-order rate constants for reaction of (Ni/sup II/L) and its protonated form (Ni/sup II/LH)/sup +/ are 2.1 x 10/sup 7/ and 7.1 x 10/sup 5/ M/sup -1/ s/sup -1/, respectively. These rate constants are in line with a rate-determining single-electron-transfer reaction, and the proposed mechanism involves formation of a transient ion pair (Ni/sup III/L/sup +/,Br/sub 2//sup -/ in which the rate of subsequent electron transfer is comparable with the rate of ion-pair dissociation. In addition, the pulse-radiolysis technique has been used to investigate the reactions of nickel(II) with Br/sub 2//sup -/ to give (Ni/sup III/L)/sup +/, and rate constants for (Ni/sup II/L) and (Ni/sup II/LH)/sup +/ are 8.5 x 10/sup 8/ and 2.7 x 10/sup 8/ M/sup -1/ S/sup -1/, respectively, at 21/sup 0/C. 34 references, 3 figures, 3 tables.

  12. Atomic physics with highly charged ions

    Energy Technology Data Exchange (ETDEWEB)

    Richard, P.

    1991-08-01

    This report discusses: One electron outer shell processes in fast ion-atom collisions; role of electron-electron interaction in two-electron processes; multi-electron processes at low energy; multi-electron processes at high energy; inner shell processes; molecular fragmentation studies; theory; and, JRM laboratory operations.

  13. Two-electron reductive carbonylation of terminal uranium(V) and uranium(VI) nitrides to cyanate by carbon monoxide.

    Science.gov (United States)

    Cleaves, Peter A; King, David M; Kefalidis, Christos E; Maron, Laurent; Tuna, Floriana; McInnes, Eric J L; McMaster, Jonathan; Lewis, William; Blake, Alexander J; Liddle, Stephen T

    2014-09-22

    Two-electron reductive carbonylation of the uranium(VI) nitride [U(Tren(TIPS))(N)] (2, Tren(TIPS)=N(CH2CH2NSiiPr3)3) with CO gave the uranium(IV) cyanate [U(Tren(TIPS))(NCO)] (3). KC8 reduction of 3 resulted in cyanate dissociation to give [U(Tren(TIPS))] (4) and KNCO, or cyanate retention in [U(Tren(TIPS))(NCO)][K(B15C5)2] (5, B15C5=benzo-15-crown-5 ether) with B15C5. Complexes 5 and 4 and KNCO were also prepared from CO and the uranium(V) nitride [{U(Tren(TIPS))(N)K}2] (6), with or without B15C5, respectively. Complex 5 can be prepared directly from CO and [U(Tren(TIPS))(N)][K(B15C5)2] (7). Notably, 7 reacts with CO much faster than 2. This unprecedented f-block reactivity was modeled theoretically, revealing nucleophilic attack of the π* orbital of CO by the nitride with activation energy barriers of 24.7 and 11.3 kcal mol(-1) for uranium(VI) and uranium(V), respectively. A remarkably simple two-step, two-electron cycle for the conversion of azide to nitride to cyanate using 4, NaN3 and CO is presented.

  14. 正离子静电加速器高压电压稳定系统的分析%Analysis of high voltage stability system of positive ion accelerator

    Institute of Scientific and Technical Information of China (English)

    姜胜南

    2001-01-01

    对正离子静电加速器的电晕放电法高压电压稳定系统进行了较为细致的分析,同时也分析了另外两种稳压方法:电子枪法和控制喷电电流法。%This article mainly analyzes the corona drain high voltage stability system of the positive ion accelerator, and introduces the other two high voltage stability methods: the electron gun method and the controlling up-charge spray current method.

  15. Effects of non-extensive electrons and positive/negative dust particles on modulational instability of dust-ion-acoustic solitary waves in non-planar geometry

    Indian Academy of Sciences (India)

    M EGHBALI; B FAROKHI; M ESLAMIFAR

    2017-01-01

    The nonlinear propagation of cylindrical and spherical dust-ion-acoustic (DIA) envelope solitary waves in unmagnetized dusty plasma consisting of dust particles with opposite polarity and non-extensive distribution of electron is investigated. By using the reductive perturbation method, the modified nonlinear Schrödinger (NLS) equation in cylindrical and spherical geometry is obtained. The modulational instability (MI) of DIA waves governed by the NLS equation is also presented. The effects of different ranges of the non-extensive parameter $q$ on the MI are studied. The growth rate of the MI is also given for different values of $q$. It is found that the basic features of the DIA waves are significantly modified by non-extensive electron distribution, polarity of the netdust-charge number density and non-planar geometry.

  16. Effects of non-extensive electrons and positive /negative dust particles on modulational instability of dust-ion-acoustic solitary waves in non-planar geometry

    Science.gov (United States)

    Eghbali, M.; Farokhi, B.; Eslamifar, M.

    2017-01-01

    The nonlinear propagation of cylindrical and spherical dust-ion-acoustic (DIA) envelope solitary waves in unmagnetized dusty plasma consisting of dust particles with opposite polarity and non-extensive distribution of electron is investigated. By using the reductive perturbation method, the modified nonlinear Schrödinger (NLS) equation in cylindrical and spherical geometry is obtained. The modulational instability (MI) of DIA waves governed by the NLS equation is also presented. The effects of different ranges of the non-extensive parameter q on the MI are studied. The growth rate of the MI is also given for different values of q. It is found that the basic features of the DIA waves are significantly modified by non-extensive electron distribution, polarity of the net dust-charge number density and non-planar geometry.

  17. Change in equilibrium position of misfit dislocations at the GaN/sapphire interface by Si-ion implantation into sapphire. II. Electron energy loss spectroscopic study

    Directory of Open Access Journals (Sweden)

    Sung Bo Lee

    2015-07-01

    Full Text Available In Part I, we have shown that the addition of Si into sapphire by ion implantationmakes the sapphire substrate elastically softer than for the undoped sapphire. The more compliant layer of the Si-implanted sapphire substrate can absorb the misfit stress at the GaN/sapphire interface, which produces a lower threading-dislocation density in the GaN overlayer. Here in Part II, based on experimental results by electron energy loss spectroscopy and a first-principle molecular orbital calculation in the literature, we suggest that the softening effect of Si results from a reduction of ionic bonding strength in sapphire (α-Al2O3 with the substitution of Si for Al.

  18. Control of TiO2 grain size and positioning in three-dimensionally ordered macroporous TiO2/C composite anodes for lithium ion batteries.

    Science.gov (United States)

    Petkovich, Nicholas D; Rudisill, Stephen G; Wilson, Benjamin E; Mukherjee, Anwesha; Stein, Andreas

    2014-01-21

    After several high-profile incidents that raised concerns about the hazards posed by lithium ion batteries, research has accelerated in the development of safer electrodes and electrolytes. One anode material, titanium dioxide (TiO2), offers a distinct safety advantage in comparison to commercialized graphite anodes, since TiO2 has a higher potential for lithium intercalation. In this article, we present two routes for the facile, robust synthesis of nanostructured TiO2/carbon composites for use as lithium ion battery anodes. These materials are made using a combination of colloidal crystal templating and surfactant templating, leading to the first report of a three-dimensionally ordered macroporous TiO2/C composite with mesoporous walls. Control over the size and location of the TiO2 crystallites in the composite (an often difficult task) has been achieved by changing the chelating agent in the precursor. Adjustment of the pyrolysis temperature has also allowed us to strike a balance between the size of the TiO2 crystallites and the degree of carbonization. Using these pathways to optimize electrochemical performance, the primarily macroporous TiO2/C composites can attain a capacity of 171 mAh/g at a rate of 1 C. Additionally, the carbon in these composites can function as a secondary template for high-surface-area, macroporous TiO2 with disordered mesoporous voids. Combining the advantages of a nanocrystalline framework and significant open porosity, the macroporous TiO2 delivers a stable capacity (>170 mAh/g at a rate of C/2) over 100 cycles.

  19. Combined Electron Paramagnetic Resonance and Atomic Absorption Spectroscopy/Inductively Coupled Plasma Analysis As Diagnostics for Soluble Manganese Species from Mn-Based Positive Electrode Materials in Li-ion Cells.

    Science.gov (United States)

    Shilina, Yuliya; Ziv, Baruch; Meir, Aviv; Banerjee, Anjan; Ruthstein, Sharon; Luski, Shalom; Aurbach, Doron; Halalay, Ion C

    2016-04-19

    Manganese dissolution from positive electrodes significantly reduces the durability of lithium-ion batteries. Knowledge of dissolution rates and oxidation states of manganese ions is essential for designing effective mitigation measures for this problem. We show that electron paramagnetic resonance (EPR) combined with atomic absorption spectroscopy (AAS) or inductively coupled plasma (ICP) can determine both manganese dissolution rates and relative Mn(3+) amounts, by comparing the correlation between EPR and AAS/ICP data for Mn(2+) standards with that for samples containing manganese cations dissolved from active materials (LiMn2O4 (LMO) and LiNi(0.5)Mn(1.5)O4 (LNMO)) into the same electrolyte solution. We show that Mn(3+), and not Mn(2+), is the dominant species dissolved from LMO, while Mn(2+) is predominant for LNMO. Although the dissolution rate of LMO varies significantly for the two investigated materials, due to particle morphology and the presence of Cr in one of them, the Mn speciation appears independent of such details. Thus, the relative abundance of dissolved manganese ions in various oxidation states depends mainly on the overall chemical identity of the active material (LMO vs LNMO). We demonstrate the relevance of our methodology for practical batteries with data for graphite-LMO cells after high-temperature cycling or stand at 4.2 V.

  20. Pd(II)-catalyzed cascade Wacker-Heck reaction: chemoselective coupling of two electron-deficient reactants.

    Science.gov (United States)

    Silva, Franck; Reiter, Maud; Mills-Webb, Rebecca; Sawicki, Marcin; Klär, Daniel; Bensel, Nicolas; Wagner, Alain; Gouverneur, Véronique

    2006-10-27

    A novel palladium(II)-catalyzed oxy-carbopalladation process was developed allowing for the orchestrated union of hydroxy ynones with ethyl acrylate, two electron-deficient reactants. With beta-hydroxy ynones, this cascade Wacker-Heck process gave access to highly functionalized tri- or tetrasubstituted dihydropyranones featuring an unusual dienic system. For diastereomerically pure and for enantioenriched beta-hydroxyynones, these reactions proceed without affecting the stereochemical integrity of the existing stereocenters. In addition, tetrasubstituted furanones can be prepared when alpha-hydroxyynones and ethyl acrylate are used as starting materials. The dihydropyranones and furanones obtained upon cyclization are novel compounds, but structurally related carbohydrate derivatives featuring a similar dienic system have been used as starting materials for the construction of polyannulated products, suggesting that these cascade Pd(II)-mediated oxidative heterocyclizations are of value for various synthetic applications.

  1. Effect of Temperature and Pressure on Correlation Energy in a Triplet State of a Two Electron Spherical Quantum Dot

    Directory of Open Access Journals (Sweden)

    A. Rejo Jeice

    2013-09-01

    Full Text Available The combined effect of hydrostatic pressure and temperature on correlation energy in a triplet state of two electron spherical quantum dot with square well potential is computed. The result is presented taking GaAs dot as an example. Our result shows the correlation energies are inegative in the triplet state contrast to the singlet state ii it increases with increase in pressure  iiifurther decreases due to the application  of temperature iv it approaches zero as dot size approaches infinity and v it contribute 10% decrement in total confined energy to the narrow dots. All the calculations have been carried out with finite models and the results are compared with existing literature.

  2. [Cu13 {S2 CN(n) Bu2 }6 (acetylide)4 ](+) : A Two-Electron Superatom.

    Science.gov (United States)

    Chakrahari, Kiran Kumarvarma; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C W

    2016-11-14

    The first structurally characterized copper cluster with a Cu13 centered cuboctahedral arrangement, a model of the bulk copper fcc structure, was observed in [Cu13 (S2 CN(n) Bu2 )6 (C≡CR)4 ](PF6 ) (R=C(O)OMe, C6 H4 F) nanoclusters. Four of the eight triangular faces of the cuboctahedron are capped by acetylide groups in μ3  fashion, and each of the six square faces is bridged by a dithiolate ligand in μ2 ,μ2 fashion, which leads to a truncated tetrahedron of twelve sulfur atoms. DFT calculations are fully consistent with the description of these Cu13 clusters as two-electron superatoms, that is, a [Cu13 ](11+) core passivated by ten monoanionic ligands, with an a1 HOMO containing two 1S jellium electrons.

  3. Dual mode ion mobility spectrometer and method for ion mobility spectrometry

    Science.gov (United States)

    Scott, Jill R [Idaho Falls, ID; Dahl, David A [Idaho Falls, ID; Miller, Carla J [Idaho Falls, ID; Tremblay, Paul L [Idaho Falls, ID; McJunkin, Timothy R [Idaho Falls, ID

    2007-08-21

    Ion mobility spectrometer apparatus may include an ion interface that is operable to hold positive and negative ions and to simultaneously release positive and negative ions through respective positive and negative ion ports. A first drift chamber is operatively associated with the positive ion port of the ion interface and encloses an electric field therein. A first ion detector operatively associated with the first drift chamber detects positive ions from the first drift chamber. A second drift chamber is operatively associated with the negative ion port of the ion interface and encloses an electric field therein. A second ion detector operatively associated with the second drift chamber detects negative ions from said second drift chamber.

  4. Compact two-electron wave function for bond dissociation and Van der Waals interactions: A natural amplitude assessment

    Energy Technology Data Exchange (ETDEWEB)

    Giesbertz, Klaas J. H. [Theoretical Chemistry, Faculty of Exact Sciences, VU University, De Boelelaan 1083, 1081 HV Amsterdam (Netherlands); Leeuwen, Robert van [Department of Physics, Nanoscience Center, University of Jyväskylä, P.O. Box 35, 40014 Jyväskylä, Survontie 9, Jyväskylä (Finland)

    2014-05-14

    Electron correlations in molecules can be divided in short range dynamical correlations, long range Van der Waals type interactions, and near degeneracy static correlations. In this work, we analyze for a one-dimensional model of a two-electron system how these three types of correlations can be incorporated in a simple wave function of restricted functional form consisting of an orbital product multiplied by a single correlation function f (r{sub 12}) depending on the interelectronic distance r{sub 12}. Since the three types of correlations mentioned lead to different signatures in terms of the natural orbital (NO) amplitudes in two-electron systems, we make an analysis of the wave function in terms of the NO amplitudes for a model system of a diatomic molecule. In our numerical implementation, we fully optimize the orbitals and the correlation function on a spatial grid without restrictions on their functional form. Due to this particular form of the wave function, we can prove that none of the amplitudes vanishes and moreover that it displays a distinct sign pattern and a series of avoided crossings as a function of the bond distance in agreement with the exact solution. This shows that the wave function ansatz correctly incorporates the long range Van der Waals interactions. We further show that the approximate wave function gives an excellent binding curve and is able to describe static correlations. We show that in order to do this the correlation function f (r{sub 12}) needs to diverge for large r{sub 12} at large internuclear distances while for shorter bond distances it increases as a function of r{sub 12} to a maximum value after which it decays exponentially. We further give a physical interpretation of this behavior.

  5. Experimental study of particle formation by ion-ion recombination

    Science.gov (United States)

    Nagato, Kenkichi; Nakauchi, Masataka

    2014-10-01

    Particle formation by ion-ion recombination has been studied using an ion-ion recombination drift tube (IIR-DT). IIR-DT uses two DC corona ionizers to produce positive and negative ions at the ends of the drift tube. The ions of different polarity move in opposite directions along the electric field in the drift tube. We observed significant particle formation using ions generated in purified air containing H2O, SO2, and NH3. Particle formation was suppressed when no drift field was applied. We also observed few particles when we used a single discharge (positive or negative only). These results clearly show that particle formation observed in the IIR-DT was caused by nucleation by ion-ion recombination. Positive and negative ion species produced by corona ionizers were investigated using an atmospheric pressure ionization mass spectrometer. The ions involved in the particle formation were suggested to include H3O+(H2O)n and NH4+(H2O)n for positive ions and sulfur-based ions such as SO5-, SO5-NO2, and HSO4- for negative ions.

  6. Detection of Natural Resistance-Associated Substitutions by Ion Semiconductor Technology in HCV1b Positive, Direct-Acting Antiviral Agents-Naïve Patients

    Science.gov (United States)

    Marascio, Nadia; Pavia, Grazia; Strazzulla, Alessio; Dierckx, Tim; Cuypers, Lize; Vrancken, Bram; Barreca, Giorgio Settimo; Mirante, Teresa; Malanga, Donatella; Oliveira, Duarte Mendes; Vandamme, Anne-Mieke; Torti, Carlo; Liberto, Maria Carla; Focà, Alfredo

    2016-01-01

    Naturally occurring resistance-associated substitutions (RASs) can negatively impact the response to direct-acting antivirals (DAAs) agents-based therapies for hepatitis C virus (HCV) infection. Herein, we set out to characterize the RASs in the HCV1b genome from serum samples of DAA-naïve patients in the context of the SINERGIE (South Italian Network for Rational Guidelines and International Epidemiology, 2014) project. We deep-sequenced the NS3/4A protease region of the viral population using the Ion Torrent Personal Genome Machine, and patient-specific majority rule consensus sequence summaries were constructed with a combination of freely available next generation sequencing data analysis software. We detected NS3/4A protease major and minor variants associated with resistance to boceprevir (V36L), telaprevir (V36L, I132V), simeprevir (V36L), and grazoprevir (V36L, V170I). Furthermore, we sequenced part of HCV NS5B polymerase using Sanger-sequencing and detected a natural RAS for dasabuvir (C316N). This mutation could be important for treatment strategies in cases of previous therapy failure. PMID:27618896

  7. Detection of Natural Resistance-Associated Substitutions by Ion Semiconductor Technology in HCV1b Positive, Direct-Acting Antiviral Agents-Naïve Patients.

    Science.gov (United States)

    Marascio, Nadia; Pavia, Grazia; Strazzulla, Alessio; Dierckx, Tim; Cuypers, Lize; Vrancken, Bram; Barreca, Giorgio Settimo; Mirante, Teresa; Malanga, Donatella; Oliveira, Duarte Mendes; Vandamme, Anne-Mieke; Torti, Carlo; Liberto, Maria Carla; Focà, Alfredo; The Sinergie-Umg Study Group

    2016-08-27

    Naturally occurring resistance-associated substitutions (RASs) can negatively impact the response to direct-acting antivirals (DAAs) agents-based therapies for hepatitis C virus (HCV) infection. Herein, we set out to characterize the RASs in the HCV1b genome from serum samples of DAA-naïve patients in the context of the SINERGIE (South Italian Network for Rational Guidelines and International Epidemiology, 2014) project. We deep-sequenced the NS3/4A protease region of the viral population using the Ion Torrent Personal Genome Machine, and patient-specific majority rule consensus sequence summaries were constructed with a combination of freely available next generation sequencing data analysis software. We detected NS3/4A protease major and minor variants associated with resistance to boceprevir (V36L), telaprevir (V36L, I132V), simeprevir (V36L), and grazoprevir (V36L, V170I). Furthermore, we sequenced part of HCV NS5B polymerase using Sanger-sequencing and detected a natural RAS for dasabuvir (C316N). This mutation could be important for treatment strategies in cases of previous therapy failure.

  8. Detection of Natural Resistance-Associated Substitutions by Ion Semiconductor Technology in HCV1b Positive, Direct-Acting Antiviral Agents-Naïve Patients

    Directory of Open Access Journals (Sweden)

    Nadia Marascio

    2016-08-01

    Full Text Available Naturally occurring resistance-associated substitutions (RASs can negatively impact the response to direct-acting antivirals (DAAs agents-based therapies for hepatitis C virus (HCV infection. Herein, we set out to characterize the RASs in the HCV1b genome from serum samples of DAA-naïve patients in the context of the SINERGIE (South Italian Network for Rational Guidelines and International Epidemiology, 2014 project. We deep-sequenced the NS3/4A protease region of the viral population using the Ion Torrent Personal Genome Machine, and patient-specific majority rule consensus sequence summaries were constructed with a combination of freely available next generation sequencing data analysis software. We detected NS3/4A protease major and minor variants associated with resistance to boceprevir (V36L, telaprevir (V36L, I132V, simeprevir (V36L, and grazoprevir (V36L, V170I. Furthermore, we sequenced part of HCV NS5B polymerase using Sanger-sequencing and detected a natural RAS for dasabuvir (C316N. This mutation could be important for treatment strategies in cases of previous therapy failure.

  9. Microfabricated ion trap array

    Science.gov (United States)

    Blain, Matthew G.; Fleming, James G.

    2006-12-26

    A microfabricated ion trap array, comprising a plurality of ion traps having an inner radius of order one micron, can be fabricated using surface micromachining techniques and materials known to the integrated circuits manufacturing and microelectromechanical systems industries. Micromachining methods enable batch fabrication, reduced manufacturing costs, dimensional and positional precision, and monolithic integration of massive arrays of ion traps with microscale ion generation and detection devices. Massive arraying enables the microscale ion traps to retain the resolution, sensitivity, and mass range advantages necessary for high chemical selectivity. The reduced electrode voltage enables integration of the microfabricated ion trap array with on-chip circuit-based rf operation and detection electronics (i.e., cell phone electronics). Therefore, the full performance advantages of the microfabricated ion trap array can be realized in truly field portable, handheld microanalysis systems.

  10. Separation of mono- and di-PEGylate of exenatide and resolution of positional isomers of mono-PEGylates by preparative ion exchange chromatography.

    Science.gov (United States)

    Nguyen, Ngoc-Thanh Thi; Lee, Jae Sun; Yun, Soi; Lee, E K

    2016-07-29

    Exenatide is a synthetic version of the 39-mer peptide of Exendin-4, which is an FDA-approved therapeutic against Type II diabetes mellitus. However, exenatide has a very short in-serum half-life and PEGylation have been performed to improve its in-serum stability. PEGylation often yields multivalent binding to non-specific residues, and the desired species should be carefully separated by chromatographies. In this study, we first devised an aqueous-phase, two-step PEGylation process. This consists of thiolation of Lys 12 and 27 residues followed by attachment of PEG-maleimide (10kD) to thiol groups. This process yields various species: mono-PEGylates with positional isomers, di-PEGylate, and other higher MW substances. A prep-grade cationic exchange chromatography (HiTrap SP) at pH 3.0 partially separated mono- and di-PEGylates based on the molar ratio of conjugated PEG and peptide and thus molecular weight of the conjugates. To further investigate the chromatographic separation of positional isomers of mono-PEGylates, we prepared two kinds of exenatide analogs by point mutation; K12C and K27C. Each analog was mono-PEGylated with very high yield (>95%). When a mixture of the two positional isomers of mono-PEGylates was applied to HiTrap SP chromatography, K12C-PEGylate and K27C-PEGylate eluted separately at 0.22M and 0.33M NaCl, respectively. When the proportions of acid and its conjugate base of the amino acid residues adjacent to the PEGylation site at pH 3.0 were analyzed, K27C-PEGylate shows stronger positive charge than K12C-PEGylate, and we propose the residence time difference between the two mono-PEGylates could be due to the charge difference. ELISA result shows that the immuno-binding activity of both analogs and their mono-PEGylates are well maintained. Furthermore, both mono-PEGylates of the analogs show higher than 50-fold improved anti-trypsin stability. We expect that mono-PEGylates of the exenatide analogs are alternatives to the conventional C40

  11. An ion-optical bench for testing ion source lenses

    Science.gov (United States)

    Stoffels, J. J.; Ells, D. R.

    1988-06-01

    An ion-optical bench has been designed and constructed to obtain experimental data on the focusing properties of ion lenses in three dimensions. The heart of the apparatus is a position-sensitive detector (PSD) that gives output signals proportional to the x and y positions of each ion impact. The position signals can be displayed on an oscilloscope screen and analyzed by a two-parameter pulse-height analyzer, thereby giving a visual picture of the ion beam cross section and intensity distribution. The PSD itself is mounted on a track and is movable during operation from a position immediately following the ion lens to 30 cm away. This enables the rapid collection of accurate data on the intensity distribution and divergence angles of ions leaving the source lens. Examples of ion lens measurements are given.

  12. Strong-field absorption and emission of radiation in two-electron systems calculated with time-dependent natural orbitals

    CERN Document Server

    Brics, M; Bauer, D

    2016-01-01

    Recently introduced time-dependent renormalized-natural-orbital theory (TDRNOT) is based on the equations of motion for the so-called natural orbitals, i.e., the eigenfunctions of the one-body reduced density matrix. Exact TDRNOT can be formulated for any time-dependent two-electron system in either spin configuration. In this paper, the method is tested against high-order harmonic generation (HHG) and Fano profiles in absorption spectra with the help of a numerically exactly solvable one-dimensional model He atom, starting from the spin-singlet ground state. Such benchmarks are challenging because Fano profiles originate from transitions involving autoionizing states, and HHG is a strong-field phenomenon well beyond linear response. TDRNOT with just one natural orbital per spin in the helium spin-singlet case is equivalent to time-dependent Hartree-Fock or time-dependent density functional theory (TDDFT) in exact exchange-only approximation. It is not unexpected that TDDFT fails in reproducing Fano profiles ...

  13. Time-dependent reduced density matrix functional theory applied to laser-driven, correlated two-electron dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Brics, Martins; Kapoor, Varun; Bauer, Dieter [Institut fuer Physik, Universitaet Rostock, 18051 Rostock (Germany)

    2013-07-01

    Time-dependent density functional theory (TDDFT) with known and practicable exchange-correlation potentials does not capture highly correlated electron dynamics such as single-photon double ionization, autoionization, or nonsequential ionization. Time-dependent reduced density matrix functional theory (TDRDMFT) may remedy these problems. The key ingredients in TDRDMFT are the natural orbitals (NOs), i.e., the eigenfunctions of the one-body reduced density matrix (1-RDM), and the occupation numbers (OCs), i.e., the respective eigenvalues. The two-body reduced density matrix (2-RDM) is then expanded in NOs, and equations of motion for the NOs can be derived. If the expansion coefficients of the 2-RDM were known exactly, the problem at hand would be solved. In practice, approximations have to be made. We study the prospects of TDRDMFT following a top-down approach. We solve the exact two-electron time-dependent Schroedinger equation for a model Helium atom in intense laser fields in order to study highly correlated phenomena such as the population of autoionizing states or single-photon double ionization. From the exact wave function we calculate the exact NOs, OCs, the exact expansion coefficients of the 2-RDM, and the exact potentials in the equations of motion. In that way we can identify how many NOs and which level of approximations are necessary to capture such phenomena.

  14. Multi-mycotoxin Analysis of Finished Grain and Nut Products Using Ultrahigh-Performance Liquid Chromatography and Positive Electrospray Ionization-Quadrupole Orbital Ion Trap High-Resolution Mass Spectrometry.

    Science.gov (United States)

    Liao, Chia-Ding; Wong, Jon W; Zhang, Kai; Yang, Paul; Wittenberg, James B; Trucksess, Mary W; Hayward, Douglas G; Lee, Nathaniel S; Chang, James S

    2015-09-23

    Ultrahigh-performance liquid chromatography using positive electrospray ionization and quadrupole orbital ion trap high-resolution mass spectrometry was evaluated for analyzing mycotoxins in finished cereal and nut products. Optimizing the orbital ion trap mass analyzer in full-scan mode using mycotoxin-fortified matrix extracts gave mass accuracies, δM, of mycotoxin-dependent, ranging from 0.02 to 11.6 μg/kg. Mean recoveries and standard deviations for mycotoxins from acetonitrile/water extraction at their relevant fortification levels were 91 ± 10, 94 ± 10, 98 ± 12, 91 ± 13, 99 ± 15, and 93 ± 17% for corn, rice, wheat, almond, peanut, and pistachio, respectively. Nineteen mycotoxins with concentrations ranging from 0.3 (aflatoxin B1 in peanut and almond) to 1175 μg/kg (fumonisin B1 in corn flour) were found in 35 of the 70 commercial grain and nut samples surveyed. Mycotoxins could be identified at δM mycotoxins in finished grain and nut products.

  15. LiNi 0.8 Co 0.2 O 2 -based high power lithium-ion battery positive electrodes analyzed by x-ray photoelectron spectroscopy: 2. Following 3 formation cycles

    Energy Technology Data Exchange (ETDEWEB)

    Haasch, Richard T.; Abraham, Daniel A.

    2016-12-01

    High-power lithium-ion batteries are rapidly replacing the nickel metal hydride batteries currently used for energy storage in hybrid electric vehicles. Widespread commercialization of these batteries for vehicular applications is, however, limited by calendar-life performance, thermal abuse characteristics, and cost. The Advanced Technology Development Program was established by the U.S. Department of Energy to address these limitations. An important objective of this program was the development and application of diagnostic tools that provide unique ways to investigate the phenomena that limit lithium-ion cell life, performance, and safety characteristics. This report introduces a set of six Surface Science Spectra xray photoelectron spectroscopy (XPS) comparison records of data collected from positive electrodes (cathode) harvested from cylindrically wound, 18650-type, 1 A h capacity cells. The cathodes included in this study are (1) fresh, (2) following three formation cycles, (3) following calendar-life test for 12 weeks at 40 C, 60% state-of-charge (SOC), (4) following calendar-life test for 8 weeks at 50 C, 60% SOC, (5) following calendar-life test for 8 weeks at 60 C, 60% SOC, and (6) following calendar-life test for 2 weeks at 70 C, 60% SOC.

