Development and experimental evaluation of theoretical models for ion cyclotron resonance frequency heating of tokamak plasmas

Energy Technology Data Exchange (ETDEWEB)

Mantsinen, M. [Helsinki Univ. of Technology, Espoo (Finland). Dept. of Technical Physics

1999-06-01

Heating with electromagnetic waves in the ion cyclotron range of frequencies (ICRF) is a well-established method for auxiliary heating of present-day tokamak plasmas and is envisaged as one of the main heating techniques for the International Thermonuclear Experimental Reactor (ITER) and future reactor plasmas. In order to predict the performance of ICRF heating in future machines, it is important to benchmark present theoretical modelling with experimental results on present tokamaks. This thesis reports on development and experimental evaluation of theoretical models for ICRF heating at the Joint European Torus (JET). Several ICRF physics effects and scenarios have been studied. Direct importance to the ITER is the theoretical analysis of ICRF heating experiments with deuterium-tritium (D-T) plasmas. These experiments clearly demonstrate the potential of ICRF heating for auxiliary heating of reactor plasmas. In particular, scenarios with potential for good bulk ion heating and enhanced D-T fusion reactivity have been identified. Good bulk ion heating is essential for reactor plasmas in order to obtain a high ion temperature and a high fusion reactivity. In JET good bulk ion heating with ICRF waves has been achieved in high-performance discharges by adding ICRF heating to neutral beam injection. In these experiments, as in other JET discharges where damping at higher harmonics of the ion cyclotron frequency takes place, so-called finite Larmor radius (FLR) effects play an important role. Due to FLR effects, the resonating ion velocity distribution function can have a strong influence on the power deposition. Evidence for this effect has been obtained from the third harmonic deuterium heating experiments. Because of FLR effects, the wave-particle interaction can also become weak at certain ion energies, which prevents resonating ions from reaching higher energies. When interacting with the wave, an ion receives not only a change in energy but also a change in

Theoretical studies of the electronic structure of the ions KCs+ and RbCs+

International Nuclear Information System (INIS)

Abdul Al, Saleh Nabhan

2000-01-01

Author.the theoretical investigation of the electronic structure of the molecular ions KCs + and RbCs + , by using ab initio calculation, is being considered. Some of the approximation methods may form a theoretical model; with which many physical properties of molecular systems can be explored by once a mathematical procedure has been implanted through a computer program. This theoretical structure is referred to as ab initio electronic structure. The Hamiltonian for a multi-electron system cannot be separated into one-electron parts without making the independent electron approximation. The one-electron molecular wave function is referred to as molecular orbital (MO). The MOs may be expressed as linear combinations of atomic orbitals. Making the Born-Oppenheimer approximation, we seek to solve for the electronic eigenfunctions and eigenvalues with the nuclei fixed at various separation distances. A rigorous variational calculation on a system involves the following steps: write down the Hamiltonian operator for the system; Select some mathematical functional form ψ as the trial wave function. This form should have variable parameters (we take ψto be made up of Slater determinants containing molecular-spin orbitals); Minimize the average value of the energy (E) with respect to variations in the parameters. We describe an approach in the ab initio calculations, called the self-consistent field (SCF) method. The Hartree-Fock equation is obtained by requiring E to be stationary with respect to variations in ψ. The best MOs are eigenfunctions of the Fock operator. The instantaneous part of the interaction that SCF neglects is referred to as electron correlation. One general technique, for including the effects of correlation, is called configuration interaction (CI). Moeller-Plesset perturbation theory is an alternative approach to the correlation problem. The calculation has been performed for the two molecular ions, through the CI PSI (Configuration Interaction

Cytosine Radical Cations: A Gas-Phase Study Combining IRMPD Spectroscopy, UVPD Spectroscopy, Ion-Molecule Reactions, and Theoretical Calculations

Czech Academy of Sciences Publication Activity Database

Lesslie, M.; Lawler, J. T.; Dang, A.; Korn, J. A.; Bím, Daniel; Steinmetz, V.; Maitre, P.; Tureček, F.; Ryzhov, V.

2017-01-01

Roč. 18, č. 10 (2017), s. 1293-1301 ISSN 1439-4235 Institutional support: RVO:61388963 Keywords : ion-molecule reactions * IRMPD spectroscopy * nucleobases * radical ions * UVPD spectroscopy Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 3.075, year: 2016

A theoretical study on the influence of the homogeneity of heavy-ion irradiation field on the survival fraction of cells

International Nuclear Information System (INIS)

Wen Xiaoqiong; Li Qiang; Zhou Guangming; Li Wenjian; Wang Jufang; Wei Zengquan

2001-01-01

In order to provide theoretical basis for the homogeneity request of heavy-ion irradiation field, the most important design parameter of the heavy-ion radiotherapy facility planned in IMP (Institute of Modern Physics), the influence of the homogeneity of heavy-ion irradiation field on the survival fraction of cells was investigated theoretically. A formula for survival fraction of cells irradiated by the un-uniform heavy-ion irradiation field was deduced to estimate the influence of the homogeneity of heavy-ion irradiation field on the survival fraction of cells. The results show that the survival fraction of cells irradiation by the un-uniform irradiation field is larger than that of cells irradiated by the uniform irradiation field, and the survival fraction of cells increases as the homogeneity of heavy-ion irradiation field decreasing. Practically, the heavy-ion irradiation field can be treated as uniform irradiation field when its homogeneity is better than 95%. According to these results, design request for the homogeneity of heavy-ion irradiation field should be better than 95%. The present results also show that the agreement of homogeneity of heavy-ion irradiation field must be checked while comparing the survival fraction curves obtained by different laboratory

External excitation of ion cyclotron drift waves in a two-ion species plasma

International Nuclear Information System (INIS)

Kando, M.; Ikezawa, S.; Sugai, H.

1984-01-01

Ion cyclotron drift waves propagating across a density gradient and a magnetic field have been excited externally in a two-ion species plasma, with its concentration ratio controlled. The measured dispersion relations agree with the theoretical predictions. (author)

Precise measurements and theoretical calculations of He-like ion resonance line satellites radiated from Be-, B-, C-, N-, O-, and F-like ions

International Nuclear Information System (INIS)

Faenov, A.Ya.; Pikuz, S.A.; Shlyaptseva, A.S.

1994-01-01

Spectra with spectral resolution λ/Δλ∼ =3000-7000 in the vicinity of the He-like ion resonance lines Mg, Al, Si, P, S were obtained in CO 2 laser-produced plasma. The wavelengths of these satellites were measured and compared with numerical calculations. Identification of lines or a group of overlapping lines was performed. Twenty-two transitions of dielectronic satellites for Be-like ions, 41 transitions for B-like, 40 transitions for C-like, 22 transitions for N-like, 12 transitions for O-like ions and 2 transitions for F-like ions were identified. The average between theoretical and experimental wavelengths was ±(0.0005-0.001) A, but in some cases it was ±(0.002-0.003) A. (orig.)