  16. Introduction to a series of LiNi 0.8 Co 0.2 O 2 -based high-power lithium-ion battery positive electrodes analyzed by x-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Haasch, Richard T.; Abraham, Daniel A.

    2016-12-01

    High-power lithium-ion batteries are rapidly replacing the nickel metal hydride batteries currently used for energy storage in hybrid electric vehicles. Widespread commercialization of these batteries for vehicular applications is, however, limited by calendar-life performance, thermal abuse characteristics, and cost. The Advanced Technology Development Program was established by the U.S. Department of Energy to address these limitations. An important objective of this program was the development and application of diagnostic tools that provide unique ways to investigate the phenomena that limit lithium-ion cell life, performance, and safety characteristics. This report introduces a set of six Surface Science Spectra xray photoelectron spectroscopy (XPS) comparison records of data collected from positive electrodes (cathode) harvested from cylindrically wound, 18650-type, 1 A h capacity cells. The cathodes included in this study are (1) fresh, (2) following three formation cycles, (3) following calendar-life test for 12 weeks at 40 C, 60% state-of-charge (SOC), (4) following calendar-life test for 8 weeks at 50 C, 60% SOC, (5) following calendar-life test for 8 weeks at 60 C, 60% SOC, and (6) following calendar-life test for 2 weeks at 70 C, 60% SOC.

  17. LiNi 0.8 Co 0.2 O 2 -based high power lithium-ion battery positive electrodes analyzed by x-ray photoelectron spectroscopy: 1. Fresh electrode

    Energy Technology Data Exchange (ETDEWEB)

    Haasch, Richard T.; Abraham, Daniel A.

    2016-12-01

    High-power lithium-ion batteries are rapidly replacing the nickel metal hydride batteries currently used for energy storage in hybrid electric vehicles. Widespread commercialization of these batteries for vehicular applications is, however, limited by calendar-life performance, thermal abuse characteristics, and cost. The Advanced Technology Development Program was established by the U.S. Department of Energy to address these limitations. An important objective of this program was the development and application of diagnostic tools that provide unique ways to investigate the phenomena that limit lithium-ion cell life, performance, and safety characteristics. This report introduces a set of six Surface Science Spectra xray photoelectron spectroscopy (XPS) comparison records of data collected from positive electrodes (cathode) harvested from cylindrically wound, 18650-type, 1 A h capacity cells. The cathodes included in this study are (1) fresh, (2) following three formation cycles, (3) following calendar-life test for 12 weeks at 40 C, 60% state-of-charge (SOC), (4) following calendar-life test for 8 weeks at 50 C, 60% SOC, (5) following calendar-life test for 8 weeks at 60 C, 60% SOC, and (6) following calendar-life test for 2 weeks at 70 C, 60% SOC.

  18. Li distribution characterization in Li-ion batteries positive electrodes containing LixNi0.8Co0.15Al0.05O2 secondary particles (0.75 ⩽ x ⩽ 1.0)

    Science.gov (United States)

    Mima, K.; Gonzalez-Arrabal, R.; Azuma, H.; Yamazaki, A.; Okuda, C.; Ukyo, Y.; Sawada, H.; Fujita, K.; Kato, Y.; Perlado, J. M.; Nakai, S.

    2012-11-01

    The elemental distribution of as-received (non-charged) and charged Li-ion battery positive electrodes containing LixNi0.8Co0.15Al0.05O2 (0.75 ⩽ x ⩽ 1.0) microparticles as active material is characterized by combining μ-PIXE and μ-PIGE techniques. PIGE measurements evidence that the Li distribution is inhomogeneous (existence of Li-rich and Li-depleted regions) in as-received electrodes corresponding with the distribution of secondary particles but it is homogeneous within the studied individual secondary micro-particles. The dependence of the Li distribution on electrode thickness and on charging conditions is characterized by measuring the Li distribution maps in specifically fabricated cross-sectional samples. These data show that decreasing the electrode thickness down to 35 μm and charging the batteries at slow rate give rise to more homogeneous Li depth profiles.

  19. Device for separating non-ions from ions

    Energy Technology Data Exchange (ETDEWEB)

    Ibrahim, Yehia M.; Smith, Richard D.

    2017-01-31

    A device for separating non-ions from ions is disclosed. The device includes a plurality of electrodes positioned around a center axis of the device and having apertures therein through which the ions are transmitted. An inner diameter of the apertures varies in length. At least a portion of the center axis between the electrodes is non-linear.

  20. The influence of cycling temperature and cycling rate on the phase specific degradation of a positive electrode in lithium ion batteries: A post mortem analysis

    Science.gov (United States)

    Darma, Mariyam Susana Dewi; Lang, Michael; Kleiner, Karin; Mereacre, Liuda; Liebau, Verena; Fauth, Francois; Bergfeldt, Thomas; Ehrenberg, Helmut

    2016-09-01

    The influence of cycling temperatures and cycling rates on the cycling stability of the positive electrode (cathode) of commercial batteries are investigated. The cathode is a mixture of LiMn2O4 (LMO), LiNi0.5Co0.2Mn0.3O2 (NCM) and LiNi0.8Co0.15Al0.05O2 (NCA). It is found that increasing the cycling temperature from 25 °C to 40 °C is detrimental to the long term cycling stability of the cathode. Contrastingly, the improved cycling stability is observed for the cathodes cycled at higher charge/discharge rate (2C/3C instead of 1C/2C). The microstructure analysis by X-ray powder diffraction reveals that a significant capacity fading and an increased overvoltage is observed for NCM and NCA in all the fatigued cathodes. After high number of cycling (above 1500 cycles), NCM becomes partially inactive. In contrast to NCM and NCA, LMO shows a good cycling stability at 25 °C. A pronounced degradation of LMO is only observed for the fatigued cathodes cycled at 40 °C. The huge capacity losses of NCM and NCA are most likely because the blended cathodes were cycled up to 4.12 V vs. the graphite anode during the cycle-life test (corresponds to 4.16 V vs. Li+/Li); which is beyond the stability limit of the layered oxides below 4.05 V vs. Li+/Li.

  1. Ion-Ion Neutralization.

    Science.gov (United States)

    1980-12-31

    plasma were identified using a downstream quadrupole mass spectrometer. In these experimento it is a simple matter to establish H+(H 2 0):f as the...pressure as predicted by the Thomson t2rnary mechanism whicK hzr been suownr to be valid experimentally at hiTh rrsurs (,han and Peron, 1:EI4 hereafter t...of NO , NO2 ions in various gases and the ternary recombination coefficients of these ions in the higher pres:;ure ( Thomson ) re"ie. Equation (5) cr>n

  2. Two-electron photo-oxidation of betanin on titanium dioxide and potential for improved dye-sensitized solar energy conversion

    OpenAIRE

    Banerji, N.; Hayes, S. C.; Knorr, Fritz J.; Melamen, Deborah J.; Mchale, Jeanne L.; Marchioro, Arianna; Moser, Jacques-Edouard

    2014-01-01

    The plant pigment betanin is investigated as a dye-sensitizer on TiO2 with regard to its potential to undergo two- electron oxidation following one-photon excitation. Electrochemical, spectroelectrochemical and transient absorption measurements provide evidence for two-electron proton-coupled photo-oxidation leading to a quinone methide interme- diate which rearranges to 2-decarboxy-2,3-dehydrobetanin. Time-resolved spectroscopy measurements of betanin on nanocrystalline TiO2 and ZrO2 films w...

  3. Two-electron photo-oxidation of betanin on titanium dioxide and potential for improved dye-sensitized solar energy conversion

    OpenAIRE

    Knorr, Fritz J.; Malamen, Deborah J.; Mchale, Jeanne L.; Marchioro, Arianna; Moser, Jacques-Edouard

    2014-01-01

    The plant pigment betanin is investigated as a dye-sensitizer on TiO2 with regard to its potential to undergo two-electron oxidation following one-photon excitation. Electrochemical, spectroelectrochemical and transient absorption measurements provide evidence for two-electron proton-coupled photo-oxidation leading to a quinone methide intermediate which rearranges to 2-decarboxy-2,3-dehydrobetanin. Time-resolved spectroscopy measurements of betanin on nanocrystalline TiO2 and ZrO2 films were...

  4. Two-electron transfer and ionization mechanism in 80-keV/u Ne8 + on He collisions

    Science.gov (United States)

    Zhang, R. T.; Feng, W. T.; Zhu, X. L.; Zhang, S. F.; Guo, D. L.; Gao, Y.; Qian, D. B.; Xu, S.; Yan, S. C.; Zhang, P.; Huang, Z. K.; Wang, H. B.; Hai, B.; Zhao, D. M.; Ma, X.

    2016-03-01

    Autoionization decay from doubly excited states of Ne6 +[1 s23 l n l (n =3 ,4 ,5 )] (symmetric configurations) as well as the Coster-Kronig transition from doubly excited states of Ne6 +[1 s22 p n l (n ⩾7 ) ] (asymmetric configurations) are observed in the transfer ionization reaction channel of 80 keV/u Ne8 +-He collisions. It has been predicted that the formation of symmetric configurations results from uncorrelated double-electron capture processes [Z. Chen and C. D. Lin, Phys. Rev. A 48, 1298 (1993), 10.1103/PhysRevA.48.1298], and the formation of asymmetric configurations probably results from correlated double-electron capture caused by the dynamical electron-correlation effects which are attributed to small internuclear distances. However, previous experimental measurements were not able to obtain information about the dependence on internuclear distance which can be reflected in the transversal recoil-ion momentum. In this work, we measure the recoil-ion momentum in coincidence with the ejected electron velocity and find that the observed transverse recoil-ion momentum is smaller for the formation of symmetric Ne6 +[1 s23 l n l (n =3 ,4 ,5 ) ] states than the formation of asymmetric Ne6 +[1 s22 p n l (n ⩾7 ) ] states. Since large momentum transfer occurs for small internuclear distances (strong electron-electron interactions) and small momentum transfer occurs for large internuclear distances (weak electron-electron interactions), the results indicate that dynamical electron correlation is important for the formation of the asymmetric states.

  5. ION GUN

    Science.gov (United States)

    Dandl, R.A.

    1961-10-24

    An ion gun is described for the production of an electrically neutral ionized plasma. The ion gun comprises an anode and a cathode mounted in concentric relationship with a narrow annulus between. The facing surfaces of the rear portions of the anode and cathode are recessed to form an annular manifold. Positioned within this manifold is an annular intermediate electrode aligned with the an nulus between the anode and cathode. Gas is fed to the manifold and an arc discharge is established between the anode and cathode. The gas is then withdrawn from the manifold through the annulus between the anode and cathode by a pressure differential. The gas is then ionized by the arc discharge across the annulus. The ionized gas is withdrawn from the annulus by the combined effects of the pressure differential and a collimating magnetic field. In a 3000 gauss magnetic field, an arc voltage of 1800 volts, and an arc current of 0.2 amp, a plasma of about 3 x 10/sup 11/ particles/cc is obtained. (AEC)

  6. Peristaltic ion source

    Energy Technology Data Exchange (ETDEWEB)

    Brown, I.G.; Anders, A.; Anders, S.; Dickinson, M.R.; MacGill, R.A.

    1995-08-01

    Conventional ion sources generate energetic ion beams by accelerating the plasma-produced ions through a voltage drop at the extractor, and since it is usual that the ion beam is to propagate in a space which is at ground potential, the plasma source is biased at extractor voltage. For high ion beam energy the plasma source and electrical systems need to be raised to high voltage, a task that adds considerable complexity and expense to the total ion source system. The authors have developed a system which though forming energetic ion beams at ground potential as usual, operates with the plasma source and electronics at ground potential also. Plasma produced by a nearby source streams into a grided chamber that is repetitively pulsed from ground to high positive potential, sequentially accepting plasma into its interior region and ejecting it energetically. They call the device a peristaltic ion source. In preliminary tests they`ve produced nitrogen and titanium ion beams at energies from 1 to 40 keV. Here they describe the philosophy behind the approach, the test embodiment that they have made, and some preliminary results.

  7. Theoretical analysis of the two-electron transfer reaction and experimental studies with surface-confined cytochrome c peroxidase using large-amplitude Fourier transformed AC voltammetry.

    Science.gov (United States)

    Stevenson, Gareth P; Lee, Chong-Yong; Kennedy, Gareth F; Parkin, Alison; Baker, Ruth E; Gillow, Kathryn; Armstrong, Fraser A; Gavaghan, David J; Bond, Alan M

    2012-06-26

    A detailed analysis of the cooperative two-electron transfer of surface-confined cytochrome c peroxidase (CcP) in contact with pH 6.0 phosphate buffer solution has been undertaken. This investigation is prompted by the prospect of achieving a richer understanding of this biologically important system via the employment of kinetically sensitive, but background devoid, higher harmonic components available in the large-amplitude Fourier transform ac voltammetric method. Data obtained from the conventional dc cyclic voltammetric method are also provided for comparison. Theoretical considerations based on both ac and dc approaches are presented for cases where reversible or quasi-reversible cooperative two-electron transfer involves variation in the separation of their reversible potentials, including potential inversion (as described previously for solution phase studies), and reversibility of the electrode processes. Comparison is also made with respect to the case of a simultaneous two-electron transfer process that is unlikely to occur in the physiological situation. Theoretical analysis confirms that the ac higher harmonic components provide greater sensitivity to the various mechanistic nuances that can arise in two-electron surface-confined processes. Experimentally, the ac perturbation with amplitude and frequency of 200 mV and 3.88 Hz, respectively, was employed to detect the electron transfer when CcP is confined to the surface of a graphite electrode. Simulations based on cooperative two-electron transfer with the employment of reversible potentials of 0.745 ± 0.010 V, heterogeneous electron transfer rate constants of between 3 and 10 s(-1) and charge transfer coefficients of 0.5 for both processes fitted experimental data for the fifth to eighth ac harmonics. Imperfections in theory-experiment comparison are consistent with kinetic and thermodynamic dispersion and other nonidealities not included in the theory used to model the voltammetry of surface

  8. Nonlinear dust-ion-acoustic waves in a multi-ion plasma with trapped electrons

    Indian Academy of Sciences (India)

    S S Duha; B Shikha; A A Mamun

    2011-08-01

    A dusty multi-ion plasma system consisting of non-isothermal (trapped) electrons, Maxwellian (isothermal) light positive ions, warm heavy negative ions and extremely massive charge fluctuating stationary dust have been considered. The dust-ion-acoustic solitary and shock waves associated with negative ion dynamics, Maxwellian (isothermal) positive ions, trapped electrons and charge fluctuating stationary dust have been investigated by employing the reductive perturbation method. The basic features of such dust-ion-acoustic solitary and shock waves have been identified. The implications of our findings in space and laboratory dusty multi-ion plasmas are discussed.

  9. Ion mobility sensor system

    Science.gov (United States)

    Xu, Jun; Watson, David B.; Whitten, William B.

    2013-01-22

    An ion mobility sensor system including an ion mobility spectrometer and a differential mobility spectrometer coupled to the ion mobility spectrometer. The ion mobility spectrometer has a first chamber having first end and a second end extending along a first direction, and a first electrode system that generates a constant electric field parallel to the first direction. The differential mobility spectrometer includes a second chamber having a third end and a fourth end configured such that a fluid may flow in a second direction from the third end to the fourth end, and a second electrode system that generates an asymmetric electric field within an interior of the second chamber. Additionally, the ion mobility spectrometer and the differential mobility spectrometer form an interface region. Also, the first end and the third end are positioned facing one another so that the constant electric field enters the third end and overlaps the fluid flowing in the second direction.

  10. Multicusp sources for ion beam lithography applications

    Energy Technology Data Exchange (ETDEWEB)

    Leung, K.N.; Herz, P.; Kunkel, W.B.; Lee, Y.; Perkins, L.; Pickard, D.; Sarstedt, M.; Weber, M.; Williams, M.D.

    1995-05-01

    Application of the multicusp source for Ion Projection Lithography is described. It is shown that the longitudinal energy spread of the positive ions at the extraction aperture can be reduced by employing a magnetic filter. The advantages of using volume-produced H{sup {minus}} ions for ion beam lithography is also discussed.

  11. Multicusp sources for ion beam lithography applications

    Energy Technology Data Exchange (ETDEWEB)

    Leung, K.N.; Herz, P.; Kunkel, W.B.; Lee, Y.; Perkins, L.; Pickard, D.; Sarstedt, M.; Weber, M.; Williams, M.D. [Lawrence Berkeley Laboratory, University of California, Berkeley, California 94720 (United States)

    1995-11-01

    Application of the multicusp source for ion projection lithography is described. It is shown that the longitudinal energy spread of the positive ions at the extraction aperture can be reduced by employing a magnetic filter. The advantages of using volume-produced H{sup {minus}} ions for ion beam lithography are also discussed. {copyright} {ital 1995} {ital American} {ital Vacuum} {ital Society}

  12. Ion-Acoustic Instabilities in a Multi-Ion Plasma

    Directory of Open Access Journals (Sweden)

    Noble P. Abraham

    2013-01-01

    Full Text Available We have, in this paper, studied the stability of the ion-acoustic wave in a plasma composed of hydrogen, positively and negatively charged oxygen ions, and electrons, which approximates very well the plasma environment around a comet. Modelling each cometary component (H+, O+, and O− by a ring distribution, we find that ion-acoustic waves can be generated at frequencies comparable to the hydrogen ion plasma frequency. The dispersion relation has been solved both analytically and numerically. We find that the ratio of the ring speed (u⊥s to the thermal spread (vts modifies the dispersion characteristics of the ion-acoustic wave. The contrasting behaviour of the phase velocity of the ion-acoustic wave in the presence of O− ions for u⊥s>vts (and vice versa can be used to detect the presence of negatively charged oxygen ions and also their thermalization.

  13. Streaming instability in negative ion plasma

    Science.gov (United States)

    Kumar, Ajith; Mathew, Vincent

    2017-09-01

    The streaming instability in an unmagnetized negative ion plasma has been studied by computational and theoretical methods. A one dimensional electrostatic Particle In Cell Simulation and fluid dynamical description of negative ion plasma showed that, if the positive ions are having a relative streaming velocity, four different wave modes corresponding to Langmuir wave, fast and slow ion waves and ion acoustic waves are produced. Below a critical wave number, instead of two distinct fast and slow ion waves, we observed a coupled wave mode. The value of the critical wave number is strongly determined by the ion streaming velocity. The thermal velocities of electrons and ions influence the growth rate of instability.

  14. Simultaneous determination of banned acid orange dyes and basic orange dyes in foodstuffs by liquid chromatography-tandem electrospray ionization mass spectrometry via negative/positive ion switching mode.

    Science.gov (United States)

    Fang, Guozhen; Wu, Yu; Dong, Xiaomeng; Liu, Cuicui; He, Shaoyuan; Wang, Shuo

    2013-04-24

    Simultaneous detection of two classes of dyes possessing different chemical properties is difficult. In this study, through negative/positive ion switching mode, simultaneous determination of four typical acid orange dyes and three typical basic orange dyes was achieved by a single high-performance liquid chromatography-tandem mass spectrometry (LC-MS/MS) method, and the analytical efficiency of multiresidues identification was greatly improved. To enhance detection sensitivity, the sample pretreatment conditions and HPLC-MS/MS determining conditions were carefully optimized. Under optimal conditions, good linearity was obtained over the range of 5-500 μg L(-1) with a correlation coefficient (R(2)) >0.9998. Limits of detection (LODs) and limits of quantification (LOQs) of the seven dyes were 0.5-3.0 and 2.0-6.0 μg kg(-1), respectively. The recoveries of the seven dyes in soybean products and marinated eggs were 74-126% with relative standard deviations (RSDs) of 2.22-25.4%, suggesting the developed method is promising for the accurate quantification of the seven dyes at trace levels in foods.

  15. Li(Ni0.40Mn0.40Co0.15Al0.05)O2: A promising positive electrode material for high-power and safe lithium-ion batteries

    Science.gov (United States)

    Bains, J.; Croguennec, L.; Bréger, J.; Castaing, F.; Levasseur, S.; Delmas, C.; Biensan, Ph.

    2011-10-01

    Li1.11(Ni0.40Mn0.39Co0.16Al0.05)0.89O2 was synthesized through coprecipitation of a mixed hydroxide followed by calcination with LiOH·H2O during 10 h at 500 °C and 950 °C. Electrochemical tests and their comparison with those obtained for an industrial Li(Ni1-y-zCoyAlz)O2 material reveal that Li1.11(Ni0.40Mn0.39Co0.16Al0.05)0.89O2 shows good charge-discharge performance, even at high rate according to a protocol well established by car-makers for testing power abilities of batteries for electric and hybrid electric vehicles. In addition, this material shows a significant improvement in thermal stability in the highly deintercalated state (charged state of the battery) over the industrial material. Equivalent (or higher) energy and power densities with a significantly greater thermal stability make of Li1.11(Ni0.40Mn0.39Co0.16Al0.05)0.89O2 an interesting candidate as positive electrode material for large lithium-ion batteries.

  16. Microfabricated cylindrical ion trap

    Science.gov (United States)

    Blain, Matthew G.

    2005-03-22

    A microscale cylindrical ion trap, having an inner radius of order one micron, can be fabricated using surface micromachining techniques and materials known to the integrated circuits manufacturing and microelectromechanical systems industries. Micromachining methods enable batch fabrication, reduced manufacturing costs, dimensional and positional precision, and monolithic integration of massive arrays of ion traps with microscale ion generation and detection devices. Massive arraying enables the microscale cylindrical ion trap to retain the resolution, sensitivity, and mass range advantages necessary for high chemical selectivity. The microscale CIT has a reduced ion mean free path, allowing operation at higher pressures with less expensive and less bulky vacuum pumping system, and with lower battery power than conventional- and miniature-sized ion traps. The reduced electrode voltage enables integration of the microscale cylindrical ion trap with on-chip integrated circuit-based rf operation and detection electronics (i.e., cell phone electronics). Therefore, the full performance advantages of microscale cylindrical ion traps can be realized in truly field portable, handheld microanalysis systems.

  17. Effects of ion/ion proton transfer reactions on conformation of gas-phase cytochrome c ions.

    Science.gov (United States)

    Zhao, Qin; Schieffer, Gregg M; Soyk, Matthew W; Anderson, Timothy J; Houk, R S; Badman, Ethan R

    2010-07-01

    Positive ions from cytochrome c are studied in a 3-D ion trap/ion mobility (IM)/quadrupole-time-of-flight (TOF) instrument with three independent ion sources. The IM separation allows measurement of the cross section of the ions. Ion/ion reactions in the 3-D ion trap that remove protons cause the cytochrome c ions to refold gently without other degradation of protein structure, i.e., fragmentation or loss of heme group or metal ion. The conformation(s) of the product ions generated by ion/ion reactions in a given charge state are similar regardless of whether the cytochrome c ions are originally in +8 or +9 charge states. In the lower charge states (+1 to +5) cytochrome c ions made by the ion/ion reaction yield a single IM peak with cross section of approximately 1110 to 1180 A(2), even if the original +8 ion started with multiple conformations. The conformation expands slightly when the charge state is reduced from +5 to +1. For product ions in the +6 to +8 charge states, ions created from higher charge states (+9 to +16) by ion/ion reaction produce more compact conformation(s) in somewhat higher abundances compared with those produced directly by the electrospray ionization (ESI) source. For ions in intermediate charge states that have a variety of resolvable conformers, the voltage used to inject the ions into the drift tube, and the voltage and duration of the pulse that extracts ions from the ion trap, can affect the observed abundances of various conformers.

  18. Two-electron capture into autoionising configurations N/sup 4 +/(1snln'l') with n = 2,3,4 and n' >= n, observed by electron spectrometry in collisions of N/sup 6 +/(1s) with He and H/sub 2/, at 4. 2 keV amu/sup -1/

    Energy Technology Data Exchange (ETDEWEB)

    Bordenave-Montesquieu, A.; Benoit-Cattin, P.; Gleizes, A.; Marrakchi, A.I.; Dousson, S.; Hitz, D.

    1984-04-14

    Double electron transfer into autoionising states N/sup 4 +/(1snln'l'), with n = 2,3,4 and n' >= n has been observed in a collision between a one-electron highly charged N/sup 6 +/(1s) ion and a two-electron target (He or H/sub 2/), by electron spectrometry. The same configurations are excited in the two collisional systems but with very different probabilities. Electron capture mainly occurs into 1s2ln'l' in He-systems whereas transfer into 1s3ln'l' is stronger in H/sub 2/ systems.

  19. Existence domains of arbitrary amplitude nonlinear structures in two-electron temperature space plasmas. II. High-frequency electron-acoustic solitons

    Energy Technology Data Exchange (ETDEWEB)

    Maharaj, S. K. [South African National Space Agency (SANSA) Space Science, P.O. Box 32, Hermanus 7200 (South Africa); Bharuthram, R. [University of the Western Cape, Modderdam Road, Bellville 7530 (South Africa); Singh, S. V. [Indian Institute of Geomagnetism, New Panvel (West), Navi Mumbai 410218 (India); School of Chemistry and Physics, University of KwaZulu-Natal, Private Bag X54001, Durban 4000 (South Africa); Lakhina, G. S. [Indian Institute of Geomagnetism, New Panvel (West), Navi Mumbai 410218 (India)

    2012-12-15

    A three-component plasma model composed of ions, cool electrons, and hot electrons is adopted to investigate the existence of large amplitude electron-acoustic solitons not only for the model for which inertia and pressure are retained for all plasma species which are assumed to be adiabatic but also neglecting inertial effects of the hot electrons. Using the Sagdeev potential formalism, the Mach number ranges supporting the existence of large amplitude electron-acoustic solitons are presented. The limitations on the attainable amplitudes of electron-acoustic solitons having negative potentials are attributed to a number of different physical reasons, such as the number density of either the cool electrons or hot electrons ceases to be real valued beyond the upper Mach number limit, or, alternatively, a negative potential double layer occurs. Electron-acoustic solitons having positive potentials are found to be supported only if inertial effects of the hot electrons are retained and these are found to be limited only by positive potential double layers.

  20. Explicit energy density functional for the Crandall two-electron model atom with harmonic confinement and inverse square law inter-particle repulsion

    Energy Technology Data Exchange (ETDEWEB)

    Amovilli, C., E-mail: amovilli@dcci.unipi.it [Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Via Risorgimento 35, 56126 Pisa (Italy); March, N.H. [Department of Physics, University of Antwerp, Antwerp (Belgium); University of Oxford, Oxford (United Kingdom)

    2014-05-01

    Though density functional theory is already developed in useful practical numerical forms, no explicit simple ground-state energy density functional exists. Here, towards establishing such a theory, we present the ground-state energy of the Crandall et al.'s two-electron spin-compensated model atom in terms of ∇{sup 2}ρ(r)/ρ(r) evaluated at r=0, where ρ(r) is the electron density.

  1. Explicit energy density functional for the Crandall two-electron model atom with harmonic confinement and inverse square law inter-particle repulsion

    Science.gov (United States)

    Amovilli, C.; March, N. H.

    2014-05-01

    Though density functional theory is already developed in useful practical numerical forms, no explicit simple ground-state energy density functional exists. Here, towards establishing such a theory, we present the ground-state energy of the Crandall et al.'s two-electron spin-compensated model atom in terms of ∇2ρ(r)/ρ(r) evaluated at r=0, where ρ(r) is the electron density.

  2. First-order density matrix as a functional of the ground-state electron density for harmonic confinement of two electrons which also interact harmonically

    Energy Technology Data Exchange (ETDEWEB)

    March, N.H

    2002-12-30

    The first-order density matrix {gamma}(r{sub 1},r{sub 2}) for the ground-state of a model two-electron atom is explicitly constructed from the electron density {rho}(r). The model has harmonic confinement plus interparticle harmonic interactions. {gamma}(r{sub 1},r{sub 2}) and {rho}(r) are related non-locally, even though no density gradients and no quadratures appear.

  3. Dual function photocatalysis of cyano-bridged heteronuclear metal complexes for water oxidation and two-electron reduction of dioxygen to produce hydrogen peroxide as a solar fuel.

    Science.gov (United States)

    Aratani, Yusuke; Suenobu, Tomoyoshi; Ohkubo, Kei; Yamada, Yusuke; Fukuzumi, Shunichi

    2017-03-25

    The photocatalytic production of hydrogen peroxide from water and dioxygen under visible light irradiation was made possible by using polymeric cyano-bridged heteronuclear metal complexes (M(II)[Ru(II)(CN)4(bpy)]; M(II) = Ni(II), Fe(II) and Mn(II)), where the photocatalytic two-electron reduction of O2 and water oxidation were catalysed by the Ru and M(II) moieties, respectively.