Precise measurements and theoretical calculations of He-like ion resonance line satellites radiated from Be-, B-, C-, N-, O-, and F-like ions

Energy Technology Data Exchange (ETDEWEB)

Faenov, A.Ya. [MISDC, NPO `VNIIFTRI`, Mendeleevo (Russian Federation); Pikuz, S.A. [P.N. Lebedev Physical Inst., Russian Academy of Sciences, Moscow (Russian Federation); Shlyaptseva, A.S. [Inst. of Technical Glasses, Moscow (Russian Federation)

1994-01-01

Spectra with spectral resolution {lambda}/{Delta}{lambda}{approx} =3000-7000 in the vicinity of the He-like ion resonance lines Mg, Al, Si, P, S were obtained in CO{sub 2} laser-produced plasma. The wavelengths of these satellites were measured and compared with numerical calculations. Identification of lines or a group of overlapping lines was performed. Twenty-two transitions of dielectronic satellites for Be-like ions, 41 transitions for B-like, 40 transitions for C-like, 22 transitions for N-like, 12 transitions for O-like ions and 2 transitions for F-like ions were identified. The average between theoretical and experimental wavelengths was {+-}(0.0005-0.001) A, but in some cases it was {+-}(0.002-0.003) A. (orig.).

Protonation of caffeine: A theoretical and experimental study

Energy Technology Data Exchange (ETDEWEB)

Bahrami, Hamed [Department of Chemistry, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of); Tabrizchi, Mahmoud, E-mail: m-tabriz@cc.iut.ac.ir [Department of Chemistry, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of); Farrokhpour, Hossein [Department of Chemistry, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of)

2013-03-29

Highlights: ► Protonation of caffeine was examined by ion mobility spectrometry equipped with two ionization sources. ► Experimental and theoretical evidence was collected to assign the observed peaks to caffeine related ionic species. ► A new concept of “internal proton affinity”, the protonation tendency for each atom in a molecule, was defined. - Abstract: Protonation of caffeine was examined by ion mobility spectrometry equipped with two ionization sources, corona discharge (CD) and UV photoionization. Three peaks were observed in ion mobility spectrum by simultaneously running the two ionization sources. Experimental and theoretical evidence was collected to link the observed peaks to caffeine related ionic species. One peak was attributed to the M{sup +} ion while the other two were assigned to different protonated isomers of caffeine. In the case of CD ionization source, it was observed that different sites of caffeine compete for protonation and their relative intensities, depends on the sample concentration as well as the nature of the reactant ions. The new concept of “internal proton affinity” (IPA) was defined to express the tendency of holding the added proton for each atom in a molecule.

Protonation of caffeine: A theoretical and experimental study

International Nuclear Information System (INIS)

Bahrami, Hamed; Tabrizchi, Mahmoud; Farrokhpour, Hossein

2013-01-01

Highlights: ► Protonation of caffeine was examined by ion mobility spectrometry equipped with two ionization sources. ► Experimental and theoretical evidence was collected to assign the observed peaks to caffeine related ionic species. ► A new concept of “internal proton affinity”, the protonation tendency for each atom in a molecule, was defined. - Abstract: Protonation of caffeine was examined by ion mobility spectrometry equipped with two ionization sources, corona discharge (CD) and UV photoionization. Three peaks were observed in ion mobility spectrum by simultaneously running the two ionization sources. Experimental and theoretical evidence was collected to link the observed peaks to caffeine related ionic species. One peak was attributed to the M + ion while the other two were assigned to different protonated isomers of caffeine. In the case of CD ionization source, it was observed that different sites of caffeine compete for protonation and their relative intensities, depends on the sample concentration as well as the nature of the reactant ions. The new concept of “internal proton affinity” (IPA) was defined to express the tendency of holding the added proton for each atom in a molecule

Theoretical investigation of dielectronic recombination of Sn12+ ions

International Nuclear Information System (INIS)

Fu, Y. B.; Dong, C. Z.; Su, M. G.; Koike, F.; O'Sullivan, G.; Wang, J. G.

2011-01-01

Theoretical calculations have been made for the dielectronic recombination (DR) rate coefficients of Sn 12+ ion using a relativistic flexible atomic code with configuration interaction. Comparison of the rate coefficients for 4s, 4p, and 4d subshell excitation shows that while the 4p subshell excitation dominates over the whole temperature region, 4d subshell excitation at low temperature and 4s subshell excitation at high temperature cannot be neglected. In order to facilitate simple applications, the calculated DR rate coefficients are fitted to an empirical formula. The total DR rate coefficient is greater than either the radiative recombination or three-body recombination coefficients for electron temperatures greater than 1 eV. Therefore, DR can strongly influence the ionization balance of laser-produced tin plasmas.

Theoretical predictor for candidate structure assignment from IMS data of biomolecule-related conformational space.

Science.gov (United States)

Schenk, Emily R; Nau, Frederic; Fernandez-Lima, Francisco

2015-06-01

The ability to correlate experimental ion mobility data with candidate structures from theoretical modeling provides a powerful analytical and structural tool for the characterization of biomolecules. In the present paper, a theoretical workflow is described to generate and assign candidate structures for experimental trapped ion mobility and H/D exchange (HDX-TIMS-MS) data following molecular dynamics simulations and statistical filtering. The applicability of the theoretical predictor is illustrated for a peptide and protein example with multiple conformations and kinetic intermediates. The described methodology yields a low computational cost and a simple workflow by incorporating statistical filtering and molecular dynamics simulations. The workflow can be adapted to different IMS scenarios and CCS calculators for a more accurate description of the IMS experimental conditions. For the case of the HDX-TIMS-MS experiments, molecular dynamics in the "TIMS box" accounts for a better sampling of the molecular intermediates and local energy minima.

The effects of correlation, relativity, quantum electrodynamics, nuclear size and parity non-conservation in alkali atoms and alkali-like ions

International Nuclear Information System (INIS)

Tiwary, S.N.

1995-01-01

The present review briefly presents the growing experimental as well as theoretical interests in recent years in the effects of (1) correlation, (2) relativity, (3) quantum electrodynamic (QED), (4) finite nuclear size (FNS) and (5) parity non-conservation (PNC) on the high precision electronic structure of alkali atoms and alkali-like ions. Many high precision experiments have been performed which need very high accurate theoretical prediction for correct interpretation and identification of different physical effects involved. Some experiments separate these effects and some do not. Several sophisticated theoretical techniques have been developed for corrections of these effects which play an extremely important role in order to obtain results of high accuracy to well below 1% level and to understand experimental observations of high precision. Correlation, relativity and finite nuclear size effects have been treated on an equal footing in some theoretical methods but QED and PNC have been calculated separately. At present, there is no theory which accounts all five effects in a coherent and unified manner. Future challenges and directions, in reliable structure calculations in atoms and ions, have been discussed and suggested. (author). 83 refs, 3 figs, 9 tabs

A theoretical approach to sputtering due to molecular ion bombardment, 1

International Nuclear Information System (INIS)

Karashima, Shosuke; Ootoshi, Tsukuru; Kamiyama, Masahide; Kim, Pil-Hyon; Namba, Susumu.

1981-01-01

A shock wave model is proposed to explain theoretically the non-linear effects in sputtering phenomena by molecular ion bombardments. In this theory the sputtering processes are separated into two parts; one is due to linear effects and another is due to non-linear effects. The treatment of the linear parts is based on the statistical model by Schwarz and Helms concerning a broad range of atomic collision cascades. The non-linear parts are treated by the model of shock wave due to overlapping cascades, and useful equations to calculate the sputtering yields and the dynamical quantities in the system are derived. (author)

A quantum theoretical study of reactions of methyldiazonium ion with DNA base pairs

International Nuclear Information System (INIS)

Shukla, P.K.; Ganapathy, Vinay; Mishra, P.C.