  4. The Three-Dimensional Structure of NAD(P)H:Quinone Reductase, a Flavoprotein Involved in Cancer Chemoprotection and Chemotherapy: Mechanism of the Two-Electron Reduction

    Science.gov (United States)

    Li, Rongbao; Bianchet, Mario A.; Talalay, Paul; Amzel, L. Mario

    1995-09-01

    Quinone reductase [NAD(P)H:(quinone acceptor) oxidoreductase, EC 1.6.99.2], also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependent two-electron reductions of quinones and protects cells against the toxic and neoplastic effects of free radicals and reactive oxygen species arising from one-electron reductions. These two-electron reductions participate in the reductive bioactivation of cancer chemotherapeutic agents such as mitomycin C in tumor cells. Thus, surprisingly, the same enzymatic reaction that protects normal cells activates cytotoxic drugs used in cancer chemotherapy. The 2.1-Å crystal structure of rat liver quinone reductase reveals that the folding of a portion of each monomer is similar to that of flavodoxin, a bacterial FMN-containing protein. Two additional portions of the polypeptide chains are involved in dimerization and in formation of the two identical catalytic sites to which both monomers contribute. The crystallographic structures of two FAD-containing enzyme complexes (one containing NADP^+, the other containing duroquinone) suggest that direct hydride transfers from NAD(P)H to FAD and from FADH_2 to the quinone [which occupies the site vacated by NAD(P)H] provide a simple rationale for the obligatory two-electron reductions involving a ping-pong mechanism.

  5. Ion Colliders

    CERN Document Server

    Fischer, W

    2014-01-01

    High-energy ion colliders are large research tools in nuclear physics to study the Quark-Gluon-Plasma (QGP). The range of collision energy and high luminosity are important design and operational considerations. The experiments also expect flexibility with frequent changes in the collision energy, detector fields, and ion species. Ion species range from protons, including polarized protons in RHIC, to heavy nuclei like gold, lead and uranium. Asymmetric collision combinations (e.g. protons against heavy ions) are also essential. For the creation, acceleration, and storage of bright intense ion beams, limits are set by space charge, charge change, and intrabeam scattering effects, as well as beam losses due to a variety of other phenomena. Currently, there are two operating ion colliders, the Relativistic Heavy Ion Collider (RHIC) at BNL, and the Large Hadron Collider (LHC) at CERN.

  6. Mass spectrometry in a multicusp ion source

    Energy Technology Data Exchange (ETDEWEB)

    Mullan, A.A. (Applied Physical Science, University of Ulster, Coleraine (Northern Ireland)); Graham, W.G. (Physics Department, Queen' s University, Belfast, (Northern Ireland))

    1990-08-05

    Mass spectrometry has been used for the detection of positive and negative ions in a multicusp ion source operating with both hydrogen and deuterium gas. The mass spectrometer operation has been optimized and it is shown that applying ion extraction voltages can disturb the discharge. Using this technique combined with a Langmuir probe technique we are able to study the positive ionic fractions present when operating with both gases (and the negative ion densities.)

  7. Position Information

    Data.gov (United States)

    Social Security Administration — The Position Information Data Asset provides the ability to search for active SSA position descriptions using various search criteria. An individual may search by PD...

  8. Hooded arc ion-source

    CERN Multimedia

    1972-01-01

    The positioning system for the hooded arc ion-source, shown prior to mounting, consists of four excentric shafts to locate the ion-source and central electrodes. It will be placed on the axis of the SC and introduced into the vacuum tank via the air locks visible in the foreground.

  9. Ion sources for cyclotron applications

    Energy Technology Data Exchange (ETDEWEB)

    Leung, K.N.; Bachman, D.A.; McDonald, D.S.; Young, A.T.

    1992-07-01

    The use of a multicusp plasma generator as an ion source has many advantages. The development of both positive and negative ion beams based on the multicusp source geometry is presented. It is shown that these sources can be operated at steady state or cw mode. As a result they are very suitable for cyclotron operations.

  10. Positive Psychology

    Science.gov (United States)

    Peterson, Christopher

    2009-01-01

    Positive psychology is a deliberate correction to the focus of psychology on problems. Positive psychology does not deny the difficulties that people may experience but does suggest that sole attention to disorder leads to an incomplete view of the human condition. Positive psychologists concern themselves with four major topics: (1) positive…

  11. Ubiquitous positioning

    CERN Document Server

    Mannings, Robin

    2008-01-01

    This groundbreaking resource offers a practical, in-depth understanding of Ubiquitous Positioning - positioning systems that identify the location and position of people, vehicles and objects in time and space in the digitized networked economy. The future and growth of ubiquitous positioning will be fueled by the convergence of many other areas of technology, from mobile telematics, Internet technology, and location systems, to sensing systems, geographic information systems, and the semantic web. This first-of-its-kind volume explores ubiquitous positioning from a convergence perspective, of

  12. The Kadomtsev-Petviashvili equation for dust ion-acoustic solitons in pair-ion plasmas

    Institute of Scientific and Technical Information of China (English)

    Hafeez Ur-Rehman

    2013-01-01

    Using the reductive perturbation method,we have derived the Kadomtsev-Petviashvili (KP) equation to study the nonlinear properties of electrostatic collisionless dust ion-acoustic solitons in pair-ion (p-i) plasmas.We have chosen the fluid model for the positive ions,the negative ions,and a fraction of static charged (both positively and negatively) dust particles.Numerical solutions of these dust ion-acoustic solitons are plotted and their characteristics are discussed.It is found that only the amplitudes of the electrostatic dust ion-acoustic solitons vary when the dust is introduced in the pair-ion plasma.It is also noticed that the amplitude and the width of these solitons both vary when the thermal energy of the positive or negative ions is varied.It is shown that potential hump structures are formed when the temperature of the negative ions is higher than that of the positive ions,and potential dip structures are observed when the temperature of the positive ions supersedes that of the negative ions.As the pair-ion plasma mimics the electron-positron plasma,thus our results might be helpful in understanding the nonlinear dust ion acoustic solitary waves in super dense astronomical bodies.

  13. Positioning consumption

    DEFF Research Database (Denmark)

    Halkier, Bente; Keller, Margit

    2014-01-01

    positionings emerges based on empirical examples of research in parent–children consumption. Positionings are flexible discursive fixations of the relationship between the performances of the practitioner, other practitioners, media discourse and consumption activities. The basic positioning types...... are the practice maintenance and the practice change position, with different sorts of adapting in between. Media discourse can become a resource for a resistant position against social control or for an appropriating position in favour of space for action. Regardless of the current relation to a particular media...... discourse, practitioners attempt to maintain their self-positioning of competence when performing. This leads us, as researchers, to caution against any a priori anticipation of the anchoring power of media discourses within everyday activities....

  14. Negative-energy states in the Dirac-Hartree-Fock problem - The effect of omission of two-electron integrals involving the small component

    Science.gov (United States)

    Dyall, Kenneth G.

    1992-01-01

    The effect of omission of two-electron integrals involving basis functions for the small component of the wavefunction on the eigenvalue spectrum in the Dirac-Hartree-Fock problem is studied. From an analysis of the Fock matrix it is shown that omission of these integrals moves the negative-energy states down, not up. Their complete omission does not give rise to intruder states. The appearance of intruder states occurs when only some of the core integrals are omitted, due to the nature of particular contraction schemes used for the core basis functions. Use of radially localized functions rather than atomic functions alleviates the intruder state problem.

  15. Ion Chromatography.

    Science.gov (United States)

    Mulik, James D.; Sawicki, Eugene

    1979-01-01

    Accurate for the analysis of ions in solution, this form of analysis enables the analyst to directly assay many compounds that previously were difficult or impossible to analyze. The method is a combination of the methodologies of ion exchange, liquid chromatography, and conductimetric determination with eluant suppression. (Author/RE)

  16. The Toledo heavy ion accelerator

    Energy Technology Data Exchange (ETDEWEB)

    Haar, R.R. (Dept. of Physics and Astronomy, Univ. of Toledo, OH (United States)); Beideck, D.J. (Dept. of Physics and Astronomy, Univ. of Toledo, OH (United States)); Curtis, L.J. (Dept. of Physics and Astronomy, Univ. of Toledo, OH (United States)); Kvale, T.J. (Dept. of Physics and Astronomy, Univ. of Toledo, OH (United States)); Sen, A. (Dept. of Physics and Astronomy, Univ. of Toledo, OH (United States)); Schectman, R.M. (Dept. of Physics and Astronomy, Univ. of Toledo, OH (United States)); Stevens, H.W. (Dept. of Physics and Astronomy, Univ. of Toledo, OH (United States))

    1993-06-01

    The recently installed 330 kV electrostatic positive ion accelerator at the University of Toledo is described. Experiments have been performed using ions ranging from H[sup +] to Hg[sup 2+] and exotic molecules such as HeH[sup +]. Most of these experiments involve the beam-foil studies of the lifetimes of excited atomic states and the apparatus used for these experiments is also described. Another beamline is available for ion-implantation. The Toledo heavy ion accelerator facility welcomes outside users. (orig.)

  17. Negative chlorine ions from multicusp radio frequency ion source for heavy ion fusion applications

    Science.gov (United States)

    Hahto, S. K.; Hahto, S. T.; Kwan, J. W.; Leung, K. N.; Grisham, L. R.

    2003-06-01

    Use of high mass atomic neutral beams produced from negative ions as drivers for inertial confinement fusion has been suggested recently. Best candidates for the negative ions would be bromine and iodine with sufficiently high mass and electron affinity. These materials require a heated vapor ion source. Chlorine was selected for initial testing because it has similar electron affinity to those of bromine and iodine, and is available in gaseous form. An experiment was set up by the Plasma and Ion Source Technology Group in Lawrence Berkeley National Laboratory to measure achievable current densities and other beam parameters by using a rf driven multicusp ion source [K. N. Leung, Rev. Sci. Instrum. 65, 1165 (1994); Q. Ji et al., Rev. Sci. Instrum. 73, 822 (2002)]. Current density of 45 mA/cm2 was achieved with 99.5% of the beam as atomic negative chlorine at 2.2 kW of rf power. An electron to negative ion ratio as low as 7 to 1 was observed, while the ratio of positive and negative chlorine ion currents was 1.3. This in addition to the fact that the front plate biasing had almost no effect to the negative chlorine ion and electron currents indicates that a very high percentage of the negative charge in the extraction area of the ion source was in form of Cl- ions. A comparison of positive and negative chlorine ion temperatures was conducted with the pepper pot emittance measurement technique and very similar transverse temperature values were obtained for positive and negative chlorine ions.

  18. ION SOURCES FOR ENERGY EXTREMES OF ION IMPLANTATION.

    Energy Technology Data Exchange (ETDEWEB)

    HERSCHCOVITCH,A.; JOHNSON, B.M.; BATALIN, V.A.; KROPACHEV, G.N.; KUIBEDA, R.P.; KULEVOY, T.V.; KOLOMIETS, A.A.; PERSHIN, V.I.; PETRENKO, S.V.; RUDSKOY, I.; SELEZNEV, D.N.; BUGAEV, A.S.; GUSHENETS, V.I.; LITOVKO, I.V.; OKS, E.M.; YUSHKOV, G. YU.; MASEUNOV, E.S.; POLOZOV, S.M.; POOLE, H.J.; STOROZHENKO, P.A.; SVAROVSKI, YA.

    2007-08-26

    For the past four years a joint research and development effort designed to develop steady state, intense ion sources has been in progress with the ultimate goal to develop ion sources and techniques, which meet the two energy extreme range needs of mega-electron-volt and 100's of electron-volt ion implanters. This endeavor has already resulted in record steady state output currents of high charge state of Antimony and Phosphorous ions: P{sup 2+} (8.6 pmA), P{sup 3+} (1.9 pmA), and P{sup 4+} (0.12 pmA) and 16.2, 7.6, 3.3, and 2.2 pmA of Sb{sup 3+} Sb{sup 4+}, Sb{sup 5+}, and Sb{sup 6+} respectively. For low energy ion implantation our efforts involve molecular ions and a novel plasmaless/gasless deceleration method. To date, 1 emA of positive Decaborane ions were extracted at 10 keV and smaller currents of negative Decaborane ions were also extracted. Additionally, Boron current fraction of over 70% was extracted from a Bemas-Calutron ion source, which represents a factor of 3.5 improvement over currently employed ion sources.

  19. Ion sources for energy extremes of ion implantation.

    Science.gov (United States)

    Hershcovitch, A; Johnson, B M; Batalin, V A; Kropachev, G N; Kuibeda, R P; Kulevoy, T V; Kolomiets, A A; Pershin, V I; Petrenko, S V; Rudskoy, I; Seleznev, D N; Bugaev, A S; Gushenets, V I; Litovko, I V; Oks, E M; Yushkov, G Yu; Masunov, E S; Polozov, S M; Poole, H J; Storozhenko, P A; Svarovski, A Ya

    2008-02-01

    For the past four years a joint research and development effort designed to develop steady state, intense ion sources has been in progress with the ultimate goal to develop ion sources and techniques that meet the two energy extreme range needs of meV and hundreads of eV ion implanters. This endeavor has already resulted in record steady state output currents of high charge state of antimony and phosphorus ions: P(2+) [8.6 pmA (particle milliampere)], P(3+) (1.9 pmA), and P(4+) (0.12 pmA) and 16.2, 7.6, 3.3, and 2.2 pmA of Sb(3+)Sb(4+), Sb(5+), and Sb(6+) respectively. For low energy ion implantation, our efforts involve molecular ions and a novel plasmaless/gasless deceleration method. To date, 1 emA (electrical milliampere) of positive decaborane ions was extracted at 10 keV and smaller currents of negative decaborane ions were also extracted. Additionally, boron current fraction of over 70% was extracted from a Bernas-Calutron ion source, which represents a factor of 3.5 improvement over currently employed ion sources.

  20. Recent progress in heavy ion sources

    Energy Technology Data Exchange (ETDEWEB)

    Clark, D.J.

    1977-03-01

    A summary is given of the progress during the last several years in the technology of sources of high charge state positive heavy ions and negative heavy ions. Subjects covered include recent results in ECR and EBIS source development and comparison of various source types for high charge state heavy ions.

  1. Positive Psychotherapy

    Science.gov (United States)

    Seligman, Martin E. P.; Rashid, Tayyab; Parks, Acacia C.

    2006-01-01

    Positive psychotherapy (PPT) contrasts with standard interventions for depression by increasing positive emotion, engagement, and meaning rather than directly targeting depressive symptoms. The authors have tested the effects of these interventions in a variety of settings. In informal student and clinical settings, people not uncommonly reported…

  2. Positioning Agility

    Science.gov (United States)

    Oza, Nilay; Abrahamsson, Pekka; Conboy, Kieran

    Agile methods are increasingly adopted by European companies. Academics too are conducting numerous studies on different tenets of agile methods. Companies often feel proud in marketing themselves as ‘agile’. However, the true notion of ‘being agile’ seems to have been overlooked due to lack of positioning of oneself for agility. This raises a call for more research and interactions between academia and the industry. The proposed workshop refers to this call. It will be highly relevant to participants, interested in positioning their company’s agility from organizational, group or project perspectives. The positioning of agility will help companies to better align their agile practices with stakeholder values. Results of the workshop will be shared across participants and they will also have opportunity to continue their work on agile positioning in their companies. At broader level, the work done in this workshop will contribute towards developing Agile Positioning System.

  3. Ion binding to biological macromolecules.

    Science.gov (United States)

    Petukh, Marharyta; Alexov, Emil

    2014-11-01

    Biological macromolecules carry out their functions in water and in the presence of ions. The ions can bind to the macromolecules either specifically or non-specifically, or can simply to be a part of the water phase providing physiological gradient across various membranes. This review outlines the differences between specific and non-specific ion binding in terms of the function and stability of the corresponding macromolecules. Furthermore, the experimental techniques to identify ion positions and computational methods to predict ion binding are reviewed and their advantages compared. It is indicated that specifically bound ions are relatively easier to be revealed while non-specifically associated ions are difficult to predict. In addition, the binding and the residential time of non-specifically bound ions are very much sensitive to the environmental factors in the cells, specifically to the local pH and ion concentration. Since these characteristics differ among the cellular compartments, the non-specific ion binding must be investigated with respect to the sub-cellular localization of the corresponding macromolecule.

  4. Researcher positioning

    DEFF Research Database (Denmark)

    Mørck, Line Lerche; Khawaja, Iram

    2009-01-01

    abstract  This article focuses on the complex and multi-layered process of researcher positioning, specifically in relation to the politically sensitive study of marginalised and ‘othered' groups such as Muslims living in Denmark. We discuss the impact of different ethnic, religious and racial...... political and personal involvement by the researcher, which challenges traditional perspectives on research and researcher positioning. A key point in this regard is the importance of constant awareness of and reflection on the multiple ways in which one's positioning as a researcher influences the research...

  5. Researcher positioning

    DEFF Research Database (Denmark)

    Mørck, Line Lerche; Khawaja, Iram

    2009-01-01

    abstract  This article focuses on the complex and multi-layered process of researcher positioning, specifically in relation to the politically sensitive study of marginalised and ‘othered' groups such as Muslims living in Denmark. We discuss the impact of different ethnic, religious and racial...... political and personal involvement by the researcher, which challenges traditional perspectives on research and researcher positioning. A key point in this regard is the importance of constant awareness of and reflection on the multiple ways in which one's positioning as a researcher influences the research...... process. Studying the other calls for close reflections on one's own position, theoretically, personally, and politically, taking into account one's complicity in either overcoming or reproducing processes of othering and marginalisation. [i] We use the term (ethnic) minoritised, not as a distinction...

  6. Multicusp sources for ion beam projection lithography

    Science.gov (United States)

    Lee, Y.; Gough, R. A.; Kunkel, W. B.; Leung, K. N.; Vujic, J.; Williams, M. D.; Wutte, D.; Zahir, N.

    1998-02-01

    Multicusp ion sources are capable of producing positive and negative ions with good beam quality and low energy spread. The ion energy spread of multicusp sources has been measured by three different techniques. The axial ion energy spread has been reduced by introducing a magnetic filter inside the multicusp source chamber which adjusts the plasma potential distribution. The axial energy spread is further reduced by optimizing the source configuration. Values as low as 0.8 eV have been achieved.

  7. Existence domains of slow and fast ion-acoustic solitons in two-ion space plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Maharaj, S. K., E-mail: smaharaj@sansa.org.za [South African National Space Agency (SANSA) Space Science, P.O. Box 32, Hermanus 7200 (South Africa); Bharuthram, R., E-mail: rbharuthram@uwc.ac.za [University of the Western Cape, Robert Sobukwe Road, Bellville, 7535 (South Africa); Singh, S. V., E-mail: satyavir@iigs.iigm.res.in; Lakhina, G. S., E-mail: lakhina@iigs.iigm.res.in [Indian Institute of Geomagnetism, New Panvel (West), Navi Mumbai 410218 (India)

    2015-03-15

    A study of large amplitude ion-acoustic solitons is conducted for a model composed of cool and hot ions and cool and hot electrons. Using the Sagdeev pseudo-potential formalism, the scope of earlier studies is extended to consider why upper Mach number limitations arise for slow and fast ion-acoustic solitons. Treating all plasma constituents as adiabatic fluids, slow ion-acoustic solitons are limited in the order of increasing cool ion concentrations by the number densities of the cool, and then the hot ions becoming complex valued, followed by positive and then negative potential double layer regions. Only positive potentials are found for fast ion-acoustic solitons which are limited only by the hot ion number density having to remain real valued. The effect of neglecting as opposed to including inertial effects of the hot electrons is found to induce only minor quantitative changes in the existence regions of slow and fast ion-acoustic solitons.

  8. Gas and metal ion sources

    Energy Technology Data Exchange (ETDEWEB)

    Oaks, E. [High Current Electronics Institute, Tomsk (Russian Federation)]|[State Academy of Control System and Radioelectronics, Tomsk (Russian Federation); Yushkov, G. [High Current Electronics Institute, Tomsk (Russian Federation)

    1996-08-01

    The positive ion sources are now of interest owing to both their conventional use, e.g., as injectors in charged-particle accelerators and the promising capabilities of intense ion beams in the processes related to the action of ions on various solid surfaces. For industrial use, the sources of intense ion beams and their power supplies should meet the specific requirements as follows: They should be simple, technologically effective, reliable, and relatively low-cost. Since the scanning of an intense ion beam is a complicated problem, broad ion beams hold the greatest promise. For the best use of such beams it is desirable that the ion current density be uniformly distributed over the beam cross section. The ion beam current density should be high enough for the treatment process be accomplished for an acceptable time. Thus, the ion sources used for high-current, high-dose metallurgical implantation should provide for gaining an exposure dose of {approximately} 10{sup 17} cm{sup {minus}2} in some tens of minutes. So the average ion current density at the surface under treatment should be over 10{sup {minus}5} A/cm{sup 2}. The upper limit of the current density depends on the admissible heating of the surface under treatment. The accelerating voltage of an ion source is dictated by its specific use; it seems to lie in the range from {approximately}1 kV (for the ion source used for surface sputtering) to {approximately}100 kV and over (for the ion sources used for high-current, high-dose metallurgical implantation).

  9. Enhanced Constraints for Accurate Lower Bounds on Many-Electron Quantum Energies from Variational Two-Electron Reduced Density Matrix Theory.

    Science.gov (United States)

    Mazziotti, David A

    2016-10-07

    A central challenge of physics is the computation of strongly correlated quantum systems. The past ten years have witnessed the development and application of the variational calculation of the two-electron reduced density matrix (2-RDM) without the wave function. In this Letter we present an orders-of-magnitude improvement in the accuracy of 2-RDM calculations without an increase in their computational cost. The advance is based on a low-rank, dual formulation of an important constraint on the 2-RDM, the T2 condition. Calculations are presented for metallic chains and a cadmium-selenide dimer. The low-scaling T2 condition will have significant applications in atomic and molecular, condensed-matter, and nuclear physics.

  10. Enhanced Constraints for Accurate Lower Bounds on Many-Electron Quantum Energies from Variational Two-Electron Reduced Density Matrix Theory

    Science.gov (United States)

    Mazziotti, David A.

    2016-10-01

    A central challenge of physics is the computation of strongly correlated quantum systems. The past ten years have witnessed the development and application of the variational calculation of the two-electron reduced density matrix (2-RDM) without the wave function. In this Letter we present an orders-of-magnitude improvement in the accuracy of 2-RDM calculations without an increase in their computational cost. The advance is based on a low-rank, dual formulation of an important constraint on the 2-RDM, the T 2 condition. Calculations are presented for metallic chains and a cadmium-selenide dimer. The low-scaling T 2 condition will have significant applications in atomic and molecular, condensed-matter, and nuclear physics.

  11. Performance Limits of Photoelectrochemical CO2 Reduction Based on Known Electrocatalysts and the Case for Two-Electron Reduction Products

    DEFF Research Database (Denmark)

    Vesborg, Peter Christian Kjærgaard; Seger, Brian

    2016-01-01

    Solar-drivenreduction of CO2 to solar fuels as an alternative to H2 via water splitting is an intriguing proposition. We modelthe solar-to-fuel (STF) efficiencies using realistic parameters basedon recently reported CO2 reduction catalysts with a highperformance tandem photoabsorber structure. CO...... and formate, whichare both two-electron reduction products, offer STF efficiencies (20.0%and 18.8%) competitively close to that of solar H2 (21.8%)despite markedly worse reduction catalysis. The slightly lower efficiencytoward carbon products is mainly due to electrolyte resistance, notoverpotential. Using...... a cell design where electrolyte resistance isminimized makes formate the preferred product from an efficiency standpoint(reaching 22.7% STF efficiency). On the other hand, going beyond a2 electron reduction reaction, the more highly reduced products seemunviable with presently available electrocatalysts...

  12. Time-dependent renormalized natural orbital theory applied to the two-electron spin-singlet case: ground state, linear response, and autoionization

    CERN Document Server

    Brics, M

    2013-01-01

    Favorably scaling numerical time-dependent many-electron techniques such as time-dependent density functional theory (TDDFT) with adiabatic exchange-correlation potentials typically fail in capturing highly correlated electron dynamics. We propose a method based on natural orbitals, i.e., the eigenfunctions of the one-body reduced density matrix, that is almost as inexpensive numerically as adiabatic TDDFT, but which is capable of describing correlated phenomena such as doubly excited states, autoionization, Fano profiles in the photoelectron spectra, and strong-field ionization in general. Equations of motion (EOM) for natural orbitals and their occupation numbers have been derived earlier. We show that by using renormalized natural orbitals (RNO) both can be combined into one equation governed by a hermitian effective Hamiltonian. We specialize on the two-electron spin-singlet system, known as being a "worst case" testing ground for TDDFT, and employ the widely used, numerically exactly solvable, one-dimens...

  13. Zn-catalyzed enantio- and diastereoselective formal [4 + 2] cycloaddition involving two electron-deficient partners: asymmetric synthesis of piperidines from 1-azadienes and nitro-alkenes.

    Science.gov (United States)

    Chu, John C K; Dalton, Derek M; Rovis, Tomislav

    2015-04-08

    We report a catalytic asymmetric synthesis of piperidines through [4 + 2] cycloaddition of 1-azadienes and nitro-alkenes. The reaction uses earth abundant Zn as catalyst and is highly diastereo- and regioselective. A novel BOPA ligand (F-BOPA) confers high reactivity and enantioselectivity in the process. The presence of ortho substitution on the arenes adjacent to the bis(oxazolines) was found to be particularly impactful, due to limiting the undesired coordination of 1-azadiene to the Lewis acid and thus allowing the reaction to be carried out at lower temperature. A series of secondary kinetic isotope effect studies using a range of ligands implicates a stepwise mechanism for the transformation, involving an initial Michael-type addition of the imine to the nitro-alkene followed by a cyclization event. The stepwise mechanism obviates the electronic requirement inherent to a concerted mechanism, explaining the successful cycloaddition between two electron-deficient partners.

  14. Charge transfer excitations from particle-particle random phase approximation-Opportunities and challenges arising from two-electron deficient systems.

    Science.gov (United States)

    Yang, Yang; Dominguez, Adriel; Zhang, Du; Lutsker, Vitalij; Niehaus, Thomas A; Frauenheim, Thomas; Yang, Weitao

    2017-03-28

    The particle-particle random phase approximation (pp-RPA) is a promising method for studying charge transfer(CT) excitations. Through a detailed analysis on two-electron deficient systems, we show that the pp-RPA is always able to recover the long-distance asymptotic -1/R trend for CT excitations as a result of the concerted effect between orbital energies and the pp-RPA kernel. We also provide quantitative results for systems with relatively short donor-acceptor distances. With conventional hybrid or range-separated functionals, the pp-RPA performs much better than time-dependent density functional theory (TDDFT), although it still gives underestimated results which are not as good as TDDFT with system-dependent tuned functionals. For pp-RPA, there remain three great challenges in dealing with CT excitations. First, the delocalized frontier orbitals in strongly correlated systems often lead to difficulty with self-consistent field convergence as well as an incorrect picture with about half an electron transferred. Second, the commonly used density functionals often underestimate the energy gap between the highest occupied molecular orbital and the lowest unoccupied molecular orbital (LUMO) for the two-electron deficient species, resulting in systems with delocalized orbitals. Third, the performance of pp-RPA greatly depends on the energy difference between the LUMO and a higher virtual orbital. However, the meaning of the orbital energies for higher virtual orbitals is still not clear. We also discuss the performance of an approximate pp-RPA scheme that uses density functional tight binding (pp-DFTB) as reference and demonstrate that the aforementioned challenges can be overcome by adopting suitable range-separated hybrid functionals. The pp-RPA and pp-DFTB are thus promising general approaches for describing charge transfer excitations.

  15. Negative Halogen Ions for Fusion Applications

    Energy Technology Data Exchange (ETDEWEB)

    Grisham, L.R.; Kwan, J.W.; Hahto, S.K.; Hahto, S.T.; Leung, K.N.; Westenskow, G.

    2006-01-01

    Over the past quarter century, advances in hydrogen negative ion sources have extended the usable range of hydrogen isotope neutral beams to energies suitable for large magnetically confined fusion devices. Recently, drawing upon this experience, negative halogen ions have been proposed as an alternative to positive ions for heavy ion fusion drivers in inertial confinement fusion, because electron accumulation would be prevented in negative ion beams, and if desired, the beams could be photo-detached to neutrals. This paper reports the results of an experiment comparing the current density and beam emittance of Cl+ and Cl- extracted from substantially ion-ion plasmas with that of Ar+ extracted from an ordinary electron-ion plasma, all using the same source, extractor, and emittance scanner. At similar discharge conditions, the Cl- current was typically 85 – 90% of the positive chlorine current, with an e-/ Cl- ratio as low as seven without grid magnets. The Cl- was as much as 76% of the Ar+ current from a discharge with the same RF drive. The minimum normalized beam emittance and inferred ion temperatures of Cl+, Cl-, and Ar+ were all similar, so the current density and optical quality of Cl- appear as suitable for heavy ion fusion driver applications as a positive noble gas ion of similar mass. Since F, I, and Br should all behave similarly in an ion source, they should also be suitable as driver beams.

  16. Density functional theory and atoms-in-molecule study on the role of two-electron stabilizing interactions in retro Diels-Alder reaction of cycloadducts derived from substituted cyclopentadiene and p-benzoquinone.

    Science.gov (United States)

    Patil, Mahendra P; Sunoj, Raghavan B

    2006-11-07

    A systematic investigation on the cycloreversion reaction of the cycloadduct formed between substituted cyclopentadiene and p-benzoquinone (1-19) is reported at the B3LYP/6-311+G**//B3LYP/6-31G* level of theory. The computed activation barrier exhibits a fairly high sensitivity to the nature of substituents at the C7-position. Gibbs free energy of activation for 1 and 19 are found to be 20.3 and 30.1 kcal mol(-1), respectively, compared to 7, which is estimated to be 24.7 kcal mol(-1). Quantitative analysis of the electronic effects operating in both the cycloadduct as well as the corresponding transition state for the retro Diels-Alder (rDA) reaction performed using the natural bond orbital (NBO) and atoms in molecule (AIM) methods have identified important two-electron stabilizing interactions. Among four major delocalizations, sigma(C7-X) to sigma*(C1-C5) [and to sigma*(C2-C6)] is identified as the key contributing factor responsible for ground state C1-C5 bond elongation, which in turn is found to be crucial in promoting the rDA reaction. A good correlation between the population of antibonding orbital [sigma*(C1-C5)] of the ground state cycloadduct and Gibbs free energy of activation is observed. The importance of factors that modulate ground state structural features in controlling the energetics of rDA reaction is described.

  17. One-photon two-electron processes in helium close to the double ionization threshold; Diexcitation electronique de l'helium par un photon au voisinage du seuil de double ionisation

    Energy Technology Data Exchange (ETDEWEB)

    Bouri, C

    2007-04-15

    This work presents a study of the {sup 1}P{sup 0} excited states of He that can be reached by absorption of a single photon carrying an energy close to the double ionization threshold (DIT) (79 eV). Above the DIT, these states are the double continuum states; below, they are the double excited states. These two types of states are tightly coupled to the single continuum states with or without excitation of the residual ion He{sup +}, owing to their degeneracy in energy. In a one-photon process, these states can only be formed owing to the electronic correlations in the system which must be well described to obtain quantitative good results. Our study is a part of the work which aims at a united description of all these doubly excited, ionized-excited, and double continuum states. We use the Hyperspherical R-Matrix with Semiclassical Outgoing Waves (HRM-SOW) method, initially dedicated to double photoionization studies. We extend it to extract information on the single continuum. This extension allows us to compute cross sections of single photoionization with or without excitation up to n 50 for an excess of 100 meV just above the double ionization threshold. A deep insight into this process is given by a partial waves analysis. The results obtained shed light on the key role of angular and radial correlations. The numerous data we obtain on double and single ionization allow us to establish a continuity relation between these two processes. We show that single ionization with an infinite excitation of the residual ion merges into double photoionization when the excess energy is redistributed between the two electrons. It appears that this relation is valid not only for low but also for high photon energies. Since the HRM-SOW can produce the integrated cross section for double photoionization with high accuracy in the low energy domain, we check the Wannier threshold law. The parameters extracted support strongly this threshold law, and are in good agreement with

  18. Well-dispersed LiFePO4 nanoparticles anchored on a three-dimensional graphene aerogel as high-performance positive electrode materials for lithium-ion batteries

    Science.gov (United States)

    Tian, Xiaohui; Zhou, Yingke; Tu, Xiaofeng; Zhang, Zhongtang; Du, Guodong

    2017-02-01

    A three-dimensional graphene aerogel supporting LiFePO4 nanoparticles (LFP/GA) has been synthesized by a hydrothermal process. The morphology and microstructure of LFP/GA were investigated by X-ray diffraction, scanning electron microscopy, transmission electron microscopy and thermal gravimetric analysis. The electrochemical properties were evaluated by constant-current charge/discharge tests, cyclic voltammetry and electrochemical impedance spectroscopy. Well-distributed LFP nanoparticles are anchored on both sides of graphene and then assemble into a highly porous three-dimensional aerogel architecture. Conductive graphene networks provide abundant paths to facilitate the transfer of electrons, while the aerogel structures offer plenty of interconnected open pores for the storage of electrolyte to enable the fast supply of Li ions. The LFP and graphene aerogel composites present superior specific capacity, rate capability and cycling performance in comparison to the pristine LFP or LFP supported on graphene sheets and are thus promising for lithium-ion battery applications.

  19. Positional games

    CERN Document Server

    Hefetz, Dan; Stojaković, Miloš; Szabó, Tibor

    2014-01-01

    This text serves as a thorough introduction to the rapidly developing field of positional games. This area constitutes an important branch of combinatorics, whose aim it is to systematically develop an extensive mathematical basis for a variety of two-player perfect information games. These range from such popular games as Tic-Tac-Toe and Hex to purely abstract games played on graphs and hypergraphs. The subject of positional games is strongly related to several other branches of combinatorics such as Ramsey theory, extremal graph and set theory, and the probabilistic method. These notes cover a variety of topics in positional games, including both classical results and recent important developments. They are presented in an accessible way and are accompanied by exercises of varying difficulty, helping the reader to better understand the theory. The text will benefit both researchers and graduate students in combinatorics and adjacent fields.

  20. Researcher Positioning

    DEFF Research Database (Denmark)

    Khawaja, Iram; Mørck, Line Lerche

    2009-01-01

    This article focuses on the complex and multilayered process of researcher positioning,specifically in relation to the politically sensitive study of marginalised and "othered"groups such as Muslims living in Denmark. We discuss the impact of different ethnic,religious, and racial backgrounds...... involvement by the researcher, which challenges traditional perspectives onresearch and researcher positioning. A key point in this regard is the importance ofconstant awareness of and reflection on the multiple ways in which one's positioningas a researcher influences the research process. Studying the other...

  1. Ion thermal effects on slow mode solitary waves in plasmas with two adiabatic ion species

    Energy Technology Data Exchange (ETDEWEB)

    Nsengiyumva, F., E-mail: franco.nseng@gmail.com; Hellberg, M. A., E-mail: hellberg@ukzn.ac.za; Mace, R. L., E-mail: macer@ukzn.ac.za [School of Chemistry and Physics, University of KwaZulu-Natal, Durban 4000 (South Africa)

    2015-09-15

    Using both the Sagdeev and Korteweg-de Vries (KdV) methods, ion thermal effects on slow mode ion acoustic solitons and double layers are investigated in a plasma with two adiabatic positive ion species. It is found that reducing the gap between the two ion thermal speeds by increasing the relative temperature of the cool ions increases the typical soliton/double layer speeds for all values of the ion-ion density ratio and reduces the range in the density ratio that supports double layers. The effect of increasing the relative cool ion temperature on the soliton/double layer amplitudes depends on the relative densities. For lower values of the ion density ratio, an increase in cool ion temperature leads to a significant decrease in soliton/double layer amplitude, so one may find that solitons of all permissible speeds lie within the range of KdV theory.

  2. Perspective on the Role of Negative Ions and Ion-Ion Plasmas in Heavy Ion Fusion Science, Magnetic Fusion Energy, and Related Fields

    Energy Technology Data Exchange (ETDEWEB)

    L. Grisham and J.W. Kwan

    2008-08-12

    Some years ago it was suggested that halogen negative ions [1] could offer a feasible alternative path to positive ions as a heavy ion fusion driver beam which would not suffer degradation due to electron accumulation in the accelerator and beam transport system, and which could be converted to a neutral beam by photodetachment near the chamber entrance if desired. Since then, experiments have demonstrated that negative halogen beams can be extracted and accelerated away from the gas plume near the source with a surviving current density close to what could be achieved with a positive ion of similar mass, and with comparable optical quality. In demonstrating the feasibility of halogen negative ions as heavy ion driver beams, ion - ion plasmas, an interesting and somewhat novel state of matter, were produced. These plasmas, produced near the extractor plane of the sources, appear, based upon many lines of experimental evidence, to consist of almost equal densities of positive and negative chlorine ions, with only a small component of free electrons. Serendipitously, the need to extract beams from this plasma for driver development provides a unique diagnostic tool to investigate the plasma, since each component - positive ions, negative ions, and electrons -- can be extracted and measured separately. We discuss the relevance of these observations to understanding negative ion beam extraction from electronegative plasmas such as halogens, or the more familiar hydrogen of magnetic fusion ion sources. We suggest a concept which might improve negative hydrogen extraction by the addition of a halogen. The possibility and challenges of producing ion-ion plasmas with thin targets of halogens or, perhaps, salt, is briefly addressed.

  3. Perspective on the Role of Negative Ions and Ion-Ion Plasmas in Heavy Ion Fusion Science, Magnetic Fusion Energy, and Related Fields

    Energy Technology Data Exchange (ETDEWEB)

    Grisham, L.R.; Kwan, J.W.

    2008-08-01

    Some years ago it was suggested that halogen negative ions [1]could offer a feasible alternative path to positive ions as a heavy ion fusion driver beam which would not suffer degradation due to electron accumulation in the accelerator and beam transport system, and which could be converted to a neutral beam by photodetachment near the chamber entrance if desired. Since then, experiments have demonstrated that negative halogen beams can be extracted and accelerated away from the gas plume near the source with a surviving current density close to what could be achieved with a positive ion of similar mass, and with comparable optical quality. In demonstrating the feasibility of halogen negative ions as heavy ion driver beams, ion - ion plasmas, an interesting and somewhat novel state of matter, were produced. These plasmas, produced near the extractor plane of the sources, appear, based upon many lines of experimental evidence, to consist of almost equal densities of positive and negative chlorine ions, with only a small component of free electrons. Serendipitously, the need to extract beams from this plasma for driver development provides a unique diagnostic tool to investigate the plasma, since each component - positive ions, negative ions, and electrons -- can be extracted and measured separately. We discuss the relevance of these observations to understanding negative ion beam extraction from electronegative plasmas such as halogens, or the more familiar hydrogen of magnetic fusion ion sources. We suggest a concept which might improve negative hydrogen extraction by the addition of a halogen. The possibility and challenges of producing ion-ion plasmas with thin targets of halogens or, perhaps, salt, is briefly addressed.

  4. Perspective on the Role of Negative Ions and Ion-Ion Plasmas in Heavy Ion Fusion Science, Magnetic Fusion Energy,and Related Fields

    Energy Technology Data Exchange (ETDEWEB)

    Grisham, L. R.; Kwan, J. W.

    2008-08-01

    Some years ago it was suggested that halogen negative ions could offer a feasible alternative path to positive ions as a heavy ion fusion driver beam which would not suffer degradation due to electron accumulation in the accelerator and beam transport system, and which could be converted to a neutral beam by photodetachment near the chamber entrance if desired. Since then, experiments have demonstrated that negative halogen beams can be extracted and accelerated away from the gas plume near the source with a surviving current density close to what could be achieved with a positive ion of similar mass, and with comparable optical quality. In demonstrating the feasibility of halogen negative ions as heavy ion driver beams, ion - ion plasmas, an interesting and somewhat novel state of matter, were produced. These plasmas, produced near the extractor plane of the sources, appear, based upon many lines of experimental evidence, to consist of almost equal densities of positive and negative chlorine ions, with only a small component of free electrons. Serendipitously, the need to extract beams from this plasma for driver development provides a unique diagnostic tool to investigate the plasma, since each component - positive ions, negative ions, and electrons - can be extracted and measured separately. We discuss the relevance of these observations to understanding negative ion beam extraction from electronegative plasmas such as halogens, or the more familiar hydrogen of magnetic fusion ion sources. We suggest a concept which might improve negative hydrogen extraction by the addition of a halogen. The possibility and challenges of producing ion - ion plasmas with thin targets of halogens or, perhaps, salt, is briefly addressed.

  5. Atomic physics with highly charged ions. Progress report, FY 1989--91

    Energy Technology Data Exchange (ETDEWEB)

    Richard, P.

    1991-08-01

    This report discusses: One electron outer shell processes in fast ion-atom collisions; role of electron-electron interaction in two-electron processes; multi-electron processes at low energy; multi-electron processes at high energy; inner shell processes; molecular fragmentation studies; theory; and, JRM laboratory operations.

  6. DOUBLE ELECTRON-CAPTURE INTO HIGHLY CHARGED IONS - CORRELATED OR INDEPENDENT

    NARCIS (Netherlands)

    POSTHUMUS, JH; LUKEY, P; MORGENSTERN, R

    1991-01-01

    We propose an independent-electron model for describing quantitatively the population of doubly excited (nlnl') states formed by two-electron capture into multiply charged ions. Population probabilities calculated by this model reproduce experimentally determined ones if one assumes that the

  7. Positively Adolescent!

    Science.gov (United States)

    Williamson, Sue

    2000-01-01

    Believes that music teachers should reassess their views toward adolescent behavior in the music classroom by learning to see their behavior in a positive light. Describes teaching strategies that build on four adolescent behaviors: (1) desire for peer acceptance; (2) abundant energy; (3) love of fun; and (4) limited time-managing skills. (CMK)

  8. Carbon Ion Therapy

    DEFF Research Database (Denmark)

    Bassler, Niels; Hansen, David Christoffer; Herrmann, Rochus;

    On the importance of choice of target size for selective boosting of hypoxic tumor subvolumina in carbon ion therapy Purpose: Functional imaging methods in radiotherapy are maturing and can to some extent uncover radio resistant structures found within a tumour entity. Selective boost of identified...... size and PTV position. Methods: Several treatment plans are produced with TRiP, using a 256x256x256 mm3 water phantom and SOBP optimization on physical dose. Box formed PTV volumes between 0.15 - 1010 cm3, and PTV positions ranging from 3 cm to 200 cm depth (relative...

  9. Calculation Of Extraction Optics For Ion System With Plazma Emitter

    CERN Document Server

    Frolov, B A

    2004-01-01

    The 2-D code for simulating of ion optics system of positive ion extraction from a plasma source is described. Example calculation of 100 kV optics for the extraction ion IHEP gun is presented. The trajectories of particles and emittance plots are resulted. The aberrations influ-ence strongly on ion optics for considered geometry.

  10. Ion beams in SEM: An experiment towards a high brightness low energy spread electron impact gas ion source

    NARCIS (Netherlands)

    Jun, D.S.; Kutchoukov, V.G.; Kruit, P.

    2011-01-01

    A next generation ion source suitable for both high resolution focused ion beam milling and imaging applications is currently being developed. The new ion source relies on a method of which positively charged ions are extracted from a miniaturized gas chamber where neutral gas atoms become ionized b

  11. Experimental investigation of ion-ion recombination at atmospheric conditions

    Directory of Open Access Journals (Sweden)

    A. Franchin

    2015-02-01

    Full Text Available We present the results of laboratory measurements of the ion-ion recombination coefficient at different temperatures, relative humidities and concentrations of ozone and sulfur dioxide. The experiments were carried out using the Cosmics Leaving OUtdoor Droplets (CLOUD chamber at CERN, the walls of which are made of conductive material, making it possible to measure small ions. We produced ions in the chamber using a 3.5 GeV c−1 beam of positively-charged pions (π+ from the CERN Proton Synchrotron (PS and with galactic cosmic rays, when the PS was switched off. The range of the ion production rate varied from 2 to 100 cm−3s−1, covering the typical range of ionization throughout the troposphere. The temperature ranged from −55 to 20 °C, the relative humidity from 0 to 70%, the SO2 concentration from 0 to 40 ppb, and the ozone concentration from 200 to 700 ppb. At 20 °C and 40% RH, the retrieved ion-ion recombination coefficient was (2.3 ± 0.7 × 10−6cm3s−1. We observed no dependency of the ion-ion recombination coefficient on ozone concentration and a weak variation with sulfur dioxide concentration. However, we found a strong dependency of the ion-ion recombination coefficient on temperature. We compared our results with three different models and found an overall agreement for temperatures above 0 °C, but a disagreement at lower temperatures. We observed a strong dependency of the recombination coefficient on relative humidity, which has not been reported previously.

  12. Performance of an inverted ion source

    Energy Technology Data Exchange (ETDEWEB)

    Salvadori, M. C.; Teixeira, F. S.; Sgubin, L. G.; Araujo, W. W. R.; Spirin, R. E. [Institute of Physics, University of Sao Paulo, C.P. 66318, CEP 05315-970, Sao Paulo S.P. (Brazil); Oks, E. M. [State University of Control Systems and Radioelectronics, Tomsk 634050 (Russian Federation); Brown, I. G. [Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

    2013-02-15

    Whereas energetic ion beams are conventionally produced by extracting ions (say, positive ions) from a plasma that is held at high (positive) potential, with ion energy determined by the potential drop through which the ions fall in the beam formation electrode system, in the device described here the plasma and its electronics are held at ground potential and the ion beam is formed and injected energetically into a space maintained at high (negative) potential. We refer to this configuration as an 'inverted ion source.' This approach allows considerable savings both technologically and economically, rendering feasible some ion beam applications, in particular small-scale ion implantation, that might otherwise not be possible for many researchers and laboratories. We have developed a device of this kind utilizing a metal vapor vacuum arc plasma source, and explored its operation and beam characteristics over a range of parameter variation. The downstream beam current has been measured as a function of extraction voltage (5-35 kV), arc current (50-230 A), metal ion species (Ti, Nb, Au), and extractor grid spacing and beamlet aperture size (3, 4, and 5 mm). The downstream ion beam current as measured by a magnetically-suppressed Faraday cup was up to as high as 600 mA, and with parametric variation quite similar to that found for the more conventional metal vapor vacuum arc ion source.

  13. Ion clearing in an ERL

    Science.gov (United States)

    Hoffstaetter, Georg H.; Liepe, Matthias

    2006-02-01

    The rest-gas in the beam-pipe of a particle accelerator is readily ionized by effects like collisions, synchrotron radiation and field emission. Positive ions are attracted to electron beams and create a nonlinear potential in the vicinity of the beam which can lead to beam halo, particle loss, optical errors or transverse and longitudinal instabilities. In an energy recovery linac (ERL) where beam-loss has to be minimal, and where beam positions and emittances have to be very stable in time, these ion effects have to be avoided. Here we investigate three measures of avoiding ion accumulation: (a) A long gap between linac bunch trains that allows ions to drift out of the beam region, a measure regularly applied in linacs; (b) a short ion clearing gap in the beam that leads to a time varying beam potential and produces large excited oscillations of ions around the electron beam, a measure regularly applied in storage rings; (c) Clearing electrodes that create a sufficient voltage to draw ions out of the beam potential, a measure used for DC electron beams and for antiproton beams. For the parameters of the X-ray ERL planned at Cornell University we show that method (a) cannot be applied, method (b) is technically cumbersome, and (c) should be most easily applicable.

  14. Molecular and negative ion production by a standard electron cyclotron resonance ion source.

    Science.gov (United States)

    Rácz, R; Biri, S; Juhász, Z; Sulik, B; Pálinkás, J

    2012-02-01

    Molecular and negative ion beams, usually produced in special ion sources, play an increasingly important role in fundamental and applied atomic physics. The ATOMKI-ECRIS is a standard ECR ion source, designed to provide highly charged ion (HCI) plasmas and beams. In the present work, H(-), O(-), OH(-), O(2)(-), C(-), C(60)(-) negative ions and H(2)(+), H(3)(+), OH(+), H(2)O(+), H(3)O(+), O(2)(+) positive molecular ions were generated in this HCI-ECRIS. Without any major modification in the source and without any commonly applied tricks (such as usage of cesium or magnetic filter), negative ion beams of several μA and positive molecular ion beams in the mA range were successfully obtained.

  15. Laser-induced positive ion and neutral atom/molecule emissions from single-crystal CaHPO4 center dot 2H20: The role of electron-beam-induced defects

    Energy Technology Data Exchange (ETDEWEB)

    Dawes, Mary L.(Washington State University); Hess, Wayne P.(BATTELLE (PACIFIC NW LAB)); Kawaguchi, Yuji (VISITORS); Langford, S C.(Washington State University); Dickinson, J. Tom (Washington State University)

    1998-11-01

    We examine laser-induced ion and neutral emissions from single-crystal CaHPO4 center dot 2H2O (brushite), a wide-band-gap, hydrated inorganic single crystal, with 248-nm excimer laser radiation. Both laser-induced ion and neutral emissions are several orders magnitude higher following exposure to 2keV electrons at current densities of 200 uA/cm2 and doses of 1 C/cm2. In addition to intense Ca+ signals, electron-irradiated surfaces yield substantial CaO+, PO+, and P+ signals. As-grown and as-cleaved brushite show only weak neutral O2 and Ca emissions, whereas electron-irradiated surfaces yield enhanced O2, Ca, PO, PO2, and P emissions. Electron irradiation (i) significantly heats the sample, leading to thermal dehydration (CaHPO4 formation) and pyrolysis (Ca2P2O7 formation)and (ii) chemically reduces the surface via electron stimulated desorption. The thermal effects are accompanied by morphological changes, including recrystallization. Although complex, these changes lead to high defect densities, which are responsible for the dramatic enhancements in the observed laser desorption.

  16. Laser-induced positive ion and neutral atom/molecule emission from single-crystal CaHPO4.2H2O: The role of electron-beam-induced defects

    Science.gov (United States)

    Dawes, M. L.; Hess, W.; Kawaguchi, Y.; Langford, S. C.; Dickinson, J. T.

    We examine laser-induced ion and neutral emissions from single-crystal CaHPO4.2H2O (brushite), a wide-band-gap, hydrated inorganic single crystal, with 248-nm excimer laser radiation. Both laser-induced ion and neutral emissions are several orders of magnitude higher following exposure to 2 keV electrons at current densities of 200 μA/cm2 and doses of 1 C/cm2. In addition to intense Ca+ signals, electron-irradiated surfaces yield substantial CaO+, PO+, and P+ signals. As-grown and as-cleaved brushite show only weak neutral O2 and Ca emissions, whereas electron-irradiated surfaces yield enhanced O2, Ca, PO, PO2, and P emissions. Electron irradiation (i) significantly heats the sample, leading to thermal dehydration (CaHPO4 formation) and pyrolysis (Ca2P2O7 formation) and (ii) chemically reduces the surface via electron stimulated desorption. The thermal effects are accompanied by morphological changes, including recrystallization. Although complex, these changes lead to high defect densities, which are responsible for the dramatic enhancements in the observed laser desorption.

  17. Effect of Atmospheric Ions on Interfacial Water

    Directory of Open Access Journals (Sweden)

    Chien-Chang Kurt Kung

    2014-11-01

    Full Text Available The effect of atmospheric positivity on the electrical properties of interfacial water was explored. Interfacial, or exclusion zone (EZ water was created in the standard way, next to a sheet of Nafion placed horizontally at the bottom of a water-filled chamber. Positive atmospheric ions were created from a high voltage source placed above the chamber. Electrical potential distribution in the interfacial water was measured using microelectrodes. We found that beyond a threshold, the positive ions diminished the magnitude of the negative electrical potential in the interfacial water, sometimes even turning it to positive. Additionally, positive ions produced by an air conditioner were observed to generate similar effects; i.e., the electrical potential shifted in the positive direction but returned to negative when the air conditioner stopped blowing. Sometimes, the effect of the positive ions from the air conditioner was strong enough to destroy the structure of interfacial water by turning the potential decidedly positive. Thus, positive air ions can compromise interfacial water negativity and may explain the known negative impact of positive ions on health.

  18. Characterization of the internal ion environment of biofilms based on charge density and shape of ion.

    Science.gov (United States)

    Kurniawan, Andi; Tsuchiya, Yuki; Eda, Shima; Morisaki, Hisao

    2015-12-01

    Biofilm polymers contain both electrically positively and negatively charged sites. These charged sites enable the biofilm to trap and retain ions leading to an important role of biofilm such as nutrient recycling and pollutant purification. Much work has focused on the ion-exchange capacity of biofilms, and they are known to adsorb ions through an exchange mechanism between the ions in solution and the ions adsorbed to the charged sites on the biofilm polymer. However, recent studies suggest that the adsorption/desorption behavior of ions in a biofilm cannot be explained solely by this ion exchange mechanism. To examine the possibility that a substantial amount of ions are held in the interstitial region of the biofilm polymer by an electrostatic interaction, intact biofilms formed in a natural environment were immersed in distilled water and ion desorption was investigated. All of the detected ion species were released from the biofilms over a short period of time, and very few ions were subsequently released over more time, indicating that the interstitial region of biofilm polymers is another ion reserve. The extent of ion retention in the interstitial region of biofilms for each ion can be determined largely by charge density, |Z|/r, where |Z| is the ion valence as absolute value and r is the ion radius. The higher |Z|/r value an ion has, the stronger it is retained in the interstitial region of biofilms. Ion shape is also a key determinant of ion retention. Spherical and non-spherical ions have different correlations between the condensation ratio and |Z|/r. The generality of these findings were assured by various biofilm samples. Thus, the internal regions of biofilms exchange ions dynamically with the outside environment.

  19. Ion acoustic solitons/double layers in two-ion plasma revisited

    Energy Technology Data Exchange (ETDEWEB)

    Lakhina, G. S., E-mail: gslakhina@gmail.com; Singh, S. V., E-mail: satyavir@iigs.iigm.res.in; Kakad, A. P., E-mail: amar@iigs.iigm.res.in [Indian Institute of Geomagnetism, New Panvel (W), Navi Mumbai 410218 (India)

    2014-06-15

    Ion acoustic solitons and double layers are studied in a collisionless plasma consisting of cold heavier ion species, a warm lighter ion species, and hot electrons having Boltzmann distributions by Sagdeev pseudo-potential technique. In contrast to the previous results, no double layers and super-solitons are found when both the heavy and lighter ion species are treated as cold. Only the positive potential solitons are found in this case. When the thermal effects of the lighter ion species are included, in addition to the usual ion-acoustic solitons occurring at M > 1 (where the Mach number, M, is defined as the ratio of the speed of the solitary wave and the ion-acoustic speed considering temperature of hot electrons and mass of the heavier ion species), slow ion-acoustic solitons/double layers are found to occur at low Mach number (M < 1). The slow ion-acoustic mode is actually a new ion-ion hybrid acoustic mode which disappears when the normalized number density of lighter ion species tends to 1 (i.e., no heavier species). An interesting property of the new slow ion-acoustic mode is that at low number density of the lighter ion species, only negative potential solitons/double layers are found whereas for increasing densities there is a transition first to positive solitons/double layers, and then only positive solitons. The model can be easily applicable to the dusty plasmas having positively charged dust grains by replacing the heavier ion species by the dust mass and doing a simple normalization to take account of the dust charge.

  20. Influence of variations in the electron-electron interaction on the ground state metric space "band structure" of a two-electron magnetic system

    Science.gov (United States)

    Sharp, P. M.; D'Amico, I.

    2016-02-01

    We consider a model system of two electrons confined in a two-dimensional harmonic oscillator potential, with the electrons interacting via an α / r2 potential, and subject to a magnetic field applied perpendicular to the plane of confinement. Our results show that variations in the strength of the electron-electron interaction generate a "band structure" in ground state metric spaces, which shares many characteristics with those generated as a result of varying the confinement potential. In particular, the metric spaces for wavefunctions, particle densities, and paramagnetic current densities all exhibit distinct "bands" and "gaps". The behavior of the polar angle of the bands also shares traits with that obtained by varying the confinement potential, but the behavior of the arc lengths of the bands on the metric space spheres can be seen to be different for the two cases and opposite for a large range of angular momentum values. The findings here and in Refs. [1,2] demonstrate that the "band structure" that arises in ground state metric spaces when a magnetic field is applied is a robust feature.

  1. Ytterbocenes as one- and two-electron reductants in their reactions with diazadienes: YbIII mixed-ligand bent-sandwich complexes containing a dianion of diazabutadiene.

    Science.gov (United States)

    Trifonov, Alexander A; Borovkov, Ivan A; Fedorova, Elena A; Fukin, Georgii K; Larionova, Joulia; Druzhkov, Nikolai O; Cherkasov, Vladimir K

    2007-01-01

    Ytterbocene [Yb(C(5)MeH(4))(2)(thf)(2)] reacts with diazabutadiene 2,6-iPr(2)C(6)H(3)-N=CH-CH=N-C(6)H(3)iPr(2)-2,6 (DAD) as a one-electron reductant to afford a bis(cyclopentadienyl) Yb(III) derivative containing a DAD radical anion [Yb(C(5)MeH(4))(2)(dad(-.))]. However, ytterbocenes [YbCp*(2)(thf)(2)] (Cp*=C(5)Me(5), C(5)Me(4)H) coordinated by sterically demanding cyclopentadienyl ligands act as two-electron reductants in their reactions with DAD. These reactions occur by abstraction of one Cp* ring and result in the formation of novel Yb(III) mixed-ligand bent-sandwich complexes, [YbCp*(dad)(thf)], in which the dianion of DAD has an uncommon terminal eta(4)-coordination to the ytterbium atom. The variable-temperature magnetic measurements of complex [Yb(C(5)Me(5))(dad)(thf)] suggest the existence of redox tautomerism for this compound.