2011-01-01

Graphical abstract: Reactions of methyldiazonium ion at the different sites of the DNA bases in the Watson-Crick GC and AT base pairs were investigated employing density functional and second order Moller-Plesset (MP2) perturbation theories. Display Omitted Highlights: → Methylation of the DNA bases is important as it can cause mutation and cancer. → Methylation reactions of the GC and AT base pairs with CH 3 N 2 + were not studied earlier theoretically. → Experimental observations have been explained using theoretical methods. - Abstract: Methylation of the DNA bases in the Watson-Crick GC and AT base pairs by the methyldiazonium ion was investigated employing density functional and second order Moller-Plesset (MP2) perturbation theories. Methylation at the N3, N7 and O6 sites of guanine, N1, N3 and N7 sites of adenine, O2 and N3 sites of cytosine and the O2 and O4 sites of thymine were considered. The computed reactivities for methylation follow the order N7(guanine) > N3(adenine) > O6(guanine) which is in agreement with experiment. The base pairing in DNA is found to play a significant role with regard to reactivities of the different sites.

Ion-Beam-Excited Electrostatic Ion Cyclotron Waves

DEFF Research Database (Denmark)

Michelsen, Poul; Pécseli, Hans; Juul Rasmussen, Jens

1976-01-01

Self-excited electrostatic ion cyclotron waves were observed in an ion-beam-plasma system produced in a DP-operated Q-machine. The frequency of the waves showed the theoretically predicted variation with the magnetic field.......Self-excited electrostatic ion cyclotron waves were observed in an ion-beam-plasma system produced in a DP-operated Q-machine. The frequency of the waves showed the theoretically predicted variation with the magnetic field....

Comparisons of theoretically predicted transport from ion temperature gradient instabilities to L-mode tokamak experiments

International Nuclear Information System (INIS)

Kotschenreuther, M.; Wong, H.V.; Lyster, P.L.; Berk, H.L.; Denton, R.; Miner, W.H.; Valanju, P.

1991-12-01

The theoretical transport from kinetic micro-instabilities driven by ion temperature gradients is a sheared slab is compared to experimentally inferred transport in L-mode tokamaks. Low noise gyrokinetic simulation techniques are used to obtain the ion thermal transport coefficient X. This X is much smaller than in experiments, and so cannot explain L-mode confinement. Previous predictions based on fluid models gave much greater X than experiments. Linear and nonlinear comparisons with the fluid model show that it greatly overestimates transport for experimental parameters. In addition, disagreements among previous analytic and simulation calculations of X in the fluid model are reconciled

Theoretical investigation of the use of nanocages with an adsorbed halogen atom as anode materials in metal-ion batteries.

Science.gov (United States)

Razavi, Razieh; Abrishamifar, Seyyed Milad; Rajaei, Gholamreza Ebrahimzadeh; Kahkha, Mohammad Reza Rezaei; Najafi, Meysam

2018-02-21

The applicability of C 44 , B 22 N 22 , Ge 44 , and Al 22 P 22 nanocages, as well as variants of those nanocages with an adsorbed halogen atom, as high-performance anode materials in Li-ion, Na-ion, and K-ion batteries was investigated theoretically via density functional theory. The results obtained indicate that, among the nanocages with no adsorbed halogen atom, Al 22 P 22 would be the best candidate for a novel anode material for use in metal-ion batteries. Calculations also suggest that K-ion batteries which utilize these nanocages as anode materials would give better performance and would yield higher cell voltages than the corresponding Li-ion and Na-ion batteries with nanocage-based anodes. Also, the results for the nanocages with an adsorbed halogen atom imply that employing them as anode materials would lead to higher cell voltages and better metal-ion battery performance than if the nanocages with no adsorbed halogen atom were to be used as anode materials instead. Results further implied that nanocages with an adsorbed F atom would give higher cell voltages and better battery performance than nanocages with an adsorbed Cl or Br atom. We were ultimately able to conclude that a K-ion battery that utilized Al 21 P 22 with an adsorbed F atom as its anode material would afford the best metal-ion battery performance; we therefore propose this as a novel highly efficient metal-ion battery. Graphical abstract The results of a theoretical investigation indicated that Al 22 P 22 is a better candidate for a high-performance anode material in metal-ion batteries than Ge 44 is. Calculations also showed that K-ion batteries with nanocage-based anodes would produce higher cell voltages and perform better than the equivalent Li-ion and Na-ion batteries with nanocage-based anodes, and that anodes based on nanocages with an adsorbed F atom would perform better than anodes based on nanocages with an adsorbed Cl or Br atom.

Ions upstream of the earth's bow shock: a theoretical comparison of alternative source populations

International Nuclear Information System (INIS)

Schwartz, S.J.; Thomsen, M.F.; Gosling, J.T.

1983-01-01

A theoretical framework is developed for studying trajectories of ions reflected or leaked upstream from the earth's bow shock and subject solely to the Lorentz force in a steady interplanetary magnetic field B and the V x B electric field. We include the effects of a sharp shock potential rise. Expressions are derived for the guiding center motion and gyromotion in a frame (the Hoffman-Teller frame) moving parallel to the shock surface with sufficient speed to transform the incident solar wind velocity into motion entirely along the interplanetary magnetic field: the appropriate equations are also provided to transform these motions back to the observer's frame. The utility of these expressions is illustrated by comparing the predicted upstream motions for four different source models for upstream ions: magnetic moment-conserving reflection of the solar wind ions, specular reflection of solar wind ions, magnetic moment-conserving leakage of magnetosheath ions, and leakage of magnetosheath ions parallel to the shock normal. This comparison reveals that, for identical geometries, the reflection models produce higher energies and/or gyromotion than do the leakage models. We further argue that in a single simple encounter with the shock, an ion should behave in an unmagnetized manner and hence should not conserve its magnetic moment. Conservation of magnetic moment, if it is to occur, would seem to require multiple encounters with the shock. We investigate the conditions under which such multiple encounters can occur and find that under most quasi-parallel geometries neither leaked nor reflected ions should probably conserve their magnetic moments

Rotation driven translational diffusion of polyatomic ions in water: A novel mechanism for breakdown of Stokes-Einstein relation

Science.gov (United States)

Banerjee, Puja; Yashonath, Subramanian; Bagchi, Biman

2017-04-01

While most of the existing theoretical and simulation studies have focused on simple, spherical, halide and alkali ions, many chemically, biologically, and industrially relevant electrolytes involve complex non-spherical polyatomic ions like nitrate, chlorate, and sulfate to name only a few. Interestingly, some polyatomic ions in spite of being larger in size show anomalously high diffusivity and therefore cause a breakdown of the venerable Stokes-Einstein (S-E) relation between the size and diffusivity. Here we report a detailed analysis of the dynamics of anions in aqueous potassium nitrate (KNO3) and aqueous potassium acetate (CH3COOK) solutions. The two ions, nitrate (-NO3) and acetate (CH3-CO2 ), with their similar size show a large difference in diffusivity values. We present evidence that the translational motion of these polyatomic ions is coupled to the rotational motion of the ion. We show that unlike the acetate ion, nitrate ion with a symmetric charge distribution among all periphery oxygen atoms shows a faster rotational motion with large amplitude rotational jumps which enhances its translational motion due to translational-rotational coupling. By creating a family of modified-charge model systems, we have analysed the rotational motion of asymmetric polyatomic ions and the contribution of it to the translational motion. These model systems help clarifying and establishing the relative contribution of rotational motion in enhancing the diffusivity of the nitrate ion over the value predicted by the S-E relation and also over the other polyatomic ions having asymmetric charge distribution like the acetate ion. In the latter case, reduced rotational motion results in lower diffusivity values than those with symmetric charge distribution. We propose translational-rotational coupling as a general mechanism of the breakdown of the S-E relation in the case of polyatomic ions.

Overview. Department of Theoretical Physics. Section 4

Energy Technology Data Exchange (ETDEWEB)

Kwiecinski, J. [Institute of Nuclear Physics, Cracow (Poland)

1995-12-31

Research activity of the Department of the Theoretical Physics spans a wide variety of problems in theoretical high-energy and elementary particle physics, theoretical nuclear physics, theory of the nuclear matter, quark gluon plasma and relativistic heavy-ion collisions, theoretical astrophysics, as well as general physics. Theoretical research in high energy and elementary particle physics is concentrated on the theory of deep inelastic lepton scattering in the region of low x and its phenomenological implication for the ep collider HERA at DESY, on the theory of nonleptonic decays of hadrons, and on low energy {pi}{pi} and K-anti-K interactions and scalar meson spectroscopy. The activity in the theory of relativistic heavy-ion collisions is focused on the study of quark condensate fluctuations, on the analysis of critical scattering near the chiral phase transition, and on Bose-Einstein correlation in heavy-ion collisions. Theoretical studies in nuclear physics and in theory of nuclear matter concern analysis of models, with dynamical symmetry based on group S{sub p}(6,R) for the description of collective modes of atomic nuclei, analysis of the Goldstone bosons in nuclear matter and analysis of saturation properties of nuclear matter. Research in theoretical astrophysics is mainly devoted to the analysis of magnetic properties of hadronic matter in neutron stars with proton admixture. Studies in general physics concern problem related to the Galilean covariance of classical and quantum mechanics. The detailed results obtained in various fields are summarised in presented abstracts as well as information about employed personnel, publications, contribution to conferences, reports, workshops and seminars.

Overview. Department of Theoretical Physics. Section 4

Energy Technology Data Exchange (ETDEWEB)

Kwiecinski, J [Institute of Nuclear Physics, Cracow (Poland)

1996-12-31

Research activity of the Department of the Theoretical Physics spans a wide variety of problems in theoretical high-energy and elementary particle physics, theoretical nuclear physics, theory of the nuclear matter, quark gluon plasma and relativistic heavy-ion collisions, theoretical astrophysics, as well as general physics. Theoretical research in high energy and elementary particle physics is concentrated on the theory of deep inelastic lepton scattering in the region of low x and its phenomenological implication for the ep collider HERA at DESY, on the theory of nonleptonic decays of hadrons, and on low energy {pi}{pi} and K-anti-K interactions and scalar meson spectroscopy. The activity in the theory of relativistic heavy-ion collisions is focused on the study of quark condensate fluctuations, on the analysis of critical scattering near the chiral phase transition, and on Bose-Einstein correlation in heavy-ion collisions. Theoretical studies in nuclear physics and in theory of nuclear matter concern analysis of models, with dynamical symmetry based on group S{sub p}(6,R) for the description of collective modes of atomic nuclei, analysis of the Goldstone bosons in nuclear matter and analysis of saturation properties of nuclear matter. Research in theoretical astrophysics is mainly devoted to the analysis of magnetic properties of hadronic matter in neutron stars with proton admixture. Studies in general physics concern problem related to the Galilean covariance of classical and quantum mechanics. The detailed results obtained in various fields are summarised in presented abstracts as well as information about employed personnel, publications, contribution to conferences, reports, workshops and seminars.

Overview. Department of Theoretical Physics. Section 4

International Nuclear Information System (INIS)

Kwiecinski, J.

1995-01-01

Research activity of the Department of the Theoretical Physics spans a wide variety of problems in theoretical high-energy and elementary particle physics, theoretical nuclear physics, theory of the nuclear matter, quark gluon plasma and relativistic heavy-ion collisions, theoretical astrophysics, as well as general physics. Theoretical research in high energy and elementary particle physics is concentrated on the theory of deep inelastic lepton scattering in the region of low x and its phenomenological implication for the ep collider HERA at DESY, on the theory of nonleptonic decays of hadrons, and on low energy ππ and K-anti-K interactions and scalar meson spectroscopy. The activity in the theory of relativistic heavy-ion collisions is focused on the study of quark condensate fluctuations, on the analysis of critical scattering near the chiral phase transition, and on Bose-Einstein correlation in heavy-ion collisions. Theoretical studies in nuclear physics and in theory of nuclear matter concern analysis of models, with dynamical symmetry based on group S p (6,R) for the description of collective modes of atomic nuclei, analysis of the Goldstone bosons in nuclear matter and analysis of saturation properties of nuclear matter. Research in theoretical astrophysics is mainly devoted to the analysis of magnetic properties of hadronic matter in neutron stars with proton admixture. Studies in general physics concern problem related to the Galilean covariance of classical and quantum mechanics. The detailed results obtained in various fields are summarised in presented abstracts as well as information about employed personnel, publications, contribution to conferences, reports, workshops and seminars

Fusion-Related Ionization and Recombination Data for Tungsten Ions in Low to Moderately High Charge States

Directory of Open Access Journals (Sweden)

Alfred Müller

2015-05-01

Full Text Available Collisional processes and details of atomic structure of heavy many-electron atoms and ions are not yet understood in a fully satisfying manner. Experimental studies are required for guiding new theoretical approaches. In response to fusion-related needs for collisional and spectroscopic data on tungsten atoms in all charge states, a project has been initiated in which electron-impact and photon-induced ionization as well as photorecombination of Wq+ ions are studied. Cross sections and rate coefficients were determined for charge states q ranging from q = 1 to q = 5 for photoionization, for q = 1 up to q = 19 for electron-impact ionization and for q = 18 to q = 21 for electron-ion recombination. An overview, together with a critical assessment of the methods and results is provided.

Theoretical Study of Radiation from a Broad Range of Impurity Ions for Magnetic Fusion Diagnostics

Energy Technology Data Exchange (ETDEWEB)

Safronova, Alla [Univ. of Nevada, Reno, NV (United States)

2014-03-14

Spectroscopy of radiation emitted by impurities plays an important role in the study of magnetically confined fusion plasmas. The measurements of these impurities are crucial for the control of the general machine conditions, for the monitoring of the impurity levels, and for the detection of various possible fault conditions. Low-Z impurities, typically present in concentrations of 1%, are lithium, beryllium, boron, carbon, and oxygen. Some of the common medium-Z impurities are metals such as iron, nickel, and copper, and high-Z impurities, such as tungsten, are present in smaller concentrations of 0.1% or less. Despite the relatively small concentration numbers, the aforementioned impurities might make a substantial contribution to radiated power, and also influence both plasma conditions and instruments. A detailed theoretical study of line radiation from impurities that covers a very broad spectral range from less than 1 Å to more than 1000 Å has been accomplished and the results were applied to the LLNL Electron Beam Ion Trap (EBIT) and the Sustained Spheromak Physics Experiment (SSPX) and to the National Spherical Torus Experiment (NSTX) at Princeton. Though low- and medium-Z impurities were also studied, the main emphasis was made on the comprehensive theoretical study of radiation from tungsten using different state-of-the-art atomic structure codes such as Relativistic Many-Body Perturbation Theory (RMBPT). The important component of this research was a comparison of the results from the RMBPT code with other codes such as the Multiconfigurational Hartree–Fock developed by Cowan (COWAN code) and the Multiconfiguration Relativistic Hebrew University Lawrence Atomic Code (HULLAC code), and estimation of accuracy of calculations. We also have studied dielectronic recombination, an important recombination process for fusion plasma, for variety of highly and low charged tungsten ions using COWAN and HULLAC codes. Accurate DR rate coefficients are needed for

Medium-energy ion reflection from solids

CERN Document Server

Mashkova, ES

1985-01-01

``Medium-Energy Ion Reflection from Solids'' analyses the results of experimental, theoretical and computer investigations on the process of scattering of ions by solid surfaces. Surface scattering is a relatively young and rapidly developing branch of the physics of atomic collisions and the literature on this subject has rapidly grown.As the first monograph devoted specifically to surface scattering of ions, this book is directed at scientists involved in ion-solid interaction studies.