  2. Lithium-ion batteries fundamentals and applications

    CERN Document Server

    Wu, Yuping

    2015-01-01

    Lithium-Ion Batteries: Fundamentals and Applications offers a comprehensive treatment of the principles, background, design, production, and use of lithium-ion batteries. Based on a solid foundation of long-term research work, this authoritative monograph:Introduces the underlying theory and history of lithium-ion batteriesDescribes the key components of lithium-ion batteries, including negative and positive electrode materials, electrolytes, and separatorsDiscusses electronic conductive agents, binders, solvents for slurry preparation, positive thermal coefficient (PTC) materials, current col

  3. Ge and Ti post-ion acceleration from laser ion source

    Energy Technology Data Exchange (ETDEWEB)

    Torrisi, L., E-mail: Lorenzo.Torrisi@unime.i [INFN-LNS di Catania, Via S. Sofia 62, 95123 Catania (Italy); Dipartimento di Fisica, Universita di Messina, Ctr. Papardo 31, 98166 S. Agata, Messina (Italy); Giuffrida, L. [INFN-LNS di Catania, Via S. Sofia 62, 95123 Catania (Italy); Dipartimento di Fisica, Universita di Messina, Ctr. Papardo 31, 98166 S. Agata, Messina (Italy); Rosinski, M. [Institute of Plasma Physics and Laser Microfusion, 23 Hery Str. 01-497 Warsaw (Poland); Schallhorn, C. [Department of Physics, University of California, Portola Plaza 430, 90095 Los Angeles, CA (United States)

    2010-09-15

    Laser ion sources (LIS) are employed with success to generate, in vacuum, Ge and Ti ion beams with high current, ion energy, charge states and directivity. Nanoseconds infrared laser pulses, with intensities of the order of 10{sup 10} W/cm{sup 2}, induce high ablation in Ge and Ti targets. Ions are produced in vacuum with energy distribution following the Coulomb-Boltzmann-shifted distribution and they are ejected mainly along the normal to the target surface. The free ion expansion process occurs in a constant-potential chamber placed at 30 kV positive voltage. An electric field of 5 kV/cm was used to accelerate the ions emitted from the plasma at INFN-LNS laser facility. Time-of-flight technique is employed to measure the mean ion energies of the post-accelerated particles. Ion charge states and energy distributions were measured through an ion energy spectrometer.

  4. Ge and Ti post-ion acceleration from laser ion source

    Science.gov (United States)

    Torrisi, L.; Giuffrida, L.; Rosinski, M.; Schallhorn, C.

    2010-09-01

    Laser ion sources (LIS) are employed with success to generate, in vacuum, Ge and Ti ion beams with high current, ion energy, charge states and directivity. Nanoseconds infrared laser pulses, with intensities of the order of 10 10 W/cm 2, induce high ablation in Ge and Ti targets. Ions are produced in vacuum with energy distribution following the Coulomb-Boltzmann-shifted distribution and they are ejected mainly along the normal to the target surface. The free ion expansion process occurs in a constant-potential chamber placed at 30 kV positive voltage. An electric field of 5 kV/cm was used to accelerate the ions emitted from the plasma at INFN-LNS laser facility. Time-of-flight technique is employed to measure the mean ion energies of the post-accelerated particles. Ion charge states and energy distributions were measured through an ion energy spectrometer.

  5. ION VATAMANU

    Directory of Open Access Journals (Sweden)

    l. Povar

    2012-12-01

    Full Text Available Ion Vatamanu was a chemist, writer and public figure. He was equally passionate about both his chosen fields of activity: chemistry and poetry. Chemistry, with its perfect equilibrium of logic and precision, provided inspiration for lyrical creativity, whereas poetry writing enlivened his imagination and passion for chemistry. He loved his parents. He adored his wife Elena, whom he often gifted a sea of flowers. He loved his daughters Mihaela, Mariana, and Leontina. He loved life, and he loved people.

  6. Fluorescent sensing and determination of mercury (II) ions in water

    African Journals Online (AJOL)

    2011-11-28

    Nov 28, 2011 ... towards the mercury (II) ion among various alkali, alkaline earth, and transition metal ions. The mercury (II) .... the metal stock solution was added to 13 separate test tubes. The test ..... positive curvature in Stern-Volmer plots.

  7. Surface modification using ionic liquid ion beams

    Energy Technology Data Exchange (ETDEWEB)

    Takaoka, Gikan H.; Hamaguchi, Takuya; Takeuchi, Mitsuaki; Ryuto, Hiromichi

    2014-12-15

    We developed an ionic liquid (IL) ion source using 1-butyl-3-methylimidazolium hexafluorophosphate (BMIM-PF{sub 6}) and produced IL ion beams by applying a high electric field between the tip and the extractor. Time-of-flight measurements showed that small cluster and fragment ions were contained in the positive and negative ion beams. The positive and negative cluster ions were deposited on Si(1 0 0) substrates. X-ray photoelectron spectroscopy measurements showed that the composition of the deposited layers was similar to that of an IL solvent. This suggests that a cation (A{sup +}) or an anion (B{sup −}) was attached to an IL cluster (AB){sub n}, resulting in the formation of positive cluster ions (AB){sub n}A{sup +} or negative cluster ions (AB){sub n}B{sup −}, respectively. The surfaces of the IL layers deposited on Si(1 0 0) substrates were flat at an atomic level for positive and negative cluster ion irradiation. Moreover, the contact angles of the deposited layers were similar to that of the IL solvent. Thus, surface modification of Si(1 0 0) substrates was successfully demonstrated with BMIM-PF{sub 6} cluster ion beams.

  8. Ion current rectification inversion in conic nanopores: nonequilibrium ion transport biased by ion selectivity and spatial asymmetry.

    Science.gov (United States)

    Yan, Yu; Wang, Lin; Xue, Jianming; Chang, Hsueh-Chia

    2013-01-28

    We show both theoretically and experimentally that the ion-selectivity of a conic nanopore, as defined by a normalized density of the surface charge, significantly affects ion current rectification across the pore. For weakly selective negatively charged pores, intra-pore ion transport controls the current and internal ion enrichment/depletion at positive/reverse biased voltage (current enters/leaves through the tip, respectively), which is responsible for current rectification. For strongly selective negatively charged pores under positive bias, the current can be reduced by external field focusing and concentration depletion at the tip at low ionic strengths and high voltages, respectively. These external phenomena produce a rectification inversion for highly selective pores at high (low) voltage (ionic strength). With an asymptotic analysis of the intra-pore and external ion transport, we derive simple scaling laws to quantitatively capture empirical and numerical data for ion current rectification and rectification inversion of conic nanopores.

  9. Electron Beam Ion Sources

    OpenAIRE

    Zschornacka, G.; Schmidt, M.; Thorn, A.

    2014-01-01

    Electron beam ion sources (EBISs) are ion sources that work based on the principle of electron impact ionization, allowing the production of very highly charged ions. The ions produced can be extracted as a DC ion beam as well as ion pulses of different time structures. In comparison to most of the other known ion sources, EBISs feature ion beams with very good beam emittances and a low energy spread. Furthermore, EBISs are excellent sources of photons (X-rays, ultraviolet, extreme ultraviole...

  10. Enhanced catalytic four-electron dioxygen (O2) and two-electron hydrogen peroxide (H2O2) reduction with a copper(II) complex possessing a pendant ligand pivalamido group.

    Science.gov (United States)

    Kakuda, Saya; Peterson, Ryan L; Ohkubo, Kei; Karlin, Kenneth D; Fukuzumi, Shunichi

    2013-05-01

    A copper complex, [(PV-tmpa)Cu(II)](ClO4)2 (1) [PV-tmpa = bis(pyrid-2-ylmethyl){[6-(pivalamido)pyrid-2-yl]methyl}amine], acts as a more efficient catalyst for the four-electron reduction of O2 by decamethylferrocene (Fc*) in the presence of trifluoroacetic acid (CF3COOH) in acetone as compared with the corresponding copper complex without a pivalamido group, [(tmpa)Cu(II)](ClO4)2 (2) (tmpa = tris(2-pyridylmethyl)amine). The rate constant (k(obs)) of formation of decamethylferrocenium ion (Fc*(+)) in the catalytic four-electron reduction of O2 by Fc* in the presence of a large excess CF3COOH and O2 obeyed first-order kinetics. The k(obs) value was proportional to the concentration of catalyst 1 or 2, whereas the k(obs) value remained constant irrespective of the concentration of CF3COOH or O2. This indicates that electron transfer from Fc* to 1 or 2 is the rate-determining step in the catalytic cycle of the four-electron reduction of O2 by Fc* in the presence of CF3COOH. The second-order catalytic rate constant (k(cat)) for 1 is 4 times larger than the corresponding value determined for 2. With the pivalamido group in 1 compared to 2, the Cu(II)/Cu(I) potentials are -0.23 and -0.05 V vs SCE, respectively. However, during catalytic turnover, the CF3COO(-) anion present readily binds to 2 shifting the resulting complex's redox potential to -0.35 V. The pivalamido group in 1 is found to inhibit anion binding. The overall effect is to make 1 easier to reduce (relative to 2) during catalysis, accounting for the relative k(cat) values observed. 1 is also an excellent catalyst for the two-electron two-proton reduction of H2O2 to water and is also more efficient than is 2. For both complexes, reaction rates are greater than for the overall four-electron O2-reduction to water, an important asset in the design of catalysts for the latter.

  11. Trapping ions with lasers

    CERN Document Server

    Cormick, Cecilia; Morigi, Giovanna

    2010-01-01

    This work theoretically addresses the trapping an ionized atom with a single valence electron by means of lasers, analyzing qualitatively and quantitatively the consequences of the net charge of the particle. In our model, the coupling between the ion and the electromagnetic field includes the charge monopole and the internal dipole, within a multipolar expansion of the interaction Hamiltonian. Specifically, we perform a Power-Zienau-Woolley transformation, taking into account the motion of the center of mass. The net charge produces a correction in the atomic dipole which is of order $m_e/M$ with $m_e$ the electron mass and $M$ the total mass of the ion. With respect to neutral atoms, there is also an extra coupling to the laser field which can be approximated by that of the monopole located at the position of the center of mass. These additional effects, however, are shown to be very small compared to the dominant dipolar trapping term.

  12. Ion Beam Extraction by Discrete Ion Focusing

    DEFF Research Database (Denmark)

    2010-01-01

    An apparatus (900) and methods are disclosed for ion beam extraction. In an implementation, the apparatus includes a plasma source (or plasma) (802) and an ion extractor (804). The plasma source is adapted to generate ions and the ion extractor is immersed in the plasma source to extract a fraction...... of the generated ions. The ion extractor is surrounded by a space charge (810) formed at least in part by the extracted ions. The ion extractor includes a biased electrode (806) forming an interface with an insulator (808). The interface is customized to form a strongly curved potential distribution (812......) in the space-charge surrounding the ion extractor. The strongly curved potential distribution focuses the extracted ions towards an opening (814) on a surface of the biased electrode thereby resulting in an ion beam....

  13. Numerical Simulation Multicomponent Ion Beam Transport form ECR Ion Source

    Institute of Scientific and Technical Information of China (English)

    MaLei; SongMingtao; ZhangZimin; CaoYun

    2003-01-01

    In order to simulate the transport of multi-components ion beam extracted from an ECR ion source, we have developed a multi-charged ion beam transport program named MCIBS 1.0. The program is dedicated to numerical simulation of the behavior of highly-charged ion beam and optimization of beam optics in transport lines and is realized on a PC with Windows user interface of Microsoft Visual Basic. Among all the ions with different charge states in the beam, the exchanges of electrons between highly charged ions and low charged ions or neutral,atoms of residual gas are taken into account by using classical Molecular Over-barrier Model and Monte Carlo method. An advanced Windows graphical interface makes it; comfortable and friendly for the user to operate in an interactive mode. The present program is used for the numerical calculation and optimization of beam optics in a transport line consisting of various magnetic elements, such as dipole magnet, quadrupole and so on. It is possible to simultaneously simulate 200,000 particles, in a transport line of 340 m at most, and show every particle orbit. Beam cross section graphics and emittance phase pictures can be also shown at any position in the transport line.

  14. Instrumentation: Ion Chromatography.

    Science.gov (United States)

    Fritz, James S.

    1987-01-01

    Discusses the importance of ion chromatography in separating and measuring anions. The principles of ion exchange are presented, along with some applications of ion chromatography in industry. Ion chromatography systems are described, as well as ion pair and ion exclusion chromatography, column packings, detectors, and programming. (TW)

  15. Universal transport signatures in two-electron molecular quantum dots: gate-tunable Hund's rule, underscreened Kondo effect and quantum phase transitions.

    Science.gov (United States)

    Florens, Serge; Freyn, Axel; Roch, Nicolas; Wernsdorfer, Wolfgang; Balestro, Franck; Roura-Bas, Pablo; Aligia, A A

    2011-06-22

    We review here some universal aspects of the physics of two-electron molecular transistors in the absence of strong spin-orbit effects. Several recent quantum dot experiments have shown that an electrostatic backgate could be used to control the energy dispersion of magnetic levels. We discuss how the generally asymmetric coupling of the metallic contacts to two different molecular orbitals can indeed lead to a gate-tunable Hund's rule in the presence of singlet and triplet states in the quantum dot. For gate voltages such that the singlet constitutes the (non-magnetic) ground state, one generally observes a suppression of low voltage transport, which can yet be restored in the form of enhanced cotunneling features at finite bias. More interestingly, when the gate voltage is controlled to obtain the triplet configuration, spin S = 1 Kondo anomalies appear at zero bias, with non-Fermi liquid features related to the underscreening of a spin larger than 1/2. Finally, the small bare singlet-triplet splitting in our device allows fine-tuning with the gate between these two magnetic configurations, leading to an unscreening quantum phase transition. This transition occurs between the non-magnetic singlet phase, where a two-stage Kondo effect occurs, and the triplet phase, where the partially compensated (underscreened) moment is akin to a magnetically 'ordered' state. These observations are put theoretically into a consistent global picture by using new numerical renormalization group simulations, tailored to capture sharp finite-voltage cotunneling features within the Coulomb diamonds, together with complementary out-of-equilibrium diagrammatic calculations on the two-orbital Anderson model. This work should shed further light on the complicated puzzle still raised by multi-orbital extensions of the classic Kondo problem.

  16. Two-electron reduced density matrices from the anti-Hermitian contracted Schrodinger equation: enhanced energies and properties with larger basis sets.

    Science.gov (United States)

    Mazziotti, David A

    2007-05-14

    Two-electron reduced density matrices (2-RDMs) have recently been directly determined from the solution of the anti-Hermitian contracted Schrodinger equation (ACSE) to obtain 95%-100% of the ground-state correlation energy of atoms and molecules, which significantly improves upon the accuracy of the contracted Schrodinger equation (CSE) [D. A. Mazziotti, Phys. Rev. Lett. 97, 143002 (2006)]. Two subsets of the CSE, the ACSE and the contraction of the CSE onto the one-particle space, known as the 1,3-CSE, have two important properties: (i) dependence upon only the 3-RDM and (ii) inclusion of all second-order terms when the 3-RDM is reconstructed as only a first-order functional of the 2-RDM. The error in the 1,3-CSE has an important role as a stopping criterion in solving the ACSE for the 2-RDM. Using a computationally more efficient implementation of the ACSE, the author treats a variety of molecules, including H2O, NH3, HCN, and HO3-, in larger basis sets such as correlation-consistent polarized double- and triple-zeta. The ground-state energy of neon is also calculated in a polarized quadruple-zeta basis set with extrapolation to the complete basis-set limit, and the equilibrium bond length and harmonic frequency of N2 are computed with comparison to experimental values. The author observes that increasing the basis set enhances the ability of the ACSE to capture correlation effects in ground-state energies and properties. In the triple-zeta basis set, for example, the ACSE yields energies and properties that are closer in accuracy to coupled cluster with single, double, and triple excitations than to coupled cluster with single and double excitations. In all basis sets, the computed 2-RDMs very closely satisfy known N-representability conditions.

  17. Over-the-barrier electron detachment in the hydrogen negative ion

    CERN Document Server

    Milosevic, M Z

    2016-01-01

    The electron detachment from the hydrogen negative ion in strong fields is studied using the two-electron and different single-electron models within the quasistatic approximation. A special attention is payed to over-the-barrier regime where the Stark saddle is suppressed below the lowest energy level. It is demonstrated that the single-electron description of the lowest state of ion, that is a good approximation for weak fields, fails in this and partially in the tunneling regime. The exact lowest state energies and detachment rates for the ion at different strengths of the applied field are determined by solving the eigenvalue problem of the full two-electron Hamiltonian. An accurate formula for the rate, that is valid in both regimes, is determined by fitting the exact data to the expression estimated using single-electron descriptions.

  18. Carbon nanodots as a matrix for the analysis of low-molecular-weight molecules in both positive- and negative-ion matrix-assisted laser desorption/ionization time-of-flight mass spectrometry and quantification of glucose and uric acid in real samples.

    Science.gov (United States)

    Chen, Suming; Zheng, Huzhi; Wang, Jianing; Hou, Jian; He, Qing; Liu, Huihui; Xiong, Caiqiao; Kong, Xianglei; Nie, Zongxiu

    2013-07-16

    Carbon nanodots were applied for the first time as a new matrix for the analysis of low-molecular-weight compounds by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) in both positive- and negative-ion modes. A wide range of small molecules including amino acids, peptides, fatty acids, as well as β-agonists and neutral oligosaccharides were analyzed by MALDI MS with carbon nanodots as the matrix, and the lowest 0.2 fmol limits-of-detection were obtained for octadecanoic acid. Clear sodium and potassium adducts and deprotonated signals were produced in positive- and negative-ion modes. Furthermore, the glucose and uric acid in real samples were quantitatively determined by the internal standard method with the linear range of 0.5-9 mM and 0.1-1.8 mM (R(2) > 0.999), respectively. This work gives new insight into the application of carbon nanodots and provides a general approach for rapid analysis of low-molecular-weight compounds.

  19. An investigation of secondary ion yield enhancement using Bin2+ (n=1,3,5) primary ions.

    Science.gov (United States)

    Nagy, Gabriella; Lu, Peng; Walker, Amy V

    2008-01-01

    We have investigated secondary ion yield enhancement using Bin2+ (n=1, 3, 5) primary ions impacting phenylalanine, 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC), 1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine (DPPE), cholesterol, Irganox 1010, and polymer films adsorbed on silicon and aluminum. Secondary ion yields are increased using Bi2+and Bi3(2+) primary ions for the molecular layers and polymers that can undergo allyl cation rearrangements. For Irganox 1010, the deprotonated molecular ion yields (m/z 1175; [M-H]-) are one to two times larger for Bi2+ and Bi(3)2+ primary ions than for Bi+ and Bi3+ at the same primary ion velocities. In the positive ion mode, the largest fragment ion yield (m/z 899) is 1.5 times larger for Bi2+ ions than for Bi+. For Bi3(2+) the largest fragment ion yield is only 70% of the ion yield using Bi3+, but the secondary ion yields of the fragment ions at m/z 57 and 219 are enhanced. For polymers that can undergo allyl cation rearrangement reactions the secondary ion yield enhancements of the monomer ions range from 1.3 to 4.3. For Bi(5)2+ primary ions, secondary ion yields were the same or slightly larger than for Bi5+ in the negative ion mass spectra for Irganox 1010, but lower in the positive ion mode. No secondary ion yield enhancements were measured on polymer samples for Bi5(2+). For all polymer films studied, secondary ion intensities from the oligomer regions are substantially decreased using Bin2+ (n=1, 3, 5). We discuss differences in the ionization mechanisms for doubly and singly-charged Bi primary ion bombardment.

  20. Two different cationic positions in Cu-SSZ-13?

    Science.gov (United States)

    Hun Kwak, Ja; Zhu, Haiyang; Lee, Jong H; Peden, Charles H F; Szanyi, János

    2012-05-16

    H(2)-TPR and FTIR were used to characterize the nature of the Cu ions present in the Cu-SSZ-13 zeolite at different ion exchange levels. The results obtained are consistent with the presence of Cu ions at two distinct cationic positions in the SSZ-13 framework.

  1. Two different cationic positions in Cu-SSZ-13?

    Energy Technology Data Exchange (ETDEWEB)

    Kwak, Ja Hun; Zhu, Haiyang; Lee, Jong H.; Peden, Charles HF; Szanyi, Janos

    2012-04-18

    H2-TPR and FTIR were used to characterize the Cu ions present in Cu-SSZ-13 zeolite at different ion exchange levels. The results obtained are consistent with the presence of Cu ions in two distinct cationic positions of the SSZ-13 framework.

  2. Ion Trapping, Storage, and Ejection in Structures for Lossless Ion Manipulations.

    Science.gov (United States)

    Zhang, Xinyu; Garimella, Sandilya V B; Prost, Spencer A; Webb, Ian K; Chen, Tsung-Chi; Tang, Keqi; Tolmachev, Aleksey V; Norheim, Randolph V; Baker, Erin S; Anderson, Gordon A; Ibrahim, Yehia M; Smith, Richard D

    2015-06-16

    A new Structures for Lossless Ion Manipulations (SLIM) module, having electrode arrays patterned on a pair of parallel printed circuit boards (PCB), was constructed and utilized to investigate capabilities for ion trapping at a pressure of 4 Torr. Positive ions were confined by application of RF voltages to a series of inner rung electrodes with alternating phase on adjacent electrodes, in conjunction with positive DC potentials on surrounding guard electrodes on each PCB. An axial DC field was also introduced by stepwise varying the DC potentials applied to the inner rung electrodes to control the ion transport and accumulation inside the ion trapping region. We show that ions can be trapped and accumulated with up to 100% efficiency, stored for at least 5 h with no significant losses, and then could be rapidly ejected from the SLIM trap. The present results provide a foundation for the development of much more complex SLIM devices that facilitate extended ion manipulations.

  3. Atomic physics with highly charged ions. Progress report

    Energy Technology Data Exchange (ETDEWEB)

    Richard, P.

    1994-08-01

    The study of inelastic collision phenomena with highly charged projectile ions and the interpretation of spectral features resulting from these collisions remain as the major focal points in the atomic physics research at the J.R. Macdonald Laboratory, Kansas State University, Manhattan, Kansas. The title of the research project, ``Atomic Physics with Highly Charged Ions,`` speaks to these points. The experimental work in the past few years has divided into collisions at high velocity using the primary beams from the tandem and LINAC accelerators and collisions at low velocity using the CRYEBIS facility. Theoretical calculations have been performed to accurately describe inelastic scattering processes of the one-electron and many-electron type, and to accurately predict atomic transition energies and intensities for x rays and Auger electrons. Brief research summaries are given for the following: (1) electron production in ion-atom collisions; (2) role of electron-electron interactions in two-electron processes; (3) multi-electron processes; (4) collisions with excited, aligned, Rydberg targets; (5) ion-ion collisions; (6) ion-molecule collisions; (7) ion-atom collision theory; and (8) ion-surface interactions.

  4. Characterization of ions at Alpine waterfalls

    Directory of Open Access Journals (Sweden)

    P. Kolarž

    2011-09-01

    Full Text Available During a three-year field campaign of measuring waterfall generated ions, we monitored five different waterfalls in the Austrian Alps. Most measurements were performed at the Krimml waterfall (Salzburg, which is the biggest and most visited one in Europe and the Gartl waterfall (Mölltal, Carinthia. Smallest ion sizes (0.9–2 nm were measured with a cylindrical air ion detector (CDI-06 while ion sizes from 5.5 to 350 nm were measured using a modified Grimm SMPS aerosol spectrometer. Measurements showed high negative ion gradients nearby waterfalls whereas positive ions showed only a moderate increase. The most abundant sizes of nano-sized and sub-micrometer ions measured were at 2 nm and of the larger and heavier ones at 120 nm.

  5. Contribution to the study of Li{sub x}(Co,M)O{sub 2} phases used as cathodes in Li-ion batteries. Combined effects of the lithium sur-stoichiometry and of the substitution (M = Ni, Mg); Contribution a l'etude des phases Li{sub x}(Co,M)O{sub 2} en tant que materiaux d'electrode positive des batteries Li-ion. Effets combines de la surstoechiometrie en lithium et de la substitution (M = Ni, Mg)

    Energy Technology Data Exchange (ETDEWEB)

    Levasseur, St.

    2001-12-01

    Li{sub x0}(Co,M)O{sub 2} (M = Ni, Mg; x0 {<=} 1.0) materials used as positive electrode for Li-ion batteries have been prepared at high temperature (900 degrees C) and characterized by X-ray diffraction, galvano-static measurements, {sup 7}Li MAS NMR spectroscopy and electrical properties measurements. If the results on the LiCoO{sub 2} phase agree with the literature, the adding of an excess of lithium during synthesis leads to the presence in the actual materials to the presence of oxygen vacancies and intermediate spin Co{sup 3+} ions (Co{sup 3+(IS)}) in a square-based environment. This defect suppresses all the phase transitions usually observed upon lithium de-intercalation in Li{sub x}CoO{sub 2}. The partial substitution by Ni ions allows us to separate the relative contribution of Ni(III) and Co{sup 3+(IS)} ions in the suppression of the various phase transitions upon cycling. Mg doping, even without any lithium excess, systematically induces some oxygen vacancies and Co{sup 3+(IS)} ions in the material. This observation had been correlated to the behaviour of the Li{sub x}(Co,Mg)O{sub 2} system upon cycling. (author)

  6. Bands of ions and angular V's - A conjugate manifestation of ionospheric ion acceleration

    Science.gov (United States)

    Winningham, J. D.; Burch, J. L.; Frahm, R. A.

    1984-01-01

    Data from the hot plasma instruments on Dynamics Explorer 1 and 2 spacecraft have been used to study the injection, drift, and subsequent precipitation of suprathermal positive ions in the auroral zone. The observation at both high and low altitudes of electron inverted 'V' events in the boundary plasma sheet (BPS) and of ion 'bands' (energy decreasing with decreasing latitude) in the adjacent central plasma sheet (CPS) leads to the following ion injection model: upward-moving energetic ion beams are injected onto BPS magnetic field lines by the electrostatic potential drops associated with electron inverted V's. As the ion beams move toward the equator and into the conjugate hemisphere they are convected to lower latitudes and into the CPS. The energy-latitude dependence of the ion bands, coupled with concurrent ion convection measurements, indicate that the ion distributions are primarily O(+), in agreement with their postulated ionospheric source.

  7. Radioactive ions and atoms in superfluid helium

    NARCIS (Netherlands)

    Dendooven, P.G.; Purushothaman, S.; Gloos, K.; Aysto, J.; Takahashi, N.; Huang, W.; Harissopulos, S; Demetriou, P; Julin, R

    2006-01-01

    We are investigating the use of superfluid helium as a medium to handle and manipulate radioactive ions and atoms. Preliminary results on the extraction of positive ions from superfluid helium at temperatures close to 1 K are described. Increasing the electric field up to 1.2 kV/cm did not improve t

  8. Crystal effects in the neutralization of He+ ions in the low energy ion scattering regime.

    Science.gov (United States)

    Primetzhofer, D; Markin, S N; Juaristi, J I; Taglauer, E; Bauer, P

    2008-05-30

    Investigating possible crystal effects in ion scattering from elemental surfaces, measurements of the positive ion fraction P+ are reported for He+ ions scattered from single and polycrystalline Cu surfaces. In the Auger neutralization regime, the ion yield is determined by scattering from the outermost atomic layer. For Cu(110) P+ exceeds that for polycrystalline Cu by up to a factor of 2.5, thus exhibiting a strong crystal effect. It is much less pronounced at higher energies, i.e., in the reionization regime. However, there a completely different angular dependence of the ion yield is observed for poly- and single crystals, due to massive subsurface contributions in nonchanneling directions.

  9. Computer-Controlled, Motorized Positioning System

    Science.gov (United States)

    Vargas-Aburto, Carlos; Liff, Dale R.

    1994-01-01

    Computer-controlled, motorized positioning system developed for use in robotic manipulation of samples in custom-built secondary-ion mass spectrometry (SIMS) system. Positions sample repeatably and accurately, even during analysis in three linear orthogonal coordinates and one angular coordinate under manual local control, or microprocessor-based local control or remote control by computer via general-purpose interface bus (GPIB).