Ion acoustic waves in one- and two-negative ion species plasmas

International Nuclear Information System (INIS)

Ichiki, Ryuta; Shindo, Masako; Yoshimura, Shinji; Watanabe, Tsuguhiro; Kawai, Yoshinobu

2001-01-01

Ion acoustic waves in multi-ion plasmas including two negative ion species are investigated both numerically and experimentally. Numerically, the kinetic dispersion relation in two-negative ion plasmas is investigated. There are three modes of the ion acoustic waves in two-negative ion plasmas. In an Ar + -F - -SF 6 - plasma, only one of the three modes is dominant, regardless of the values of the electron and the ion temperatures. In a Xe + -F - -SF 6 - plasma, on the other hand, two modes can be important for a certain range of the electron-ion temperature ratio. The results also imply the possibility of the coexistence of the fast mode and the slow mode in one-negative ion plasmas. Experimentally, ion acoustic waves are observed in an Ar + -F - -SF 6 - plasma and are found to show a mode transition that agrees with the theoretical prediction for one of the three ion acoustic modes

Simple Ion Transfer at Liquid|Liquid Interfaces

Directory of Open Access Journals (Sweden)

L. J. Sanchez Vallejo

2012-01-01

Full Text Available The main aspects related to the charge transfer reactions occurring at the interface between two immiscible electrolyte solutions (ITIES are described. The particular topics to be discussed involve simple ion transfer. Focus is given on theoretical approaches, numerical simulations, and experimental methodologies. Concerning the theoretical procedures, different computational simulations related to simple ion transfer are reviewed. The main conclusions drawn from the most accepted models are described and analyzed in regard to their relevance for explaining different aspects of ion transfer. We describe numerical simulations implementing different approaches for solving the differential equations associated with the mass transport and charge transfer. These numerical simulations are correlated with selected experimental results; their usefulness in designing new experiments is summarized. Finally, many practical applications can be envisaged regarding the determination of physicochemical properties, electroanalysis, drug lipophilicity, and phase-transfer catalysis.

Extended ion energetics data base for mass spectrometric characterization of energy related pollutants. Final report

International Nuclear Information System (INIS)

Parr, A.C.

1983-01-01

This project funded research at NBS from September, 1982 until November, 1983 and represented a continuation of an effort in precision ion thermochemistry measurements and calculations. The effort was divided into two main areas: laboratory effort using threshold photoelectron-photoion coincidence spectroscopy and a theoretical effort in ion energetics estimation schemes

Molecular ions, Rydberg spectroscopy and dynamics

International Nuclear Information System (INIS)

Jungen, Ch.

2015-01-01

Ion spectroscopy, Rydberg spectroscopy and molecular dynamics are closely related subjects. Multichannel quantum defect theory is a theoretical approach which draws on this close relationship and thereby becomes a powerful tool for the study of systems consisting of a positively charged molecular ion core interacting with an electron which may be loosely bound or freely scattering

Molecular ions, Rydberg spectroscopy and dynamics

Energy Technology Data Exchange (ETDEWEB)

Jungen, Ch. [Laboratoire Aimé Cotton, Université de Paris-Sud, 91405 Orsay (France)

2015-01-22

Ion spectroscopy, Rydberg spectroscopy and molecular dynamics are closely related subjects. Multichannel quantum defect theory is a theoretical approach which draws on this close relationship and thereby becomes a powerful tool for the study of systems consisting of a positively charged molecular ion core interacting with an electron which may be loosely bound or freely scattering.

Theoretical isotopic fractionation between structural boron in carbonates and aqueous boric acid and borate ion

Science.gov (United States)

Balan, Etienne; Noireaux, Johanna; Mavromatis, Vasileios; Saldi, Giuseppe D.; Montouillout, Valérie; Blanchard, Marc; Pietrucci, Fabio; Gervais, Christel; Rustad, James R.; Schott, Jacques; Gaillardet, Jérôme

2018-02-01

The 11B/10B ratio in calcite and aragonite is an important proxy of oceanic water pH. However, the physico-chemical mechanisms underpinning this approach are still poorly known. In the present study, we theoretically determine the equilibrium isotopic fractionation properties of structural boron species in calcium carbonates, BO33-, BO2(OH)2- and B(OH)4- anions substituted for carbonate groups, as well as those of B(OH)4- and B(OH)3 species in vacuum. Significant variability of equilibrium isotopic fractionation properties is observed among these structural species which is related to their contrasted coordination state, Bsbnd O bond lengths and atomic-scale environment. The isotopic composition of structural boron does not only depend on its coordination number but also on its medium range environment, i.e. farther than its first coordination shell. The isotopic fractionation between aqueous species and their counterparts in vacuum are assessed using previous investigations based on similar quantum-mechanical modeling approaches. At 300 K, the equilibrium isotope composition of structural trigonal species is 7-15‰ lighter than that of aqueous boric acid molecules, whereas substituted tetrahedral borate ions are heavier than their aqueous counterparts by 10-13‰. Although significant uncertainties are known to affect the theoretical prediction of fractionation factors between solids and solutions, the usually assumed lack of isotopic fractionation during borate incorporation in carbonates is challenged by these theoretical results. The present theoretical equilibrium fractionation factors between structural boron and aqueous species differ from those inferred from experiments which may indicate that isotopic equilibrium, unlike chemical equilibrium, was not reached in most experiments. Further research into the isotopic fractionation processes at the interface between calcium carbonates and aqueous solution as well as long duration experiments aimed at

Resonance cones below the ion cyclotron frequency: theory and experiment

International Nuclear Information System (INIS)

Bellan, P.

1976-03-01

The resonance cones existing below the ion cyclotron frequency, ω/sub c/sub i//, are shown, theoretically and experimentally, to be the asymptotes of hyperbolic constant-phase surfaces of low-frequency ion acoustic waves. Above ω/sub c/sub i// the surfaces transform into ellipses that are related to the electrostatic ion cyclotron waves and ion acoustic waves

Improvements in and relating to ion-exchange

International Nuclear Information System (INIS)

Heal, H.G.

1975-01-01

It has been found that the relatively expensive ion exchange materials normally used can be extensively replaced by relatively inexpensive material comprised of long-weathered basalt. This has been found to effect rapid and efficient ion exchange with a capacity comparable with, and in some cases greater than, the usual artificial materials. The basalt should contain at least 50% by weight of particles of size below 3cm mesh. Olivine basalt has proved particularly effective. Examples given include removal of Cu and Co, application to water softening, and to the removal of 137 Cs from milk. Other applications mentioned include removal of Ca, 90 Sr, Pb, Zn, Hg, Ni, and Cr, extraction of metal ions from seawater, purification of industrial effluents, etc. (U.K.)