  10. Measurement of ultra-low ion energy of decelerated ion beam using a deflecting electric field

    Energy Technology Data Exchange (ETDEWEB)

    Thopan, P.; Suwannakachorn, D.; Tippawan, U. [Plasma and Beam Physics Research Facility, Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Yu, L.D., E-mail: yuld@thep-center.org [Plasma and Beam Physics Research Facility, Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Thailand Center of Excellence in Physics, Commission on Higher Education, 328 Si Ayutthaya Road, Bangkok 10400 (Thailand)

    2015-12-15

    In investigation on ultra-low-energy ion bombardment effect on DNA, an ion beam deceleration lens was developed for high-quality ultra-low-energy ion beam. Measurement of the ion energy after deceleration was necessary to confirm the ion beam really decelerated as theoretically predicted. In contrast to conventional methods, this work used a simple deflecting electrostatic field after the deceleration lens to bend the ion beam. The beam bending distance depended on the ion energy and was described and simulated. A system for the measurement of the ion beam energy was constructed. It consisted of a pair of parallel electrode plates to generate the deflecting electrical field, a copper rod measurement piece to detect ion beam current, a vernier caliper to mark the beam position, a stepping motor to translate the measurement rod, and a webcam-camera to read the beam bending distance. The entire system was installed after the ion-beam deceleration lens inside the large chamber of the bioengineering vertical ion beam line. Moving the measurement rod across the decelerated ion beam enabled to obtain beam profiles, from which the beam bending distance could be known and the ion beam energy could be calculated. The measurement results were in good agreement with theoretical and simulated results.

  11. Measurement of ultra-low ion energy of decelerated ion beam using a deflecting electric field

    Science.gov (United States)

    Thopan, P.; Suwannakachorn, D.; Tippawan, U.; Yu, L. D.

    2015-12-01

    In investigation on ultra-low-energy ion bombardment effect on DNA, an ion beam deceleration lens was developed for high-quality ultra-low-energy ion beam. Measurement of the ion energy after deceleration was necessary to confirm the ion beam really decelerated as theoretically predicted. In contrast to conventional methods, this work used a simple deflecting electrostatic field after the deceleration lens to bend the ion beam. The beam bending distance depended on the ion energy and was described and simulated. A system for the measurement of the ion beam energy was constructed. It consisted of a pair of parallel electrode plates to generate the deflecting electrical field, a copper rod measurement piece to detect ion beam current, a vernier caliper to mark the beam position, a stepping motor to translate the measurement rod, and a webcam-camera to read the beam bending distance. The entire system was installed after the ion-beam deceleration lens inside the large chamber of the bioengineering vertical ion beam line. Moving the measurement rod across the decelerated ion beam enabled to obtain beam profiles, from which the beam bending distance could be known and the ion beam energy could be calculated. The measurement results were in good agreement with theoretical and simulated results.

  12. The Analysis of Microelement and Ion from Alcohol-positive Milk Blood Serum and Milk Serum%酒精阳性乳患牛血清及乳清离子和微量元素分析

    Institute of Scientific and Technical Information of China (English)

    关宏玉; 龚美光; 林洪金

    2011-01-01

    通过检测不同酒精阳性乳血清和乳清中Ca2+、Mg2+、Na+、K+浓度及Cu、Zn、Fe、Mn含量,探讨其与酒精阳性乳的关系,结果显示,酒精阳性乳患牛体内的微量元素Zn、Cu和Fe代谢紊乱,会导致抗氧化酶的活性降低、毒性产物含量升高而使自由基代谢平衡紊乱,且Zn、Cu含量的缺乏会降低机体的免疫力;患牛乳中过多的Ca2+、Mg2+中和酪蛋白微胶粒表面的电荷,导致酪蛋白稳定性下降,致使乳胶体聚集能力增强;这些都易导致酒精阳性乳的形成.%To approach its influence to alcohol-positive milk,detecting the level of Ca2+ , Mg2+ , Na+ , K+ and the content of Cu, Zn, Fe, Mn in blood serum and milk serum. The results indicated that Zn,Cu and Fe metabolic disorder,antioxidase active to cut down; redundant Ca2+ and Mg2+ neutralize the electric charge of casein to stability low down of casein, this made aggregation reinforce of reinforce, all of these can induce alcohol-positive milk.

  13. 提高锂离子电池正极材料LiFePO4电导率的方法%Study on the conductivity improvement of positive electrode material LiFePO4 for Li-ion battery

    Institute of Scientific and Technical Information of China (English)

    周骏; 李琪; 乔庆东

    2011-01-01

    As a new type positive electrode material for lithium ion battery, olivine lithium iron phosphate has advantages of abundance source, low cost, high specific theory capacity (about 170 mA · h/ g) ,good thermal stability, little hygroscopicity and environmental friendly. It can be expected as the first candidate of positive electrode material instead of lithium cobaltate (LiCoO2) for lithium ion battery. The structural characteristic and the reasons for the loss of initial discharge capacity of olivinetype positive electrode material of LiFePO4 for Li-ion battery are analyzed. The progresses in modified research of electrochemical properties of LiFePO4 at home and abroad in recent years are reviewed. Especially the effects of the methods of optimizing synthetic technology and adding the conductive materials on the LiFePO4 are introduced, and the developing trend of LiFePO4 is also prospected.%橄榄石型结构的LIFePO作为一种新型的锂离子电池正极材料,具有材料来源广泛、价格便宜、理论比容量高(约170 mAh/g)、热稳定性好、无吸湿性、对环境友好等优点,近年来引起人们的广泛关注,可望成为新一代首选替代LiCoO的锂离子二次电池正极材料.分析了锂离子电池正极材料橄榄石型LiFePO的结构特点和LiFePO首次放电容量损失的原因,评述了近年来国内外对于改善LiFePO的电化学性能所进行的改性研究,重点介绍了优化合成工艺、添加导电材料等方法对锂离子电池正极材料LiFePO的影响,并对其发展前景作了展望.

  14. Multicusp sources for ion beam projection lithography

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Y.; Gough, R.A.; Kunkel, W.B.; Leung, K.N.; Vujic, J.; Williams, M.D.; Wutte, D.; Zahir, N. [Lawrence Berkeley National Laboratory, University of California, Berkeley, California 94720 (United States)

    1998-02-01

    Multicusp ion sources are capable of producing positive and negative ions with good beam quality and low energy spread. The ion energy spread of multicusp sources has been measured by three different techniques. The axial ion energy spread has been reduced by introducing a magnetic filter inside the multicusp source chamber which adjusts the plasma potential distribution. The axial energy spread is further reduced by optimizing the source configuration. Values as low as 0.8 eV have been achieved. {copyright} {ital 1998 American Institute of Physics.}

  15. A tandem time–of–flight spectrometer for negative–ion/positive–ion coincidence measurements with soft x-ray excitation

    Energy Technology Data Exchange (ETDEWEB)

    Stråhlman, Christian, E-mail: Christian.Strahlman@maxlab.lu.se; Sankari, Rami; Nyholm, Ralf [MAX IV Laboratory, Lund University, P.O. Box 118, 22100 Lund (Sweden); Kivimäki, Antti [Consiglio Nazionale delle Ricerche—Istituto Officina dei Materiali, Laboratorio TASC, 34149 Trieste (Italy); Richter, Robert [Elettra–Sincrotrone Trieste, Area Science Park, 34149 Trieste (Italy); Coreno, Marcello [Consiglio Nazionale delle Ricerche—Istituto di Struttura della Materia, 34149 Trieste (Italy)

    2016-01-15

    We present a newly constructed spectrometer for negative–ion/positive–ion coincidence spectroscopy of gaseous samples. The instrument consists of two time–of–flight ion spectrometers and a magnetic momentum filter for deflection of electrons. The instrument can measure double and triple coincidences between mass–resolved negative and positive ions with high detection efficiency. First results include identification of several negative–ion/positive–ion coincidence channels following inner-shell photoexcitation of sulfur hexafluoride (SF{sub 6})

  16. LiNi0.8Co0.2O2-based high-power lithium-ion battery positive electrodes analyzed by X-ray photoelectron spectroscopy: 4. Following calendar-life test for 8 weeks at 50 °C, 60% state-of-charge (3.747 V)

    Energy Technology Data Exchange (ETDEWEB)

    Abraham, Daniel A; Haasch, Richard T.

    2017-01-01

    High-power lithium-ion batteries are rapidly replacing the nickel metal hydride batteries currently used for energy storage in hybrid electric vehicles. Widespread commercialization of these batteries for vehicular applications is, however, limited by calendar-life performance, thermal abuse characteristics, and cost. The Advanced Technology Development Program was established by the U.S. Department of Energy to address these limitations. An important objective of this program was the development and application of diagnostic tools that provide unique ways to investigate the phenomena that limit lithium-ion cell life, performance, and safety characteristics. This report introduces a set of six Surface Science Spectra xray photoelectron spectroscopy (XPS) comparison records of data collected from positive electrodes (cathode) harvested from cylindrically wound, 18650-type, 1 A h capacity cells. The cathodes included in this study are (1) fresh, (2) following three formation cycles, (3) following calendar-life test for 12 weeks at 40 C, 60% state-of-charge (SOC), (4) following calendar-life test for 8 weeks at 50 C, 60% SOC, (5) following calendar-life test for 8 weeks at 60 C, 60% SOC, and (6) following calendar-life test for 2 weeks at 70 C, 60% SOC.

  17. LiNi 0.8 Co 0.2 O 2 -based high power lithium-ion battery positive electrodes analyzed by x-ray photoelectron spectroscopy: 3. Following calendar-life test for 12 weeks at 40 °C, 60% state-of-charge (3.747 V)

    Energy Technology Data Exchange (ETDEWEB)

    Haasch, Richard T.; Abraham, Daniel A.

    2016-12-01

    High-power lithium-ion batteries are rapidly replacing the nickel metal hydride batteries currently used for energy storage in hybrid electric vehicles. Widespread commercialization of these batteries for vehicular applications is, however, limited by calendar-life performance, thermal abuse characteristics, and cost. The Advanced Technology Development Program was established by the U.S. Department of Energy to address these limitations. An important objective of this program was the development and application of diagnostic tools that provide unique ways to investigate the phenomena that limit lithium-ion cell life, performance, and safety characteristics. This report introduces a set of six Surface Science Spectra xray photoelectron spectroscopy (XPS) comparison records of data collected from positive electrodes (cathode) harvested from cylindrically wound, 18650-type, 1 A h capacity cells. The cathodes included in this study are (1) fresh, (2) following three formation cycles, (3) following calendar-life test for 12 weeks at 40 C, 60% state-of-charge (SOC), (4) following calendar-life test for 8 weeks at 50 C, 60% SOC, (5) following calendar-life test for 8 weeks at 60 C, 60% SOC, and (6) following calendar-life test for 2 weeks at 70 C, 60% SOC.

  18. Ion funnel ion trap and process

    Science.gov (United States)

    Belov, Mikhail E [Richland, WA; Ibrahim, Yehia M [Richland, WA; Clowers, Biran H [West Richland, WA; Prior, David C [Hermiston, OR; Smith, Richard D [Richland, WA

    2011-02-15

    An ion funnel trap is described that includes a inlet portion, a trapping portion, and a outlet portion that couples, in normal operation, with an ion funnel. The ion trap operates efficiently at a pressure of .about.1 Torr and provides for: 1) removal of low mass-to-charge (m/z) ion species, 2) ion accumulation efficiency of up to 80%, 3) charge capacity of .about.10,000,000 elementary charges, 4) ion ejection time of 40 to 200 .mu.s, and 5) optimized variable ion accumulation times. Ion accumulation with low concentration peptide mixtures has shown an increase in analyte signal-to-noise ratios (SNR) of a factor of 30, and a greater than 10-fold improvement in SNR for multiply charged analytes.

  19. Experimental positions and lifetimes of Be-like 1s{sup 2}3lnl'(n=3 to 5) states of O{sup 4+} and Ne{sup 6+} ions investigated by high resolution electron spectroscopy: test of calculations

    Energy Technology Data Exchange (ETDEWEB)

    Bordenave-Montesquieu, A.; Moretto-Capelle, P.; Bordenave-Montesquieu, D. [Univ. Paul Sabatier, Toulouse (France). Lab. Collisions - Agregats - Reactivite

    1999-07-01

    Using high resolution electron spectroscopy, positions and lifetimes of many Be-like singlet states of the 1s{sup 2}3lnl' Rydberg series (n = 3 to 5) of oxygen and neon have been measured for the first time. This was achieved by a fitting procedure which takes into account an accurate definition of the post-collisional electron lineshapes. These states are produced after a double electron capture by multicharged ions has occurred in O{sup 6+}(1s{sup 2})+He, H{sub 2} and Ne{sup 8+}(1s{sup 2})+He collisions at about 4 keV/amu collision energy. (orig.)

  20. Plasma ion sources and ion beam technology inmicrofabrications

    Energy Technology Data Exchange (ETDEWEB)

    Ji, Lili [Univ. of California, Berkeley, CA (United States)

    2007-01-01

    For over decades, focused ion beam (FIB) has been playing a very important role in microscale technology and research, among which, semiconductor microfabrication is one of its biggest application area. As the dimensions of IC devices are scaled down, it has shown the need for new ion beam tools and new approaches to the fabrication of small-scale devices. In the meanwhile, nanotechnology has also deeply involved in material science research and bioresearch in recent years. The conventional FIB systems which utilize liquid gallium ion sources to achieve nanometer scale resolution can no longer meet the various requirements raised from such a wide application area such as low contamination, high throughput and so on. The drive towards controlling materials properties at nanometer length scales relies on the availability of efficient tools. In this thesis, three novel ion beam tools have been developed and investigated as the alternatives for the conventional FIB systems in some particular applications. An integrated focused ion beam (FIB) and scanning electron microscope (SEM) system has been developed for direct doping or surface modification. This new instrument employs a mini-RF driven plasma source to generate focused ion beam with various ion species, a FEI two-lens electron (2LE) column for SEM imaging, and a five-axis manipulator system for sample positioning. An all-electrostatic two-lens column has been designed to focus the ion beam extracted from the source. Based on the Munro ion optics simulation, beam spot sizes as small as 100 nm can be achieved at beam energies between 5 to 35 keV if a 5 μm-diameter extraction aperture is used. Smaller beam spot sizes can be obtained with smaller apertures at sacrifice of some beam current. The FEI 2LE column, which utilizes Schottky emission, electrostatic focusing optics, and stacked-disk column construction, can provide high-resolution (as small as 20 nm) imaging capability, with fairly long working distance (25

  1. Confined ion beam sputtering device and method

    Science.gov (United States)

    Sharp, D.J.

    1986-03-25

    A hollow cylindrical target, lined internally with a sputter deposit material and open at both ends, surrounds a substrate on which sputtered deposition is to be obtained. An ion beam received through either one or both ends of the open cylindrical target is forced by a negative bias applied to the target to diverge so that ions impinge at acute angles at different points of the cylindrical target surface. The ion impingement results in a radially inward and downstream directed flux of sputter deposit particles that are received by the substrate. A positive bias applied to the substrate enhances divergence of the approaching ion beams to generate a higher sputtered deposition flux rate. Alternatively, a negative bias applied to the substrate induces the core portion of the ion beams to reach the substrate and provide ion polishing of the sputtered deposit thereon.

  2. A negative ion source for alkali ions

    NARCIS (Netherlands)

    Vermeer, A.; Zwol, N.A. van

    1980-01-01

    An ion source is described which delivers negative alkali ions. With this source, which consists of a duoplasmatron and a charge exchange canal with alkali vapour, negative Li, Na and K ions are produced. The oven in which alkali metals are evaporated can reach temperatures up to 575°C.

  3. A negative ion source for alkali ions

    NARCIS (Netherlands)

    Vermeer, A.; Zwol, N.A. van

    1980-01-01

    An ion source is described which delivers negative alkali ions. With this source, which consists of a duoplasmatron and a charge exchange canal with alkali vapour, negative Li, Na and K ions are produced. The oven in which alkali metals are evaporated can reach temperatures up to 575°C.

  4. Glancing-angle scattering of fast ions at crystal surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Mannami, Michihiko; Narumi, Kazumasa; Katoh, Humiya; Kimura, Kenji [Kyoto Univ. (Japan). Faculty of Engineering

    1997-03-01

    Glancing angle scattering of fast ions from a single crystal surface is a novel technique to study ion-surface interaction. Results of recent studies of ion-surface interaction are reviewed for ions with velocities faster than the Fermi velocity of solid. For the ions with velocities less than the Fermi velocity of target valence electrons the ion-surface interaction shows a new aspect where only the valence electrons of target solid participate in the stopping processes. It will show that the position-dependent stopping power of a surface for these ions governed by the elastic collisions of valence electrons and the ions. A method is proposed from this position-dependent stopping power to derived the electron density distribution averaged over the plane parallel to the surface. (author)

  5. Secondary Ion Mass Spectrometry Analysis of Renal Cell Carcinoma with Electrospray Droplet Ion Beams

    Science.gov (United States)

    Ninomiya, Satoshi; Yoshimura, Kentaro; Chen, Lee Chuin; Takeda, Sen; Hiraoka, Kenzo

    2017-01-01

    Tissue samples from renal cell carcinoma patients were analyzed by electrospray droplet ion beam-induced secondary ion mass spectrometry (EDI/SIMS). Positively- and negatively-charged secondary ions were measured for the cancerous and noncancerous regions of the tissue samples. Although specific cancerous species could not be found in both the positive and negative secondary ion spectra, the spectra of the cancerous and noncancerous tissues presented different trends. For instance, in the m/z range of 500–800 of the positive secondary ion spectra for the cancerous tissues, the intensities for several m/z values were lower than those of the m/z+2 peaks (indicating one double bond loss for the species), whereas, for the noncancerous tissues, the inverse trend was obtained. The tandem mass spectrometry (MS/MS) was also performed on the tissue samples using probe electrospray ionization (PESI), and some molecular ions produced by PESI were found to be fragmented into the ions observed in EDI/SIMS analysis. When the positive secondary ion spectra produced by EDI/SIMS were analyzed by principal component analysis, the results for cancerous and noncancerous tissues were separated. The EDI/SIMS method can be applied to distinguish between a cancerous and a noncancerous area with high probability. PMID:28149705

  6. Life cycle assessment of sodium-ion batteries

    OpenAIRE

    2016-01-01

    Sodium-ion batteries are emerging as potential alternatives to lithium-ion batteries. This study presents a prospective life cycle assessment for the production of a sodium-ion battery with a layered transition metal oxide as a positive electrode material and hard carbon as a negative electrode material on the battery component level. The complete and transparent inventory data are disclosed, which can easily be used as a basis for future environmental assessments. Na-ion batteries are found ...

  7. Benign positional vertigo

    Science.gov (United States)

    Vertigo - positional; Benign paroxysmal positional vertigo; BPPV: dizziness- positional ... Benign positional vertigo is also called benign paroxysmal positional vertigo (BPPV). It is caused by a problem in the inner ear. ...

  8. Gas phase ion chemistry

    CERN Document Server

    Bowers, Michael T

    1979-01-01

    Gas Phase Ion Chemistry, Volume 1 covers papers on the advances of gas phase ion chemistry. The book discusses the advances in flow tubes and the measurement of ion-molecule rate coefficients and product distributions; the ion chemistry of the earth's atmosphere; and the classical ion-molecule collision theory. The text also describes statistical methods in reaction dynamics; the state selection by photoion-photoelectron coincidence; and the effects of temperature and pressure in the kinetics of ion-molecule reactions. The energy distribution in the unimolecular decomposition of ions, as well

  9. Microfabricated ion frequency standard

    Science.gov (United States)

    Schwindt, Peter; Biedermann, Grant; Blain, Matthew G.; Stick, Daniel L.; Serkland, Darwin K.; Olsson, III, Roy H.

    2010-12-28

    A microfabricated ion frequency standard (i.e. an ion clock) is disclosed with a permanently-sealed vacuum package containing a source of ytterbium (Yb) ions and an octupole ion trap. The source of Yb ions is a micro-hotplate which generates Yb atoms which are then ionized by a ultraviolet light-emitting diode or a field-emission electron source. The octupole ion trap, which confines the Yb ions, is formed from suspended electrodes on a number of stacked-up substrates. A microwave source excites a ground-state transition frequency of the Yb ions, with a frequency-doubled vertical-external-cavity laser (VECSEL) then exciting the Yb ions up to an excited state to produce fluorescent light which is used to tune the microwave source to the ground-state transition frequency, with the microwave source providing a precise frequency output for the ion clock.

  10. Experimental cross sections for two-electron capture into nitrogen autoionising states in Nsup(q+) (q=6,7) on He and H/sub 2/ collisions at 10. 5q keV

    Energy Technology Data Exchange (ETDEWEB)

    Bordenave-Montesquieu, A.; Benoit-Cattin, P.; Gleizes, A.; Marrakchi, A.I.; Dousson, S.; Hitz, D.

    1985-07-01

    Singly differential cross sections for two-electron capture into autoionising states (nl,n'l') with n=2,3,4 and n'>=n in Nsup(q+) (q=6,7) on He and H/sub 2/ collisions have been measured at 10,5q ke V collision energy and an observation angle thetasub(lab)=11.6/sup 0/. Total cross sections are estimated assuming isotropic angular distributions. (orig.).

  11. Capacity-controllable nanocarriers for metal ions

    NARCIS (Netherlands)

    Yan, Y.; Keizer, de A.; Cohen Stuart, M.A.; Besseling, N.A.M.

    2009-01-01

    We report on capacity-controllable nanocarrier system for metal ions based on a novel kind of polymeric microemulsion. These microemulsions are formed in mixed systems of negatively charged metal-bisligand coordination polymers (cp), positively charged homopolyelectrolyte (hp), and positive-neutral

  12. Multicusp ion sources (invited)

    Energy Technology Data Exchange (ETDEWEB)

    Leung, K.N. (Lawrence Berkeley Laboratory, University of California, Berkeley, California 94720 (United States))

    1994-04-01

    During the last decade, different types of multicusp ion sources, such as high current, high concentration H[sup +], H[sup +][sub 2], or N[sup +] ion sources, negative ion sources, radio-frequency-driven sources, and high charge state ion sources have been developed at the Lawrence Berkeley Laboratory. This article reviews the history of the research and development of these ion sources and their applications.

  13. Ion-proton pulsars

    Science.gov (United States)

    Jones, P. B.

    2016-07-01

    Evidence derived with minimal assumptions from existing published observations is presented to show that an ion-proton plasma is the source of radio-frequency emission in millisecond and in normal isolated pulsars. There is no primary involvement of electron-positron pairs. This conclusion has also been reached by studies of the plasma composition based on well-established particle-physics processes in neutron stars with positive polar-cap corotational charge density. This work has been published in a series of papers which are also summarized here. It is now confirmed by simple analyses of the observed radio-frequency characteristics, and its implications for the further study of neutron stars are outlined.

  14. Ion-proton pulsars

    CERN Document Server

    Jones, P B

    2016-01-01

    Evidence derived with minimal assumptions from existing published observations is presented to show that an ion-proton plasma is the source of radio-frequency emission in millisecond and in normal isolated pulsars. There is no primary involvement of electron-positron pairs. This conclusion has also been reached by studies of the plasma composition based on well-established particle-physics processes in neutron stars with positive polar-cap corotational charge density. This work has been published in a series of papers which are also summarized here. It is now confirmed by simple analyses of the observed radio-frequency characteristics, and its implications for the further study of neutron stars are outlined.

  15. Positive maps, positive polynomials and entanglement witnesses

    CERN Document Server

    Skowronek, Lukasz

    2009-01-01

    We link the study of positive quantum maps, block positive operators, and entanglement witnesses with problems related to multivariate polynomials. For instance, we show how indecomposable block positive operators relate to biquadratic forms that are not sums of squares. Although the general problem of describing the set of positive maps remains open, in some particular cases we solve the corresponding polynomial inequalities and obtain explicit conditions for positivity.

  16. Positive maps, positive polynomials and entanglement witnesses

    Energy Technology Data Exchange (ETDEWEB)

    Skowronek, Lukasz; Zyczkowski, Karol [Institute of Physics, Jagiellonian University, Krakow (Poland)], E-mail: lukasz.skowronek@uj.edu.pl, E-mail: karol@tatry.if.uj.edu.pl

    2009-08-14

    We link the study of positive quantum maps, block positive operators and entanglement witnesses with problems related to multivariate polynomials. For instance, we show how indecomposable block positive operators relate to biquadratic forms that are not sums of squares. Although the general problem of describing the set of positive maps remains open, in some particular cases we solve the corresponding polynomial inequalities and obtain explicit conditions for positivity.

  17. Nonplanar ion-acoustic shocks in electron–positron–ion plasmas: Effect of superthermal electrons

    Indian Academy of Sciences (India)

    Deb Kumar Ghosh; Prasantha Chatterjee; Pankaj Kumar Mandal; Biswajit Sahu

    2013-09-01

    Ion-acoustic shock waves (IASWs) in a homogeneous unmagnetized plasma, comprising superthermal electrons, positrons, and singly charged adiabatically hot positive ions are investigated via two-dimensional nonplanar Kadomstev–Petviashvili–Burgers (KPB) equation. It is found that the profiles of the nonlinear shock structures depend on the superthermality of electrons. The influence of other plasma parameters such as, ion kinematic viscosity and ion temperature, is discussed in the presence of superthermal electrons in nonplanar geometry. It is also seen that the IASWs propagating in cylindrical/spherical geometry with transverse perturbation will be deformed as time goes on.

  18. Production of a highly charged uranium ion beam with RIKEN superconducting electron cyclotron resonance ion source

    Energy Technology Data Exchange (ETDEWEB)

    Higurashi, Y.; Ohnishi, J.; Nakagawa, T.; Haba, H.; Fujimaki, M.; Komiyama, M.; Kamigaito, O. [RIKEN Nishina Center, 2-1 Hirosawa, Wako-shi, Saitama 351-0198 (Japan); Tamura, M.; Aihara, T.; Uchiyama, A. [SHI Accelerator Service Ltd., 1-17-6 Osaki, Shinagawa, Tokyo 141-0032 (Japan)

    2012-02-15

    A highly charged uranium (U) ion beam is produced from the RIKEN superconducting electron cyclotron resonance ion source using 18 and 28 GHz microwaves. The sputtering method is used to produce this U ion beam. The beam intensity is strongly dependent on the rod position and sputtering voltage. We observe that the emittance of U{sup 35+} for 28 GHz microwaves is almost the same as that for 18 GHz microwaves. It seems that the beam intensity of U ions produced using 28 GHz microwaves is higher than that produced using 18 GHz microwaves at the same Radio Frequency (RF) power.

  19. Ion Sources for MedAustron

    CERN Document Server

    Lettry, J; Wallner, J; Sargsyan, E; CERN. Geneva. BE Department

    2010-01-01

    The MedAustron Ion therapy center will be constructed in Wiener Neustadt (Austria) in the vicinity of Vienna. Its accelerator complex consists of four ion sources, a linear accelerator, a synchrotron and a beam delivery system to the three medical treatment rooms and to the research irradiation room. The ion sources shall deliver beams of H31+, C4+ and light ions with utmost reliability and stability. This paper describes the features of the ion sources presently planned for the MedAustron facility; such as ion source main parameters, gas injection, temperature control and cooling systems. A dedicated beam diagnostics technique is proposed in order to characterize ECR ions beams; in the first drift region after the ion source, a fraction of the mixed beam is selected via moveable aperture. With standard beam diagnostics, we then aim to produce position-dependant observables such as ion-current density, beam energy distribution and emittance for each charge states to be compared to simulations of ECR e-heating...

  20. Ion sources for ion implantation technology (invited)

    Energy Technology Data Exchange (ETDEWEB)

    Sakai, Shigeki, E-mail: sakai-shigeki@nissin.co.jp; Hamamoto, Nariaki; Inouchi, Yutaka; Umisedo, Sei; Miyamoto, Naoki [Nissin Ion Equipment co., ltd, 575 Kuze-Tonoshiro-cho Minami-ku, Kyoto 601-8205 (Japan)

    2014-02-15

    Ion sources for ion implantation are introduced. The technique is applied not only to large scale integration (LSI) devices but also to flat panel display. For LSI fabrication, ion source scheduled maintenance cycle is most important. For CMOS image sensor devices, metal contamination at implanted wafer is most important. On the other hand, to fabricate miniaturized devices, cluster ion implantation has been proposed to make shallow PN junction. While for power devices such as silicon carbide, aluminum ion is required. For doping processes of LCD fabrication, a large ion source is required. The extraction area is about 150 cm × 10 cm, and the beam uniformity is important as well as the total target beam current.

  1. Metal-free reduction of the greenhouse gas sulfur hexafluoride, formation of SF5 containing ion pairs and the application in fluorinations

    KAUST Repository

    Rueping, Magnus

    2017-05-04

    A protocol for the fast and selective two-electron reduction of the potent greenhouse gas sulfur hexafluoride (SF6) by organic electron donors at ambient temperature has been developed. The reaction yields solid ion pairs consisting of donor dications and SF5-anions which can be effectively used in fluorination reactions.

  2. Electron Beam Ion Sources

    CERN Document Server

    Zschornacka, G.; Thorn, A.

    2013-12-16

    Electron beam ion sources (EBISs) are ion sources that work based on the principle of electron impact ionization, allowing the production of very highly charged ions. The ions produced can be extracted as a DC ion beam as well as ion pulses of different time structures. In comparison to most of the other known ion sources, EBISs feature ion beams with very good beam emittances and a low energy spread. Furthermore, EBISs are excellent sources of photons (X-rays, ultraviolet, extreme ultraviolet, visible light) from highly charged ions. This chapter gives an overview of EBIS physics, the principle of operation, and the known technical solutions. Using examples, the performance of EBISs as well as their applications in various fields of basic research, technology and medicine are discussed.

  3. Navicular bone position determined by positional MRI

    DEFF Research Database (Denmark)

    Hansen, Philip; Johannsen, Finn E; Hangaard, Stine

    2016-01-01

    OBJECTIVE: To examine intraobserver, interobserver and between-day reproducibility of positional MRI for evaluation of navicular bone height (NVH) and medial navicular position (MNP). MATERIALS AND METHODS: Positional MRI (pMRI) of the foot was performed on ten healthy participants (0.25 T G......: Navicular height and medial navicular position can be measured by pMRI in a very reproducible manner within and between observers. Increased measurement variation is observed between-days in supine position, which may be due to small positional differences or other unknown biomechanical factors....

  4. Plasma-Based Ion Beam Sources

    Energy Technology Data Exchange (ETDEWEB)

    Loeb, H. W.

    2005-07-01

    Ion beam sources cover a broad spectrum of scientific and technical applications delivering ion currents between less than 1 mA and about 100 A at acceleration voltages between 100 V and 100 kV. The ions are mostly generated by electron collisions in a gas discharge and then extracted from the discharge plasma, focused and post-accelerated by single- or multi-aperture electrode systems. Some important applications require the neutralization of the exhausted beam either by charge exchange or by admixture of electrons. In the first part of the paper, the theory of ionization by electron impact, the energy and carrier balances in the plasma, and the extraction and focusing mechanisms will be outlined. The principles of the preferred gas discharges and of the ion beam sources based on them are discussed; i.e. of the Penning, bombardment, arc, duoplasmatron, radio frequency, and microwave types. In the second part of the paper, the special requirements of the different applications are described together with the related source hardware. One distinguishes: 1. Single-aperture ion sources producing protons, heavy ions, isotope ions, etc. for particle accelerators, ion microprobes, mass spectrometers, isotope separators, etc.; quality determinative quantities are brightness, emittance, energy width, etc. 2. Broad-beam multi-aperture injector sources for fusion machines with positive or negative deuterium ions; very high beam densities, small portions of molecular ions, flat beam profiles with small divergence angles, etc. are required. 3. Broad-beam multi-aperture ion thrusters for space propulsion operated with singly charged xenon ions; high efficiencies, reliable operation, and long lifetimes are most important. Spin-offs are applied in industry for material processing. Referring to these applications, the following sources will be described in some detail: 1. Cold cathode and filament driven sources, capillary arc and plasmatron types, microwave and ECR-sources. 2

  5. Radio frequency multicusp ion source development (invited)

    Energy Technology Data Exchange (ETDEWEB)

    Leung, K.N. [Lawrence Berkeley National Laboratory, University of California, Berkeley, California 94720 (United States)

    1996-03-01

    The radio-frequency (rf) driven multicusp source was originally developed for use in the Superconducting Super Collider injector. It has been demonstrated that the source can meet the H{sup {minus}} beam current and emittance requirements for this application. By employing a porcelain-coated antenna, a clean plasma discharge with very long-life operation can be achieved. Today, the rf source is used to generate both positive and negative hydrogen ion beams and has been tested in various particle accelerator laboratories throughout the world. Applications of this ion source have been extended to other fields such as ion beam lithography, oil-well logging, ion implantation, accelerator mass spectrometry and medical therapy machines. This paper summarizes the latest rf ion source technology and development at the Lawrence Berkeley National Laboratory. {copyright} {ital 1996 American Institute of Physics.}

  6. Radio frequency multicusp ion source development (invited)

    Science.gov (United States)

    Leung, K. N.

    1996-03-01

    The radio-frequency (rf) driven multicusp source was originally developed for use in the Superconducting Super Collider injector. It has been demonstrated that the source can meet the H- beam current and emittance requirements for this application. By employing a porcelain-coated antenna, a clean plasma discharge with very long-life operation can be achieved. Today, the rf source is used to generate both positive and negative hydrogen ion beams and has been tested in various particle accelerator laboratories throughout the world. Applications of this ion source have been extended to other fields such as ion beam lithography, oil-well logging, ion implantation, accelerator mass spectrometry and medical therapy machines. This paper summarizes the latest rf ion source technology and development at the Lawrence Berkeley National Laboratory.

  7. Multiply Charged Negative Ions of Hydrogen Induced by Superintense Laser Fields

    Energy Technology Data Exchange (ETDEWEB)

    van Duijn, E.; Gavrila, M.; Muller, H.G. [FOM--Institute for Atomic and Molecular Physics, Kruislaan 407, 1098 SJ Amsterdam (The Netherlands)

    1996-10-01

    Using the high-frequency Floquet theory of laser-atom interactions we predict that in superintense fields a proton can bind more than two electrons. For linear polarization, a self-consistent solution of the structure equation shows that H{sup 2{minus}} becomes bound for {alpha}{sub 0}=155 a.u. The fields and frequencies needed for binding H{sup 2{minus}} are within reach of lasers under construction. By choosing appropriately polarized bichromatic radiation, the production of more highly charged negative ions also lies within experimental reach. The ions are (adiabatically) stabilized against ionization, from their very appearance. {copyright} {ital 1996 The American Physical Society.}

  8. On the microscopic mechanism of ion-extraction of a gridded ion propulsion thruster

    CERN Document Server

    Kirmse, Danny

    2013-01-01

    The following paper includes a physical microscopic particle-description of the phenomena and mechanisms that lead to the extraction of ions with the aim to generate thrust. This theoretical treatise arose from the intention to visualize the behavior of the involved particles under effect of the involved electrical fields. By this way, an underlying basis for experimental investigations of the work of an ion thruster should be formed. So a foundation was created, which explains the ion extracting and so thrust generating function of an ion thruster. The theoretical work was related to the Radio-frequency Ion Thruster (RIT). But the model worked out can be generalized for all thruster types that use electrostatic fields to extract positively charged ions.

  9. Ion beam extraction from a matrix ECR plasma source by discrete ion-focusing effect

    DEFF Research Database (Denmark)

    Stamate, Eugen; Draghici, Mihai

    2010-01-01

    Positive or negative ion beams extracted from plasma are used in a large variety of surface functionalization techniques such as implantation, etching, surface activation, passivation or oxidation. Of particular importance is the surface treatment of materials sensitive to direct plasma exposure...... due to high heath fluxes, the controllability of the ion incidence angle, and charge accumulation when treating insulating materials. Despite of a large variety of plasma sources available for ion beam extraction, there is a clear need for new extraction mechanisms that can make available ion beams...... with high current densities that can treat surfaces placed adjacent to the extraction region. This work introduces a new phenomenology for ion beam extraction using the discrete ion-focusing effect associated with three-dimensional plasma-sheath-lenses [1, 2]. Experiments are performed in a matrix...

  10. Negative ion production in energetic O- and C- ions scattering on HOPG

    Science.gov (United States)

    Chen, Lin; Liu, Pinyang; Xiao, Yunqing; Gao, Lei; Liu, Yuefeng; Qiu, Shunli; Xiong, Feifei; Lu, Jianjie; Guo, Yanling; Chen, Ximeng

    2017-09-01

    In this work, we present negative-ion fractions as a function of exit velocity and angle after keV-energy negative oxygen and carbon ions scattering on a highly oriented pyrolytic graphite (HOPG) surface, at a scattering angle of 38°. The negative-ion fractions increase monotonously with the increase of exit velocity for specular scattering, while negative-ion fractions present a bell-shaped dependence on exit angle. In order to gain further insight into the nature of charge transfer on HOPG, a modified charge transfer model involving the contribution of positive ions has been proposed and roughly reproduced the velocity and angle dependences of negative-ion fractions.

  11. Tuning Charge Transfer in Ion-Surface Collisions at Hyperthermal Energies.

    Science.gov (United States)

    Yao, Yunxi; Giapis, Konstantinos P

    2016-05-18

    Charge exchange in ion-surface collisions may be influenced by surface adsorbates to alter the charge state of the scattered projectiles. We show here that the positive-ion yield, observed during ion scattering on metal surfaces at low incident energies, is greatly enhanced by adsorbing electronegative species onto the surface. Specifically, when beams of N(+) and O(+) ions are scattered off of clean Au surfaces at hyperthermal energies, no positive ions are observed exiting. Partial adsorption of F atoms on the Au surface, however, leads to the appearance of positively charged primary ions scattering off of Au, a direct result of the increase in the Au work function. The inelastic energy losses for positive-ion exits are slightly larger than the corresponding ionization energies of the respective N and O atoms, which suggest that the detected positive ions are formed by surface reionization during the hard collision event.

  12. Ions and light

    CERN Document Server

    Bowers, Michael T

    2013-01-01

    Gas Phase Ion Chemistry, Volume 3: Ions and Light discusses how ions are formed by electron impact, ion-molecule reactions, or electrical discharge. This book discusses the use of light emitted by excited molecules to characterize either the chemistry that formed the excited ion, the structure of the excited ion, or both.Organized into 10 chapters, this volume begins with an overview of the extension of the classical flowing afterglow technique to include infrared and chemiluminescence and laser-induced fluorescence detection. This text then examines the experiments involving molecules that ar

  13. Lifetime measurements of nuclei in few-electron ions

    CERN Document Server

    Faestermann, Thomas

    2015-01-01

    In this review lifetime measurements of ions with at most two electrons are summarized. Such highly ionized systems have been studied - until now - only in the Experimental Storage Ring of the GSI in Darmstadt. Emphasis is put on decays via the weak interaction. The first observations of beta-decay into bound atomic states are described as well as its time mirrored counterpart, the electron-capture decay. In the latter case the decays of hydrogen- and helium-like ions are compared with a surprising result. Further on, the observation of sinusoidal modulations of the decay rate in two-body decays is summarized. As a possible cause an interference due to the emission of neutrinos with different rest mass is discussed.

  14. Miniature Bipolar Electrostatic Ion Thruster

    Science.gov (United States)

    Hartley, Frank T.

    2006-01-01

    The figure presents a concept of a bipolar miniature electrostatic ion thruster for maneuvering a small spacecraft. The ionization device in the proposed thruster would be a 0.1-micron-thick dielectric membrane with metal electrodes on both sides. Small conical holes would be micromachined through the membrane and electrodes. An electric potential of the order of a volt applied between the membrane electrodes would give rise to an electric field of the order of several mega-volts per meter in the submicron gap between the electrodes. An electric field of this magnitude would be sufficient to ionize all the molecules that enter the holes. In a thruster-based on this concept, one or more propellant gases would be introduced into such a membrane ionizer. Unlike in larger prior ion thrusters, all of the propellant molecules would be ionized. This thruster would be capable of bipolar operation. There would be two accelerator grids - one located forward and one located aft of the membrane ionizer. In one mode of operation, which one could denote the forward mode, positive ions leaving the ionizer on the backside would be accelerated to high momentum by an electric field between the ionizer and an accelerator grid. Electrons leaving the ionizer on the front side would be ejected into free space by a smaller accelerating field. The equality of the ion and electron currents would eliminate the need for an additional electron- or ion-emitting device to keep the spacecraft charge-neutral. In another mode of operation, which could denote the reverse mode, the polarities of the voltages applied to the accelerator grids and to the electrodes of the membrane ionizer would be the reverse of those of the forward mode. The reversal of electric fields would cause the ion and electrons to be ejected in the reverse of their forward mode directions, thereby giving rise to thrust in the direction opposite that of the forward mode.

  15. Production of N[sup +] ions from a multicusp ion beam apparatus

    Energy Technology Data Exchange (ETDEWEB)

    Kango Leung; Kunkel, W.B.; Walther, S.R.

    1993-03-30

    A method of generating a high purity (at least 98%) N[sup +] ion beam using a multicusp ion source having a chamber formed by a cylindrical chamber wall surrounded by a plurality of magnets, a filament centrally disposed in said chamber, a plasma electrode having an extraction orifice at one end of the chamber, a magnetic filter having two parallel magnets spaced from said plasma electrode and dividing the chamber into arc discharge and extraction regions. The method includes ionizing nitrogen gas in the arc discharge region of the chamber, maintaining the chamber wall at a positive voltage relative to the filament and at a magnitude for an optimum percentage of N[sup +] ions in the extracted ion beams, disposing a hot liner within the chamber and near the chamber wall to limit recombination of N[sup +] ions into the N[sub 2][sup +] ions, spacing the magnets of the magnetic filter from each other for optimum percentage of N[sup 3] ions in the extracted ion beams, and maintaining a relatively low pressure downstream of the extraction orifice and of a magnitude (preferably within the range of 3-8[times]10[sup [minus]4] torr) for an optimum percentage of N[sup +] ions in the extracted ion beam.

  16. Production of N.sup.+ ions from a multicusp ion beam apparatus

    Energy Technology Data Exchange (ETDEWEB)

    Leung, Ka-Ngo (Hercules, CA); Kunkel, Wulf B. (Berkeley, CA); Walther, Steven R. (Salem, MA)

    1993-01-01

    A method of generating a high purity (at least 98%) N.sup.+ ion beam using a multicusp ion source (10) having a chamber (11) formed by a cylindrical chamber wall (12) surrounded by a plurality of magnets (13), a filament (57) centrally disposed in said chamber, a plasma electrode (36) having an extraction orifice (41) at one end of the chamber, a magnetic filter having two parallel magnets (21, 22) spaced from said plasma electrode (36) and dividing the chamber (11) into arc discharge and extraction regions. The method includes ionizing nitrogen gas in the arc discharge region of the chamber (11), maintaining the chamber wall (12) at a positive voltage relative to the filament (57) and at a magnitude for an optimum percentage of N.sup.+ ions in the extracted ion beams, disposing a hot liner (45) within the chamber and near the chamber wall (12) to limit recombination of N.sup.+ ions into the N.sub.2.sup.+ ions, spacing the magnets (21, 22) of the magnetic filter from each other for optimum percentage of N.sup.3 ions in the extracted ion beams, and maintaining a relatively low pressure downstream of the extraction orifice and of a magnitude (preferably within the range of 3-8.times.10.sup.-4 torr) for an optimum percentage of N.sup.+ ions in the extracted ion beam.

  17. Improved production of N{sup +} ions from a multicusp ion beam apparatus

    Energy Technology Data Exchange (ETDEWEB)

    Leung, Ka-Ngo; Kunkel, W.B.; Walther, S.R.

    1991-12-31

    This invention is comprised of a method of generating a high purity (at least 98%) N{sup +} ion beam using a multicusp ion source having a chamber formed by a cylindrical chamber wall surrounded by a plurality of magnets, a filament centrally disposed in said chamber, a plasma electrode having an extraction orifice at one end of the chamber, a magnetic filter having two parallel magnets spaced from said plasma electrode and dividing the chamber into arc discharge and extraction regions. The method includes ionizing nitrogen gas in the arc discharge region of the chamber, maintaining the chamber wall at a positive voltage relative to the filament and at a magnitude for an optimum percentage of N{sup +} ions in the extracted ion beam, disposing a hot liner within the chamber and near the chamber wall to limit recombination of N{sup +} ions into the N{sub 2}{sup +} ions, spacing the magnets of the magnetic filter from each other for optimum percentage of N{sup +} ions in the extracted ion beams, and maintaining a relatively low pressure downstream of the extraction orifice and of a magnitude (preferably within the range of 3--8 {times} 10{sup {minus}4} torr) for an optimum percentage of N{sup +} ions in the extracted ion beam.

  18. Stability of electrostatic ion cyclotron waves in a multi-ion plasma

    Indian Academy of Sciences (India)

    M J Kurian; S Jyothi; S K Leju; Molly Isaac; Chandu Venugopal; G Renuka

    2009-12-01

    We have studied the stability of the electrostatic ion cyclotron wave in a plasma consisting of isotropic hydrogen ions (+) and temperature-anisotropic positively (+) and negatively (−) charged oxygen ions, with the electrons drifting parallel to the magnetic field. Analytical expressions have been derived for the frequency and growth/damping rate of ion cyclotron waves around the first harmonic of both hydrogen and oxygen ion gyrofrequencies. We find that the frequencies and growth/damping rates are dependent on the densities and temperatures of all species of ions. A detailed numerical study, for parameters relevant to comet Halley, shows that the growth rate is dependent on the magnitude of the frequency. The ion cyclotron waves are driven by the electron drift parallel to the magnetic field; the temperature anisotropy of the oxygen ions only slightly enhance the growth rates for small values of temperature anisotropies. A simple explanation, in terms of wave exponentiation times, is offered for the absence of electrostatic ion cyclotron waves in the multi-ion plasma of comet Halley.

  19. ECR ion source based low energy ion beam facility

    Indian Academy of Sciences (India)

    P Kumar; G Rodrigues; U K Rao; C P Safvan; D Kanjilal; A Roy

    2002-11-01

    Mass analyzed highly charged ion beams of energy ranging from a few keV to a few MeV plays an important role in various aspects of research in modern physics. In this paper a unique low energy ion beam facility (LEIBF) set up at Nuclear Science Centre (NSC) for providing low and medium energy multiply charged ion beams ranging from a few keV to a few MeV for research in materials sciences, atomic and molecular physics is described. One of the important features of this facility is the availability of relatively large currents of multiply charged positive ions from an electron cyclotron resonance (ECR) source placed entirely on a high voltage platform. All the electronic and vacuum systems related to the ECR source including 10 GHz ultra high frequency (UHF) transmitter, high voltage power supplies for extractor and Einzel lens are placed on a high voltage platform. All the equipments are controlled using a personal computer at ground potential through optical fibers for high voltage isolation. Some of the experimental facilities available are also described.

  20. Ion trapping in the high-energy storage ring HESR

    Energy Technology Data Exchange (ETDEWEB)

    Hinterberger, Frank [Bonn Univ. (Germany). Helmholtz-Institut fuer Strahlen- und Kernphysik

    2011-10-15

    The problem of ion trapping in the high-energy storage ring HESR is studied in the present report. Positive ions are trapped in the negative potential well of the antiproton beam. The ions are produced by the interaction between the antiproton beam and the residual gas. The adverse effects of ion trapping like tune shifts, tune spreads and coherent instabilities are reviewed. The ion production rate by ionization of the residual gas molecules is estimated. The negative potential well and the corresponding electric fields of the antiproton beam are evaluated in order to study the transverse and longitudinal motion of the ions and the accumulation in trapping pockets. The removal of ions can be achieved using clearing electrodes and under certain conditions resonant transverse beam shaking. Diagnostic tools and measurements of trapped ion effects are sketched. (orig.)

  1. Negative ion studies on the RF plasma device MAGPIE

    Science.gov (United States)

    Willett, Hannah; Santoso, Jesse; Corr, Cormac; Gibson, Kieran

    2016-10-01

    Neutral beam injection (NBI) systems provide both heating and current drive in tokamak fusion reactors. High energy (> 1 MeV) neutral beams are produced by neutralising accelerated ions, for which negative ions are used; the neutralisation cross section for positive ions becomes negligible at these energies. This requires very high throughput negative ion sources. Currently this is achieved using inductively coupled plasma sources, which incorporate caesium to improve the production rate. It has been proposed that helicon plasma sources could provide a more efficient, higher throughput method of producing negative ions for NBI, possibly even removing the need for caesium. We report on studies of the negative hydrogen ion population in the MAGPIE helicon device (Australian National University) under a variety of operating conditions. The probe-based laser photodetachment method and Langmuir probes are employed to estimate the negative hydrogen ion density throughout the device. Initial results support the viability of helicon-based negative ion sources.

  2. Ion sources for high-power hadron accelerators

    CERN Document Server

    Faircloth, Dan

    2013-01-01

    Ion sources are a critical component of all particle accelerators. They create the initial beam that is accelerated by the rest of the machine. This paper will introduce the many methods of creating a beam for high-power hadron accelerators. A brief introduction to some of the relevant concepts of plasma physics and beam formation is given. The different types of ion source used in accelerators today are examined. Positive ion sources for producing H+ ions and multiply charged heavy ions are covered. The physical principles involved with negative ion production are outlined and different types of negative ion sources are described. Cutting edge ion source technology and the techniques used to develop sources for the next generation of accelerators are discussed.

  3. Li distribution characterization in Li-ion batteries positive electrodes containing Li{sub x}Ni{sub 0.8}Co{sub 0.15}Al{sub 0.05}O{sub 2} secondary particles (0.75 Less-Than-Or-Slanted-Equal-To x Less-Than-Or-Slanted-Equal-To 1.0)

    Energy Technology Data Exchange (ETDEWEB)

    Mima, K., E-mail: k.mima@gpi.ac.jp [Graduate School for the Creation of New Photonics Industries, 1955-1, Kurematsu, Nishiku, Hamamatsu, Shizuoka 431-1202 (Japan); Instituto de Fusion Nuclear, Universidad Politecnica de Madrid, Madrid (Spain); Institute of Laser Engineering, Osaka University, Osaka (Japan); Gonzalez-Arrabal, R. [Instituto de Fusion Nuclear, Universidad Politecnica de Madrid, Madrid (Spain); Azuma, H. [Toyota Central R and D Labs., Inc., Aichi (Japan); Yamazaki, A. [Takasaki Advanced Radiation Research Institute, Japan Atomic Energy Agency (JAEA), Gunma (Japan); Okuda, C.; Ukyo, Y.; Sawada, H. [Toyota Central R and D Labs., Inc., Aichi (Japan); Fujita, K.; Kato, Y. [Graduate School for the Creation of New Photonics Industries, 1955-1, Kurematsu, Nishiku, Hamamatsu, Shizuoka 431-1202 (Japan); Perlado, J.M. [Instituto de Fusion Nuclear, Universidad Politecnica de Madrid, Madrid (Spain); Nakai, S. [Graduate School for the Creation of New Photonics Industries, 1955-1, Kurematsu, Nishiku, Hamamatsu, Shizuoka 431-1202 (Japan)

    2012-11-01

    The elemental distribution of as-received (non-charged) and charged Li-ion battery positive electrodes containing Li{sub x}Ni{sub 0.8}Co{sub 0.15}Al{sub 0.05}O{sub 2} (0.75 Less-Than-Or-Slanted-Equal-To x Less-Than-Or-Slanted-Equal-To 1.0) microparticles as active material is characterized by combining {mu}-PIXE and {mu}-PIGE techniques. PIGE measurements evidence that the Li distribution is inhomogeneous (existence of Li-rich and Li-depleted regions) in as-received electrodes corresponding with the distribution of secondary particles but it is homogeneous within the studied individual secondary micro-particles. The dependence of the Li distribution on electrode thickness and on charging conditions is characterized by measuring the Li distribution maps in specifically fabricated cross-sectional samples. These data show that decreasing the electrode thickness down to 35 {mu}m and charging the batteries at slow rate give rise to more homogeneous Li depth profiles.

  4. Production and ion-ion cooling of highly charged ions in electron string ion source.

    Science.gov (United States)

    Donets, D E; Donets, E D; Donets, E E; Salnikov, V V; Shutov, V B; Syresin, E M

    2009-06-01

    The scheme of an internal injection of Au atoms into the working space of the "Krion-2" electron string ion source (ESIS) was applied and tested. In this scheme Au atoms are evaporated from the thin tungsten wire surface in vicinity of the source electron string. Ion beams with charge states up to Au51+ were produced. Ion-ion cooling with use of C and O coolant ions was studied. It allowed increasing of the Au51+ ion yield by a factor of 2. Ions of Kr up to charge state 28+ were also produced in the source. Electron strings were first formed with injection electron energy up to 6 keV. Methods to increase the ESIS ion output are discussed.

  5. Miniaturized Linear Wire Ion Trap Mass Analyzer.

    Science.gov (United States)

    Wu, Qinghao; Li, Ailin; Tian, Yuan; Zare, Richard N; Austin, Daniel E

    2016-08-02

    We report a linear ion trap (LIT) in which the electric field is formed by fine wires held under tension and accurately positioned using holes drilled in two end plates made of plastic. The coordinates of the hole positions were optimized in simulation. The stability diagram and mass spectra using boundary ejection were compared between simulation and experiment and good agreement was found. The mass spectra from experiments show peak widths (fwhm) in units of mass-to-charge of around 0.38 Th using a scan rate of 3830 Th/s. The limits of detection are 137 ppbv and 401 ppbv for benzene and toluene, respectively. Different sizes of the wire ion trap can be easily fabricated by drilling holes in scaled positions. Other distinguishing features, such as high ion and photon transmission, low capacitance, high tolerance to mechanical and assembly error, and low weight, are discussed.

  6. Ion mobility spectrometry

    CERN Document Server

    Eiceman, GA

    2005-01-01

    Key Developments for Faster, More Precise Detection Capabilities Driven by the demand for the rapid and advanced detection of explosives, chemical and biological warfare agents, and narcotics, ion mobility spectrometry (IMS) undergone significant refinements in technology, computational capabilities, and understanding of the principles of gas phase ion chemistry and mobility. Beginning with a thorough discussion of the fundamental theories and physics of ion mobility, Ion Mobility Spectrometry, Second Edition describes the recent advances in instrumentation and newly

  7. Ion Density Distribution in an Inductively Coupled Plasma Chamber

    Institute of Scientific and Technical Information of China (English)

    陈俊芳; 赵文锋; 吴先球; 樊双莉; 符斯列

    2004-01-01

    The ion density distribution in the reaction chamber was diagnosed by a Langmuir probe. The rules of the ion density distribution were obtained under the pressures of 9 Pa, 13 Pa,27 Pa and 53 Pa in the reaction chamber, different radio-frequency powers and different positions.The result indicates that the ion density decreases as the pressure increases, and increases as the power decreases. The ion density of axial position z = 0 achieves 5.8×10 10 on the center of coil under the power of 200 w and pressure of 9 Pa in the reaction chamber.

  8. Ion trap simulation tools.

    Energy Technology Data Exchange (ETDEWEB)

    Hamlet, Benjamin Roger

    2009-02-01

    Ion traps present a potential architecture for future quantum computers. These computers are of interest due to their increased power over classical computers stemming from the superposition of states and the resulting capability to simultaneously perform many computations. This paper describes a software application used to prepare and visualize simulations of trapping and maneuvering ions in ion traps.

  9. Ion desorption from frozen H 2O irradiated by MeV heavy ions

    Science.gov (United States)

    Collado, V. M.; Farenzena, L. S.; Ponciano, C. R.; Silveira, E. F. da; Wien, K.

    2004-10-01

    Nitrogen (0.13-0.85 MeV) and 252Cf fission fragments (˜65 MeV) beams are employed to sputter positive and negative secondary ions from frozen water. Desorption yields are measured for different ice temperatures and projectile energies. Target surface is continuously refreshed by condensed water while the target temperature varies and ice thickness changes. In both projectile energy ranges, the preferentially ejected ions are H +, H2+ and (H 2O) nH +-cluster ions. The yields of the corresponding negative ions H - and (H 2O) nO - or (H 2O) nOH - are 1-2 orders of magnitude lower. The (H 2O) nH + desorption yields decrease exponentially as the cluster size, n, increases. In the low energy range, the desorption of positive ion clusters may occur in a two-step process: first, desorption of preformed H 2O clusters and, then, ionization by H + or H 3O + capture. For 0.81 MeV N + projectile ions, the cluster ion emission contributes with 0.05% to the total H 2O desorbed yield. There are indications that emission of the (H 2O) nH + disappears for an electronic energy loss lower than 20 eV/Å. For the high energy range, desorption of small ion clusters is particularly enhanced, revealing that a fragmentation process also exists.

  10. Positive clinical neuroscience: explorations in positive neurology.

    Science.gov (United States)

    Kapur, Narinder; Cole, Jonathan; Manly, Tom; Viskontas, Indre; Ninteman, Aafke; Hasher, Lynn; Pascual-Leone, Alvaro

    2013-08-01

    Disorders of the brain and its sensory organs have traditionally been associated with deficits in movement, perception, cognition, emotion, and behavior. It is increasingly evident, however, that positive phenomena may also occur in such conditions, with implications for the individual, science, medicine, and for society. This article provides a selective review of such positive phenomena--enhanced function after brain lesions, better-than-normal performance in people with sensory loss, creativity associated with neurological disease, and enhanced performance associated with aging. We propose that, akin to the well-established field of positive psychology and the emerging field of positive clinical psychology, the nascent fields of positive neurology and positive neuropsychology offer new avenues to understand brain-behavior relationships, with both theoretical and therapeutic implications.

  11. Positive Psychology: Positive Emotions and Emotional Intelegence

    OpenAIRE

    2008-01-01

    The paper focuses on the and emotional intelligence. We try to answer on some questions regarding the role which positive emotions have in our life’s. The broaden-and-build theory (Fredrickson, 1998; 2001) predicts that positive emotions are useful in several ways. They guide present behavior, by broadening one’s attention and cognition, setting the stage for creative, explorative, and innovative pursuits. As well, positive emotions build personal and social resources to help individuals achi...

  12. [Development of metal ions analysis by ion chromatography].