Role of information theoretic uncertainty relations in quantum theory

International Nuclear Information System (INIS)

Jizba, Petr; Dunningham, Jacob A.; Joo, Jaewoo

2015-01-01

Uncertainty relations based on information theory for both discrete and continuous distribution functions are briefly reviewed. We extend these results to account for (differential) Rényi entropy and its related entropy power. This allows us to find a new class of information-theoretic uncertainty relations (ITURs). The potency of such uncertainty relations in quantum mechanics is illustrated with a simple two-energy-level model where they outperform both the usual Robertson–Schrödinger uncertainty relation and Shannon entropy based uncertainty relation. In the continuous case the ensuing entropy power uncertainty relations are discussed in the context of heavy tailed wave functions and Schrödinger cat states. Again, improvement over both the Robertson–Schrödinger uncertainty principle and Shannon ITUR is demonstrated in these cases. Further salient issues such as the proof of a generalized entropy power inequality and a geometric picture of information-theoretic uncertainty relations are also discussed

Role of information theoretic uncertainty relations in quantum theory

Energy Technology Data Exchange (ETDEWEB)

Jizba, Petr, E-mail: p.jizba@fjfi.cvut.cz [FNSPE, Czech Technical University in Prague, Břehová 7, 115 19 Praha 1 (Czech Republic); ITP, Freie Universität Berlin, Arnimallee 14, D-14195 Berlin (Germany); Dunningham, Jacob A., E-mail: J.Dunningham@sussex.ac.uk [Department of Physics and Astronomy, University of Sussex, Falmer, Brighton, BN1 9QH (United Kingdom); Joo, Jaewoo, E-mail: j.joo@surrey.ac.uk [Advanced Technology Institute and Department of Physics, University of Surrey, Guildford, GU2 7XH (United Kingdom)

2015-04-15

Uncertainty relations based on information theory for both discrete and continuous distribution functions are briefly reviewed. We extend these results to account for (differential) Rényi entropy and its related entropy power. This allows us to find a new class of information-theoretic uncertainty relations (ITURs). The potency of such uncertainty relations in quantum mechanics is illustrated with a simple two-energy-level model where they outperform both the usual Robertson–Schrödinger uncertainty relation and Shannon entropy based uncertainty relation. In the continuous case the ensuing entropy power uncertainty relations are discussed in the context of heavy tailed wave functions and Schrödinger cat states. Again, improvement over both the Robertson–Schrödinger uncertainty principle and Shannon ITUR is demonstrated in these cases. Further salient issues such as the proof of a generalized entropy power inequality and a geometric picture of information-theoretic uncertainty relations are also discussed.

Double Exponential Relativity Theory Coupled Theoretically with Quantum Theory?

International Nuclear Information System (INIS)

Montero Garcia, Jose de la Luz; Novoa Blanco, Jesus Francisco

2007-01-01

Here the problem of special relativity is analyzed into the context of a new theoretical formulation: the Double Exponential Theory of Special Relativity with respect to which the current Special or Restricted Theory of Relativity (STR) turns to be a particular case only

A theoretical model of a liquid metal ion source

International Nuclear Information System (INIS)

Kingham, D.R.; Swanson, L.W.

1984-01-01

A model of liquid metal ion source (LMIS) operation has been developed which gives a consistent picture of three different aspects of LMI sources: (i) the shape and size of the ion emitting region; (ii) the mechanism of ion formation; (iii) properties of the ion beam such as angular intensity and energy spread. It was found that the emitting region takes the shape of a jet-like protrusion on the end of a Taylor cone with ion emission from an area only a few tens of A across, in agreement with recent TEM pictures by Sudraud. This is consistent with ion formation predominantly by field evaporation. Calculated angular intensities and current-voltage characteristics based on our fluid dynamic jet-like protrusion model agree well with experiment. The formation of doubly charged ions is attributed to post-ionization of field evaporated singly charged ions and an apex field strength of about 2.0 V A -1 was calculated for a Ga source. The ion energy spread is mainly due to space charge effects, it is known to be reduced for doubly charged ions in agreement with this post-ionization mechanism. (author)

Theoretical Investigation of Vibrational Frequencies for Tetrabromopalladate (II Ion

Directory of Open Access Journals (Sweden)

Metin Bilge

2010-11-01

Full Text Available The normal mode frequencies and corresponding vibrational assignments of tetrabromopalladate (II ion ([Pd(Br4]2- have been theoretically examined by means of standard quantum chemical technique. All normal modes have been successfully assigned utilizing the D4h symmetry of [Pd(Br4]2-. Calculation has been performed at the Becke-3-Lee-Yang-Parr (B3LYP density functional method using the Lanl2dz basis set. Infrared intensities and Raman activities have also been calculated and reported. Theoretical results have been successfully compared against available experimental data. Key words: [Pd(Br4]2-, DFT, vibrational assignment, normal mode frequency, Lanl2dz Tetrabromopaladyum (II İyonunun Titreşim Frekanslarının Teorik Olarak İncelenmesi Tetrabromopaladyum (II iyonunun ([Pd(Br4]2- normal mod frekansları ve bunlara karşılık gelen titreşim işaretlemeleri standart kuantum kimyasal teknik yardımıyla teorik olarak incelenmektedir. Tüm normal modlar [Pd(Br4]2- iyonunun D4h nokta grubu kullanılarak başarılı bir şekilde işaretlenmiştir. Hesaplama Lanl2dz baz seti kullanılarak B3LYP (Becke-3-Lee-Yang-Parr yoğunluk fonksiyonel metoduyla gerçekleştirilmiş ve infrared intensiteleri ile Raman aktiviteleri de hesaplanmıştır. Teorik sonuçlar mevcut deneysel değerler ile başarılı bir şekilde karşılaştırılmaktadır. Anahtar kelimeler: [Pd(Br4]2-, DFT, titreşim işaretlemesi, normal mod frekansı, Lanl2dz

Theoretical study of the electronic structure of different states of the KRb+ molecular ion

International Nuclear Information System (INIS)

Korek, M.; Younis, G.

2000-01-01

Full text.The molecular activities in ultra-cold alkali atom trapping stimulate theoretical developments to compute relevant adiabatic potential curves, especially in the framework of the pseudopotential methods. For these methods the molecular ion KRb+ is treated as system with one active electron moving in a field of two ionic cores, where core valence electron interactions are presented by an effective potential. Potential energies have been calculated over a wide range of internuclear distance (5.0-60a o ) for the lowest states of symmetry 2 Σ, 2 Π, 2 Δ and Ω for the molecular ion KRb+. To avoid an over estimation of the dissociation energy the perturbative treatment is replaced by an l-dependent core-polarization potential of the Foucrault et al. For the one valence electron of the two considered atoms, we recalculated the polarization potential cut-off parameters r k l , and r R b l by taking l=0,1,2 and r i 2 =r i 3 . Molecular orbital for the molecular ion KRb+ were derived from Self Consistent Field calculations (SCF), and full valence Configuration Interaction (IC) calculations were performed. Extensive tables of energy values versus internuclear distance are displayed and molecular spectroscopic constants have been derived, for the first time, for the bound states with regular shape

Dissociation of the Phenylarsane Molecular Ion: A Theoretical Study

Energy Technology Data Exchange (ETDEWEB)

Kim, Sun Young; Choe, Joong Chul [Dongguk University, Seoul (Korea, Republic of)

2010-09-15

The potential energy surfaces (PESs) for the primary and secondary dissociations of the phenylarsane molecular ion (1a) were determined from the quantum chemical calculations using the G3(MP2)//B3LYP method. Several pathways for the loss of H· were determined and occurred though rearrangements as well as through direct bond cleavages. The kinetic analysis based on the PES for the primary dissociation showed that the loss of H{sub 2} was more favored than the loss of H·, but the H· loss competed with the H{sub 2} loss at high energies. The bicyclic isomer, 7-arsa-norcaradiene radical cation, was formed through the 1,2 shift of an α-H of 1a and played an important role as an intermediate for the further rearrangements in the loss of H· and the losses of As· and AsH. The reaction pathways for the formation of the major products in the secondary dissociations of [M-H]{sup +} and [M-H{sub 2}]{sup +·} were examined. The theoretical prediction explained the previous experimental results for the dissociation at high energies but not the dissociation at low energies.