    Science.gov (United States)

    Yu, Hong; Wang, Yuxin

    2007-05-01

    Analysis of metal ions by ion chromatography, including cation-exchange ion chromatography, anion-exchange ion chromatography and chelation ion chromatography, is reviewed. The cation-exchange ion chromatography is a main method for the determination of metal ions. Stationary phases in cation-exchange ion chromatography are strong acid cation exchanger (sulfonic) and weak acid cation exchanger (carboxylic). Alkali metal ions, alkaline earth metal ions, transition metal ions, rare earth metal ions, ammonium ions and amines can be analyzed by cation-exchange ion chromatography with a suitable detector. The anion-exchange ion chromatography is suitable for the separation and analysis of alkaline earth metal ions, transition metal ions and rare earth metal ions. The selectivity for analysis of metal ions with anion-exchange ion chromatography is good. Simultaneous determination of metal ions and inorganic anions can be achieved using anion-exchange ion chromatography. Chelation ion chromatography is suitable for the determination of trace metal ions in complex matrices. A total of 125 references are cited.

  13. Ion channels in asthma.

    Science.gov (United States)

    Valverde, Miguel A; Cantero-Recasens, Gerard; Garcia-Elias, Anna; Jung, Carole; Carreras-Sureda, Amado; Vicente, Rubén

    2011-09-23

    Ion channels are specialized transmembrane proteins that permit the passive flow of ions following their electrochemical gradients. In the airways, ion channels participate in the production of epithelium-based hydroelectrolytic secretions and in the control of intracellular Ca(2+) levels that will ultimately activate almost all lung cells, either resident or circulating. Thus, ion channels have been the center of many studies aiming to understand asthma pathophysiological mechanisms or to identify therapeutic targets for better control of the disease. In this minireview, we focus on molecular, genetic, and animal model studies associating ion channels with asthma.

  14. Superconducting microfabricated ion traps

    CERN Document Server

    Wang, Shannon X; Labaziewicz, Jaroslaw; Dauler, Eric; Berggren, Karl; Chuang, Isaac L

    2010-01-01

    We fabricate superconducting ion traps with niobium and niobium nitride and trap single 88Sr ions at cryogenic temperatures. The superconducting transition is verified and characterized by measuring the resistance and critical current using a 4-wire measurement on the trap structure, and observing change in the rf reflection. The lowest observed heating rate is 2.1(3) quanta/sec at 800 kHz at 6 K and shows no significant change across the superconducting transition, suggesting that anomalous heating is primarily caused by noise sources on the surface. This demonstration of superconducting ion traps opens up possibilities for integrating trapped ions and molecular ions with superconducting devices.

  15. The effect of biasing the plasma electrode on hydrogen ion formations in a multicusp ion source

    Energy Technology Data Exchange (ETDEWEB)

    Ego, Hiroyasu; Iwashita, Yoshihisa (Kyoto Univ., Uji (Japan). Inst. for Chemical Research); Takekoshi, Hidekuni

    1992-03-01

    The plasma electrode covered with magnetic cusp fields acting as a magnetic filter was installed in a multicusp ion source. The formation processes of the negative and positive hydrogen ions in this source have been investigated when an electrostatic positive bias is applied to the plasma electrode with respect to the anode chamber. The dominant H[sup -] volume-production process is the recombinational attachment rather than the dissociative attachment when the bias voltage is more than +3V. This recombinational attachment improves the H[sup +] ratio in the extracted positive beam, keeping its current value. (author) 52 refs.

  16. Ion Source Development for Ultratrace Detection of Uranium and Thorium

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yuan [ORNL; Batchelder, Jon Charles [ORNL; Galindo-Uribarri, Alfredo {nmn} [ORNL; Stracener, Daniel W [ORNL

    2015-01-01

    A hot-cavity surface ionization source and a hot-cavity laser ion source are evaluated in terms of ionization efficiencies for generating ion beams of U and Th. The work is motivated by the need for more efficient ion sources for detecting ultratrace U and Th impurities in a copper matrix by mass spectrometry techniques such as accelerator mass spectrometry (AMS). The performances of the ion sources are characterized using uranyl nitrate and thorium nitrate sample materials and sample sizes of 20 - 40 g of U or Th. For the surface source, the dominant ion beams observed are UO+ or ThO+ and ionization efficiencies of 2-4% have been obtained with W and Re cavities. Three-step resonant photoionization of U atoms is studied and an ionization efficiency of 8.7% has been obtained with the laser ion source. The positive ion sources promise more than an order of magnitude more efficient than conventional Cs-sputter negative ion sources used for AMS. In addition, the laser ion source is highly selective and effective in suppressing interfering and ions. Work is in progress to improve the efficiencies of both positive ion sources.

  17. Crater formation by single ions, cluster ions and ion "showers"

    CERN Document Server

    Djurabekova, Flyura; Timko, Helga; Nordlund, Kai; Calatroni, Sergio; Taborelli, Mauro; Wuensch, Walter

    2011-01-01

    The various craters formed by giant objects, macroscopic collisions and nanoscale impacts exhibit an intriguing resemblance in shapes. At the same time, the arc plasma built up in the presence of sufficiently high electric fields at close look causes very similar damage on the surfaces. Although the plasma–wall interaction is far from a single heavy ion impact over dense metal surfaces or the one of a cluster ion, the craters seen on metal surfaces after a plasma discharge make it possible to link this event to the known mechanisms of the crater formations. During the plasma discharge in a high electric field the surface is subject to high fluxes (~1025 cm-2s-1) of ions with roughly equal energies typically of the order of a few keV. To simulate such a process it is possible to use a cloud of ions of the same energy. In the present work we follow the effect of such a flux of ions impinging the surface in the ‘‘shower’’ manner, to find the transition between the different mechanisms of crater formati...

  18. Development of a compact ECR ion source for various ion production

    Energy Technology Data Exchange (ETDEWEB)

    Muramatsu, M., E-mail: m-mura@nirs.go.jp; Hojo, S.; Iwata, Y.; Katagiri, K.; Sakamoto, Y.; Kitagawa, A. [National Institute of Radiological Sciences (NIRS), 4-9-1 Anagawa, Inage, Chiba 263-8555 (Japan); Takahashi, N. [Sumitomo Heavy Industries, Ltd., 19 Natsushima, Yokosuka, Kanagawa 237-8555 (Japan); Sasaki, N.; Fukushima, K.; Takahashi, K.; Suzuki, T.; Sasano, T. [Accelerator Engineering Corporation, 3-8-5 Konakadai, Inage, Chiba 263-0043 (Japan); Uchida, T.; Yoshida, Y. [Bio-Nano Electronics Research Centre, Toyo University, 2100 Kujirai, Kawagoe-shi, Saitama 350-8585 (Japan); Hagino, S.; Nishiokada, T.; Kato, Y. [Graduate School of Engineering, Osaka University, 2-1 Yamada-oka, Suita-shi, Osaka 565-0871 (Japan)

    2016-02-15

    There is a desire that a carbon-ion radiotherapy facility will produce various ion species for fundamental research. Although the present Kei2-type ion sources are dedicated for the carbon-ion production, a future ion source is expected that could provide: (1) carbon-ion production for medical use, (2) various ions with a charge-to-mass ratio of 1/3 for the existing Linac injector, and (3) low cost for modification. A prototype compact electron cyclotron resonance (ECR) ion source, named Kei3, based on the Kei series has been developed to correspond to the Kei2 type and to produce these various ions at the National Institute of Radiological Sciences (NIRS). The Kei3 has an outer diameter of 280 mm and a length of 1120 mm. The magnetic field is formed by the same permanent magnet as Kei2. The movable extraction electrode has been installed in order to optimize the beam extraction with various current densities. The gas-injection side of the vacuum chamber has enough space for an oven system. We measured dependence of microwave frequency, extraction voltage, and puller position. Charge state distributions of helium, carbon, nitrogen, oxygen, and neon were also measured.

  19. The role of space charge compensation for ion beam extraction and ion beam transport (invited)

    Energy Technology Data Exchange (ETDEWEB)

    Spädtke, Peter, E-mail: p.spaedtke@gsi.de [GSI Helmholtzzentrum für Schwerionenforschung GmbH (Germany)

    2014-02-15

    Depending on the specific type of ion source, the ion beam is extracted either from an electrode surface or from a plasma. There is always an interface between the (almost) space charge compensated ion source plasma, and the extraction region in which the full space charge is influencing the ion beam itself. After extraction, the ion beam is to be transported towards an accelerating structure in most cases. For lower intensities, this transport can be done without space charge compensation. However, if space charge is not negligible, the positive charge of the ion beam will attract electrons, which will compensate the space charge, at least partially. The final degree of Space Charge Compensation (SCC) will depend on different properties, like the ratio of generation rate of secondary particles and their loss rate, or the fact whether the ion beam is pulsed or continuous. In sections of the beam line, where the ion beam is drifting, a pure electrostatic plasma will develop, whereas in magnetic elements, these space charge compensating electrons become magnetized. The transport section will provide a series of different plasma conditions with different properties. Different measurement tools to investigate the degree of space charge compensation will be described, as well as computational methods for the simulation of ion beams with partial space charge compensation.

  20. Ion sources for heavy ion fusion (invited)

    Science.gov (United States)

    Yu, Simon S.; Eylon, S.; Chupp, W.; Henestroza, E.; Lidia, S.; Peters, C.; Reginato, L.; Tauschwitz, A.; Grote, D.; Deadrick, F.

    1996-03-01

    The development of ion sources for heavy ion fusion will be reported with particular emphasis on a recently built 2 MV injector. The new injector is based on an electrostatic quadrupole configuration, and has produced pulsed K+ ions of 950 mA peak from a 6.7 in. curved alumino silicate source. The ion beam has reached 2.3 MV with an energy flatness of ±0.2% over 1 μs. The measured normalized edge emittance of less than 1 π mm mrad is close to the source temperature limit. The design, construction, performance, and comparisons with three-dimensional particle-in-cell simulations will be described.

  1. Benign positional vertigo - aftercare

    Science.gov (United States)

    Vertigo - positional - aftercare; Benign paroxysmal positional vertigo - aftercare; BPPV - aftercare; Dizziness - positional vertigo ... Your health care provider may have treated your vertigo with the Epley maneuver . These are head movements ...

  2. Metal ions and RNA folding: a highly charged topic with a dynamic future.

    Science.gov (United States)

    Woodson, Sarah A

    2005-04-01

    Metal ions are required to stabilize RNA tertiary structure and to begin the folding process. How different metal ions enable RNAs to fold depends on the electrostatic potential of the RNA and correlated fluctuations in the positions of the ions themselves. Theoretical models, fluorescence spectroscopy, small angle scattering and structural biology reveal that metal ions alter the RNA dynamics and folding transition states. Specifically coordinated divalent metal ions mediate conformational rearrangements within ribozyme active sites.

  3. Want Positive Behavior? Use Positive Language

    Science.gov (United States)

    Wood, Chip; Freeman-Loftis, Babs

    2012-01-01

    Positive adult language is the professional use of words and tone of voice to enable students to learn in an engaged, active way. This includes learning social skills. To guide children toward choosing and maintaining positive behaviors, adults need to carefully choose the words and tone of voice used when speaking to them. Learning to use…

  4. Positive Education: Positive Psychology and Classroom Interventions

    Science.gov (United States)

    Seligman, Martin E. P.; Ernst, Randal M.; Gillham, Jane; Reivich, Karen; Linkins, Mark

    2009-01-01

    Positive education is defined as education for both traditional skills and for happiness. The high prevalence worldwide of depression among young people, the small rise in life satisfaction, and the synergy between learning and positive emotion all argue that the skills for happiness should be taught in school. There is substantial evidence from…

  5. Secondary ion emission from CO2-H2O ice irradiated by energetic heavy ions: Part I. Measurement of the mass spectra

    Science.gov (United States)

    Farenzena, L. S.; Collado, V. M.; Ponciano, C. R.; da Silveira, E. F.; Wien, K.

    2005-05-01

    Secondary ion mass spectrometry is used to investigate ion emission from a frozen-gas mixture (T = 80-90 K) of CO2 and H2O bombarded by MeV nitrogen ions and by 252Cf fission fragments (FF). The aim of the experiments is to produce organic molecules in the highly excited material around the nuclear track and to detect them in the flux of sputtered particles. Such sputter processes are known to occur at the icy surfaces of planetary or interstellar objects. Time-of-flight (TOF) mass spectrometry is employed to identify the desorbed ions. Mass spectra of positive and negative ions were taken for several molecular H2O/CO2 ratios. In special, positive ions induced by MeV nitrogen beam were analyzed for 9 and 18% H2O concentrations of the CO2-H2O ice and negative ions for ~5% H2O. The ion peaks are separated to generate exclusive the spectra of CO2 specific ions, H2O specific ions and hybrid molecular ions, the latter ones corresponding to ions that contain mostly H and C atoms. In the mass range from 10 to 320 u, the latter exhibits 35 positive and 58 negative ions. The total yield of the positive ions is 0.35 and 0.57 ions/impact, respectively, and of negative ions 0.066 ions/impact. Unexpected effects of secondary ion sputtering yields on H2O/CO2 ratio are attributed to the influence of water molecules concentration on the ionization process.

  6. Spectral distribution of the 2 → 1 two-photon transition in atoms and few-electron ions

    Indian Academy of Sciences (India)

    Ajay Kumar; S Trotsenko; A V Volotka; D Banaś; H F Beyer; H Bräuning; S Fritzsche; A Gumberidze; S Hagmann; S Hess; C Kozhuharov; R Reuschl; U Spillmann; M Trassinelli; G Weber; Th Stöhlker

    2011-02-01

    The two-photon decay of the 2 state to the ground state in dressed atoms and oneor two-electron ions has been studied for several decades. Relativistic calculations have shown an -dependence of the spectral shape of this two-photon transition in one- or two-electron ions. We have measured the spectral distribution of the 121 0 → 12 1 0 two-photon transition in He-like tin at the ESR storage ring using a new approach for such experiments. In this method, relativistic collisions of initially Li-like projectiles with a gaseous target were used to populate exclusively the first excited state, 12, of He-like tin, which provided a clean two-photon spectrum. The measured two-photon spectral distribution was compared with fully relativistic calculations. The obtained results show very good agreement with the calculations for He-like tin

  7. Level-resolved quantum statistical theory of electron capture into many-electron compound resonances in highly charged ions

    CERN Document Server

    Berengut, J C; Dzuba, V A; Flambaum, V V; Gribakin, G F

    2015-01-01

    The strong mixing of many-electron basis states in excited atoms and ions with open $f$ shells results in very large numbers of complex, chaotic eigenstates that cannot be computed to any degree of accuracy. Describing the processes which involve such states requires the use of a statistical theory. Electron capture into these 'compound resonances' leads to electron-ion recombination rates that are orders of magnitude greater than those of direct, radiative recombination, and cannot be described by standard theories of dielectronic recombination. Previous statistical theories considered this as a two-electron capture process which populates a pair of single-particle orbitals, followed by 'spreading' of the two-electron states into chaotically mixed eigenstates. This method is similar to a configuration-average approach, as it neglects potentially important effects of spectator electrons and conservation of total angular momentum. In this work we develop a statistical theory which considers electron capture in...

  8. Linear and nonlinear obliquely propagating ion-acoustic waves in magnetized negative ion plasma with non-thermal electrons

    Science.gov (United States)

    Mishra, M. K.; Jain, S. K.; Jain

    2013-10-01

    Ion-acoustic solitons in magnetized low-β plasma consisting of warm adiabatic positive and negative ions and non-thermal electrons have been studied. The reductive perturbation method is used to derive the Korteweg-de Vries (KdV) equation for the system, which admits an obliquely propagating soliton solution. It is found that due to the presence of finite ion temperature there exist two modes of propagation, namely fast and slow ion-acoustic modes. In the case of slow-mode if the ratio of temperature to mass of positive ion species is lower (higher) than the negative ion species, then there exist compressive (rarefactive) ion-acoustic solitons. It is also found that in the case of slow mode, on increasing the non-thermal parameter (γ) the amplitude of the compressive (rarefactive) soliton decreases (increases). In fast ion-acoustic mode the nature and characteristics of solitons depend on negative ion concentration. Numerical investigation in case of fast mode reveals that on increasing γ, the amplitude of compressive (rarefactive) soliton increases (decreases). The width of solitons increases with an increase in non-thermal parameters in both the modes for compressive as well as rarefactive solitons. There exists a value of critical negative ion concentration (α c ), at which both compressive and rarefactive ion-acoustic solitons appear as described by modified KdV soliton. The value of α c decreases with increase in γ.

  9. Ion Selectivity Mechanism in a Bacterial Pentameric Ligand-Gated Ion Channel

    Energy Technology Data Exchange (ETDEWEB)

    Fritsch, Sebastian M [ORNL; Ivanov, Ivaylo N [ORNL; Wang, Hailong [Mayo Clinic College of Medicine; Cheng, Xiaolin [ORNL

    2011-01-01

    The proton-gated ion channel from Gloeobacter violaceus (GLIC) is a prokaryotic homolog of the eukaryotic nicotinic acetylcholine receptor (nAChR) that responds to the binding of neurotransmitter acetylcholine and mediates fast signal transmission. Recent emergence of a high resolution crystal structure of GLIC captured in a potentially open state allowed detailed, atomic-level insight into ion conduction and selectivity mechanisms in these channels. Herein, we have examined the barriers to ion conduction and origins of ion selectivity in the GLIC channel by the construction of potential of mean force (PMF) profiles for sodium and chloride ions inside the transmembrane region. Our calculations reveal that the GLIC channel is open for a sodium ion to transport, but presents a ~10 kcal/mol free energy barrier for a chloride ion, which arises primarily from the unfavorable interactions with a ring of negatively charged glutamate residues (E-2 ) at the intracellular end and a ring of hydrophobic residues (I9 ) in the middle of the transmembrane domain. Our collective findings further suggest that the charge selection mechanism can, to a large extent, be attributed to the narrow intracellular end and a ring of glutamate residues in this position their strong negative electrostatics and ability to bind cations. By contrast, E19 at the extracellular entrance only plays a minor role in ion selectivity of GLIC. In addition to electrostatics, both ion hydration and protein dynamics are found to be crucial for ion conduction as well, which explains why a chloride ion experiences a much greater barrier than a sodium ion in the hydrophobic region of the pore.

  10. Kinetic treatment of nonlinear ion-acoustic waves in multi-ion plasma

    Science.gov (United States)

    Ahmad, Zulfiqar; Ahmad, Mushtaq; Qamar, A.

    2017-09-01

    By applying the kinetic theory of the Valsove-Poisson model and the reductive perturbation technique, a Korteweg-de Vries (KdV) equation is derived for small but finite amplitude ion acoustic waves in multi-ion plasma composed of positive and negative ions along with the fraction of electrons. A correspondent equation is also derived from the basic set of fluid equations of adiabatic ions and isothermal electrons. Both kinetic and fluid KdV equations are stationary solved with different nature of coefficients. Their differences are discussed both analytically and numerically. The criteria of the fluid approach as a limiting case of kinetic theory are also discussed. The presence of negative ion makes some modification in the solitary structure that has also been discussed with its implication at the laboratory level.

  11. Heavy-ion-acoustic solitary and shock waves in an adiabatic multi-ion plasma

    Energy Technology Data Exchange (ETDEWEB)

    Hossen, M.A.; Rahman, M.M.; Mamun, A.A., E-mail: armanplasma@gmail.com [Department of Physics, Jahangirnagar University, Savar, Dhaka (Bangladesh); Hossen, M.R. [Department of Natural Sciences, Daffodil International University, Dhanmondi, Dhaka (Bangladesh)

    2015-08-15

    The standard reductive perturbation method has been employed to derive the Korteweg-deVries (K-dV) and Burgers (BG) equations to investigate the basic properties of heavy-ion-acoustic (HIA) waves in a plasma system which is supposed to be composed of nonthermal electrons, Boltzmann distributed light ions, and adiabatic positively charged inertial heavy ions. The HIA solitary and shock structures are found to exist with either positive or negative potential. It is found that the effects of adiabaticity of inertial heavy ions, nonthermality of electrons, and number densities of plasma components significantly modify the basic properties of the HIA solitary and shock waves. The implications of our results may be helpful in understanding the electrostatic perturbations in various laboratory and astrophysical plasma environments. (author)

  12. Scalable Quantum Computing Architecture with Mixed Species Ion Chains

    CERN Document Server

    Wright, John; Chou, Chen-Kuan; Graham, Richard D; Noel, Thomas W; Sakrejda, Tomasz; Zhou, Zichao; Blinov, Boris B

    2014-01-01

    We report on progress towards implementing mixed ion species quantum information processing for a scalable ion trap architecture. Mixed species chains may help solve several problems with scaling ion trap quantum computation to large numbers of qubits. Initial temperature measurements of linear Coulomb crystals containing barium and ytterbium ions indicate that the mass difference does not significantly impede cooling at low ion numbers. Average motional occupation numbers are estimated to be $\\bar{n} \\approx 130$ quanta per mode for chains with small numbers of ions, which is within a factor of three of the Doppler limit for barium ions in our trap. We also discuss generation of ion-photon entanglement with barium ions with a fidelity of $F \\ge 0.84$, which is an initial step towards remote ion-ion coupling in a more scalable quantum information architecture. Further, we are working to implement these techniques in surface traps in order to exercise greater control over ion chain ordering and positioning.

  13. The Li-ion rechargeable battery: a perspective.

    Science.gov (United States)

    Goodenough, John B; Park, Kyu-Sung

    2013-01-30

    Li(+) transfer across the electrode/electrolyte interface and lowers the cycle life of a battery cell. Moreover, formation of a passivation layer on the anode robs Li from the cathode irreversibly on an initial charge, further lowering the reversible Δt. These problems plus the cost of quality control of manufacturing plague development of Li-ion rechargeable batteries that can compete with the internal combustion engine for powering electric cars and that can provide the needed low-cost storage of electrical energy generated by renewable wind and/or solar energy. Chemists are contributing to incremental improvements of the conventional strategy by investigating and controlling electrode passivation layers, improving the rate of Li(+) transfer across electrode/electrolyte interfaces, identifying electrolytes with larger windows while retaining a Li(+) conductivity σ(Li) > 10(-3) S cm(-1), synthesizing electrode morphologies that reduce the size of the active particles while pinning them on current collectors of large surface area accessible by the electrolyte, lowering the cost of cell fabrication, designing displacement-reaction anodes of higher capacity that allow a safe, fast charge, and designing alternative cathode hosts. However, new strategies are needed for batteries that go beyond powering hand-held devices, such as using electrode hosts with two-electron redox centers; replacing the cathode hosts by materials that undergo displacement reactions (e.g. sulfur) by liquid cathodes that may contain flow-through redox molecules, or by catalysts for air cathodes; and developing a Li(+) solid electrolyte separator membrane that allows an organic and aqueous liquid electrolyte on the anode and cathode sides, respectively. Opportunities exist for the chemist to bring together oxide and polymer or graphene chemistry in imaginative morphologies.

  14. Integrated optical addressing of an ion qubit

    CERN Document Server

    Mehta, Karan K; McConnell, Robert; Ram, Rajeev J; Sage, Jeremy M; Chiaverini, John

    2015-01-01

    Scalable implementation of the optics required to control trapped atomic ions' quantum states will be required to construct large-scale ion trap quantum information processors. All experiments in ion traps so far have employed approaches cumbersome to scale to even a few tens of qubits, with the majority relying on manipulation of free space beams with bulk optics. Here we demonstrate lithographically defined nanophotonic dielectric waveguides integrated within a linear surface-electrode ion trap chip, and qubit addressing at multiple locations via focusing grating couplers that emit through openings in the trap electrodes to an ion trapped 50 $\\mu$m above the chip. We perform quantum coherent operations using visible light routed in and emitted from silicon nitride waveguides and couplers, on the optical qubit transition in individual $^{88}$Sr$^+$ ions. The addressing beam is focused near the ion position with a 2 $\\mu$m 1/$e^2$-radius along the trap axis, and we measure crosstalk errors between $10^{-2}$ a...

  15. Saddle antenna radio frequency ion sources

    Energy Technology Data Exchange (ETDEWEB)

    Dudnikov, V., E-mail: vadim@muonsinc.com; Johnson, R. [Muons, Inc., Batavia, Illinois 60510 (United States); Murray, S.; Pennisi, T.; Santana, M.; Piller, C.; Stockli, M.; Welton, R. [ORNL, Oak Ridge, Tennessee 37831 (United States); Breitschopf, J. [TLU, Seguin, Texas 78155 (United States); Dudnikova, G. [UMD, College Park, Maryland 32611 (United States); Institute of Computational Technologies SBRAS, Novosibirsk (Russian Federation)

    2016-02-15

    Existing RF ion sources for accelerators have specific efficiencies for H{sup +} and H{sup −} ion generation ∼3–5 mA/cm{sup 2} kW, where about 50 kW of RF power is typically needed for 50 mA beam current production. The Saddle Antenna (SA) surface plasma source (SPS) described here was developed to improve H{sup −} ion production efficiency, reliability, and availability. In SA RF ion source, the efficiency of positive ion generation in the plasma has been improved to 200 mA/cm{sup 2} kW. After cesiation, the current of negative ions to the collector was increased from 1 mA to 10 mA with RF power ∼1.5 kW in the plasma (6 mm diameter emission aperture) and up to 30 mA with ∼4 kW RF. Continuous wave (CW) operation of the SA SPS has been tested on the test stand. The general design of the CW SA SPS is based on the pulsed version. Some modifications were made to improve the cooling and cesiation stability. CW operation with negative ion extraction was tested with RF power up to ∼1.2 kW in the plasma with production up to Ic = 7 mA. A stable long time generation of H{sup −} beam without degradation was demonstrated in RF discharge with AlN discharge chamber.

  16. Variables Affecting Two Electron Transport System Assays

    OpenAIRE

    Burton, G. Allen; Lanza, Guy R.

    1986-01-01

    Several methodological variables were critical in two commonly used electron transport activity assays. The dehydrogenase assay based on triphenyl formazan production exhibited a nonlinear relationship between formazan production (dehydrogenase activity) and sediment dilution, and linear formazan production occurred for 1 h in sediment slurries. Activity decreased with increased time of sediment storage at 4°C. Extraction efficiencies of formazan from sediment varied with alcohol type; methan...

  17. Ion drive - A step toward 'Star Trek'

    Science.gov (United States)

    Atkins, K. L.; Terwilliger, C.

    1976-01-01

    The design of a solar-powered electric propulsion system is seen as the first step in the ultimate development of an ion drive system which might incorporate many features of a spacecraft propulsion system described in a science fiction novel written by Anderson (1970). The considered ion propulsion systems would make it possible to augment significantly the operational capabilities of space transportation systems utilizing the Shuttle orbiter in combination with a solid-propellant interim upper stage. The use of the ion drive in a number of applications is discussed, giving attention to the resulting enhancement of national space capabilities, the role of the ion drive in the space transportation system, the development and the operation of a manned space station, satellite positioning and service, the elimination of space debris objects, the study of Halley's comet, interplanetary or lunar shuttle services, and space missions involving the outer planets.

  18. Negative ions as a source of low energy neutral beams

    Energy Technology Data Exchange (ETDEWEB)

    Fink, J.H.

    1980-01-01

    Little consideration has been given to the impact of recent developments in negative ion source technology on the design of low energy neutral beam injectors. However, negative ion sources of improved operating efficiency, higher gas efficiency, and smaller beam divergence will lead to neutral deuterium injectors, operating at less than 100 keV, with better operating efficiencies and more compact layouts than can be obtained from positive ion systems.

  19. High energy ion hit technique to local area using microbeam

    Energy Technology Data Exchange (ETDEWEB)

    Tanaka, Ryuichi; Kamiya, Tomihiro; Suda, Tamotsu; Sakai, Takuro; Hirao, Toshio; Kobayashi, Yasuhiko; Watanabe, Hiroshi [Japan Atomic Energy Research Inst., Takasaki, Gunma (Japan). Takasaki Radiation Chemistry Research Establishment

    1997-03-01

    Single energetic ion hit technique has been developed as an application of ion microbeam technique, in order to study the effect of local damage or injury to materials and living organisms. The overall performance is basically defined by those of separate techniques: microbeam formation, microbeam positioning, single ion detection, detection signal processing, hit timing control, and hit verification. Recent progress on the developments of these techniques at JAERI-TIARA facility are reviewed. (author)

  20. Negative Joule Heating in Ion-Exchange Membranes

    OpenAIRE

    Biesheuvel, P. M.; D. Brogioli; Hamelers, H. V. M.

    2014-01-01

    In ion-exchange membrane processes, ions and water flow under the influence of gradients in hydrostatic pressure, ion chemical potential, and electrical potential (voltage), leading to solvent flow, ionic fluxes and ionic current. At the outer surfaces of the membranes, electrical double layers (EDLs) are formed (Donnan layers). When a current flows through the membrane, we argue that besides the positive Joule heating in the bulk of the membrane and in the electrolyte outside the membrane, t...