Recoil ions

International Nuclear Information System (INIS)

Cocke, C.L.; Olson, R.E.

1991-01-01

The collision of a fast moving heavy ion with a neutral atomic target can produce very highly charged but slowly moving target ions. This article reviews experimental and theoretical work on the production and use of recoil ions beyond the second ionization state by beams with specific energies above 0.5 MeV/amu. A brief historical survey is followed by a discussion of theoretical approaches to the problem of the removal of many electrons from a neutral target by a rapid, multiply charged projectile. A discussion of experimental techniques and results for total and differential cross sections for multiple ionization of atomic and molecular targets is given. Measurements of recoil energy are discussed. The uses of recoil ions for in situ spectroscopy of multiply charged ions, for external beams of slow, highly charged ions and in ion traps are reviewed. Some possible future opportunities are discussed. (orig.)

Experimental and theoretical study of bound and quasibound states of Ce{sup -}

Energy Technology Data Exchange (ETDEWEB)

Walter, C. W.; Gibson, N. D.; Li, Y.-G.; Matyas, D. J.; Alton, R. M.; Lou, S. E.; Field, R. L. III; Hanstorp, D.; Pan, Lin; Beck, Donald R. [Department of Physics and Astronomy, Denison University, Granville, Ohio 43023 (United States); Department of Physics, University of Gothenburg, SE-412 96 Gothenburg (Sweden); Department of Physics, Michigan Technological University, Houghton, Michigan 49931 (United States)

2011-09-15

The negative ion of cerium is investigated experimentally with tunable infrared laser photodetachment spectroscopy and theoretically with relativistic configuration interaction in the continuum formalism. The relative cross section for neutral atom production is measured with a crossed ion-beam-laser-beam apparatus over the photon energy range of 0.54-0.75 eV. A rich resonance spectrum is revealed near the threshold with, at least, 12 peaks observed due to transitions from bound states of Ce{sup -} to either bound or quasibound excited states of the negative ion. Theoretical calculations of the photodetachment cross sections enable identification of the transitions responsible for the measured peaks. Two of the peaks are due to electric dipole-allowed bound-bound transitions in Ce{sup -}, making cerium only the second atomic negative ion that has been demonstrated to support multiple bound states of opposite parity. In addition, combining the experimental data with the theoretical analysis determines the electron affinity of cerium to be 0.628(10) eV and the fine structure splitting of the ground state of Ce{sup -} ({sup 4} H{sub 7/2}-{sup 4} H{sub 9/2}) to be 0.097 75(4) eV.

Energies of rare-earth ion states relative to host bands in optical materials from electron photoemission spectroscopy

Science.gov (United States)

Thiel, Charles Warren

There are a vast number of applications for rare-earth-activated materials and much of today's cutting-edge optical technology and emerging innovations are enabled by their unique properties. In many of these applications, interactions between the rare-earth ion and the host material's electronic states can enhance or inhibit performance and provide mechanisms for manipulating the optical properties. Continued advances in these technologies require knowledge of the relative energies of rare-earth and crystal band states so that properties of available materials may be fully understood and new materials may be logically developed. Conventional and resonant electron photoemission techniques were used to measure 4f electron and valence band binding energies in important optical materials, including YAG, YAlO3, and LiYF4. The photoemission spectra were theoretically modeled and analyzed to accurately determine relative energies. By combining these energies with ultraviolet spectroscopy, binding energies of excited 4fN-15d and 4fN+1 states were determined. While the 4fN ground-state energies vary considerably between different trivalent ions and lie near or below the top of the valence band in optical materials, the lowest 4f N-15d states have similar energies and are near the bottom of the conduction band. As an example for YAG, the Tb3+ 4f N ground state is in the band gap at 0.7 eV above the valence band while the Lu3+ ground state is 4.7 eV below the valence band maximum; however, the lowest 4fN-15d states are 2.2 eV below the conduction band for both ions. We found that a simple model accurately describes the binding energies of the 4fN, 4fN-1 5d, and 4fN+1 states. The model's success across the entire rare-earth series indicates that measurements on two different ions in a host are sufficient to predict the energies of all rare-earth ions in that host. This information provides new insight into electron transfer transitions, luminescence quenching, and valence

Interaction of d(10) metal ions with thioether ligands: a thermodynamic and theoretical study.

Science.gov (United States)

Melchior, Andrea; Peralta, Elena; Valiente, Manuel; Tavagnacco, Claudio; Endrizzi, Francesco; Tolazzi, Marilena

2013-05-07

Thermodynamic parameters of complex formation between d(10) metal ions, such as Zn(2+), Cd(2+), Hg(2+) and Ag(+), and the macrocyclic thioether 1,4,7-trithiacyclononane ([9]AneS3) or the monodentate diethylsulfide (Et(2)S), in acetonitrile (AN) at 298.15 K, were studied by a systematic methodology including potentiometry, calorimetry and polarography. [9]AneS3 is able to form complexes with all the target cations, Et(2)S only reacts with Hg(2+) and Ag(+). Mononuclear ML(j) (j = 1, 2) complexes are formed with all the metal ions investigated, where the affinity order is Hg(2+) > Ag(+) > Cd(2+) ≈ Zn(2+) when L = [9]AneS3 and Hg(2+) > Ag(+) when L = Et(2)S. Enthalpy and entropy values are generally negative, as a consequence of both metal ion interactions with neutral ligands, the reagents' loss of degrees of freedom and the release of solvating molecules. DFT calculations on the complexes formed with [9]AneS3 in vacuum and in AN are also carried out, to correlate experimental and theoretical thermodynamic values and to highlight the interplay between the direct metal-thioether interaction and the solvation effects. Trends obtained for the stability constants and enthalpies of the 1 : 1 and 1 : 2 complexes in solvent well reproduce the experimental ones for all the divalent metal ion complexes with [9]AneS3 and indicate the release of 3 AN molecules in the formation of each consecutive octahedral complex. In addition, calculated and experimental values for Ag(+) complex formation in solution suggest that in AgL(2) species [9]AneS3 ligands are not both tridentate.

Theoretical Investigation of the Effect of the Rare Gas Matrices on the Vibrational Spectra of Solvated Molecular Ions: Cu+CO

Czech Academy of Sciences Publication Activity Database

Bludský, Ota; Šilhan, Martin; Nachtigall, Petr

2002-01-01

Roč. 117, č. 20 (2002), s. 9298-9305 ISSN 0021-9606 R&D Projects: GA MŠk LN00A032 Institutional research plan: CEZ:AV0Z4040901 Keywords : vibrational spectra * solvated molecular ions Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.998, year: 2002

Evolution of L -shell photoabsorption of the molecular-ion series Si Hn + (n =1 ,2 ,3 ): Experimental and theoretical studies

Science.gov (United States)

Kennedy, E. T.; Mosnier, J.-P.; van Kampen, P.; Bizau, J.-M.; Cubaynes, D.; Guilbaud, S.; Carniato, S.; Puglisi, A.; Sisourat, N.

2018-04-01

We report on complementary laboratory and theoretical investigations of the 2 p photoexcitation cross sections for the molecular-ion series Si Hn + (n =1 ,2 ,3 ) near the L -shell threshold. The experiments used an electron cyclotron resonance (ECR) plasma molecular-ion source coupled with monochromatized synchrotron radiation in a merged-beam configuration. For all three molecular ions, the S i2 + decay channel appeared dominant, suggesting similar electronic and nuclear relaxation patterns involving resonant Auger and dissociation processes, respectively. The total yields of the S i2 + products were recorded and put on absolute cross-section scales by comparison with the spectrum of the S i+ parent atomic ion. Interpretation of the experimental spectra ensued from a comparison with total photoabsorption cross-sectional profiles calculated using ab initio configuration interaction theoretical methods inclusive of vibrational dynamics and contributions from inner-shell excitations in both ground and valence-excited electronic states. The spectra, while broadly similar for all three molecular ions, moved towards lower energies as the number of screening hydrogen atoms increased from one to three. They featured a wide and shallow region below ˜107 eV due to 2 p →σ* transitions to dissociative states, and intense and broadened peaks in the ˜107 -113 -eV region merging into sharp Rydberg series due to 2 p →n δ ,n π transitions converging on the LII ,III limits above ˜113 eV . This overall spectral shape is broadly replicated by theory in each case, but the level of agreement does not extend to individual resonance structures. In addition to the fundamental interest, the work should also prove useful for the understanding and modeling of astronomical and laboratory plasma sources where silicon hydride molecular species play significant roles.

Theoretical physics

International Nuclear Information System (INIS)

Anon.

1980-01-01

The nuclear theory program deals with the properties of nuclei and with the reactions and interactions between nuclei and a variety of projectiles. The main areas of concentration are: heavy-ion direct reactions at nonrelativistic energies; nuclear shell theory and nuclear structure; nuclear matter and nuclear forces;intermediate-energy physics and pion-nucleus interactions; and high-energy collisions of heavy ions. Recent progress and plans for future work in these five main areas of concentration and a summary of other theoretical studies currently in progress or recently completed are presented

Fully kinetic simulation of ion acoustic and dust-ion acoustic waves

International Nuclear Information System (INIS)

Hosseini Jenab, S. M.; Kourakis, I.; Abbasi, H.

2011-01-01

A series of numerical simulations is presented, based on a recurrence-free Vlasov kinetic model using kinetic phase point trajectories. All plasma components are modeled kinetically via a Vlasov evolution equation, then coupled through Poisson's equation. The dynamics of ion acoustic waves in an electron-ion and in a dusty (electron-ion-dust) plasma configuration are investigated, focusing on wave decay due to Landau damping and, in particular, on the parametric dependence of the damping rate on the dust concentration and on the electron-to-ion temperature ratio. In the absence of dust, the occurrence of damping was observed, as expected, and its dependence to the relative magnitude of the electron vs ion temperature(s) was investigated. When present, the dust component influences the charge balance, enabling dust-ion acoustic waves to survive Landau damping even in the extreme regime where T e ≅ T i . The Landau damping rate is shown to be minimized for a strong dust concentration or/and for a high value of the electron-to-ion temperature ratio. Our results confirm earlier theoretical considerations and contribute to the interpretation of experimental observations of dust-ion acoustic wave characteristics.

Quantum electrodynamical effects in heavy highly-charged ions

International Nuclear Information System (INIS)

Yerokhin, V.A.; Artemyev, A.N.; Indelicato, P.; Shabaev, V.M.

2003-01-01

The present status of theoretical calculations of QED effects in highly charged ions is reviewed for several important cases: the Lamb shift in heavy H-like ions, the 2p 1/2 -2s transition energy in heavy Li-like ions, and the bound-electron g factor in H-like ions. Theoretical predictions are compared with experimental results. Special attention is paid to the discussion of uncertainties of theoretical predictions

Ion current prediction model considering columnar recombination in alpha radioactivity measurement using ionized air transportation

International Nuclear Information System (INIS)

Naito, Susumu; Hirata, Yosuke; Izumi, Mikio; Sano, Akira; Miyamoto, Yasuaki; Aoyama, Yoshio; Yamaguchi, Hiromi

2007-01-01

We present a reinforced ion current prediction model in alpha radioactivity measurement using ionized air transportation. Although our previous model explained the qualitative trend of the measured ion current values, the absolute values of the theoretical curves were about two times as large as the measured values. In order to accurately predict the measured values, we reinforced our model by considering columnar recombination and turbulent diffusion, which affects columnar recombination. Our new model explained the considerable ion loss in the early stage of ion diffusion and narrowed the gap between the theoretical and measured values. The model also predicted suppression of ion loss due to columnar recombination by spraying a high-speed air flow near a contaminated surface. This suppression was experimentally investigated and confirmed. In conclusion, we quantitatively clarified the theoretical relation between alpha radioactivity and ion current in laminar flow and turbulent pipe flow. (author)

On the relation of the theoretical foundations of quantum theory and general relativity theory

International Nuclear Information System (INIS)

Kober, Martin

2010-01-01

The specific content of the present thesis is presented in the following way. First the most important contents of quantum theory and general relativity theory are presented. In connection with the general relativity theory the mathematical property of the diffeomorphism invariance plays the deciding role, while concerning the quantum theory starting from the Copenhagen interpretation first the measurement problem is treated, before basing on the analysis of concrete phenomena and the mathematical apparatus of quantum theory the nonlocality is brought into focus as an important property. This means that both theories suggest a relationalistic view of the nature of the space. This analysis of the theoretical foundations of quantum theory and general relativity theory in relation to the nature of the space obtains only under inclusion of Kant's philosophy and his analysis of the terms space and time as fundamental forms of perception its full persuasive power. Then von Weizsaeckers quantum theory of the ur-alternatives is presented. Finally attempts are made to apply the obtained knowledge to the question of the quantum-theoretical formulation of general relativity theory.

CDW-EIS theoretical calculations of projectile deflection for single ionization in highly charged ion-atom collisions

International Nuclear Information System (INIS)

Rodriguez, V.D.

2003-01-01

We present continuum distorted wave-eikonal initial state (CDW-EIS) theoretical calculations for the projectile deflection in single ionization of helium by heavy-ion impact as a function of ionized electron energies. These calculations account for the helium passive electron shielding in the internuclear interaction improving standard CDW-EIS theory. The results are compared with recent experimental results by impact of 100 MeV/amu C 6+ and 3.6 MeV/amu Au 53+ . For highly charged projectiles there is a poor quantitative agreement between theory and experiment. However, this refined calculation does share some qualitative features with the data. In particular the variation of the effective charge of the residual He + ion from Z eff =1 to Z eff =2 when going from small to large projectile scattering angles is able to represent a shoulder observed in the double differential cross sections. Important qualitative differences are observed at the level of triple differential cross sections

Ion bombardment modification of surfaces

International Nuclear Information System (INIS)

Auciello, O.

1984-01-01

Ion bombardment-induced modification of surfaces may be considered one of the significant scientific and technological developments of the last two decades. The understanding acquired concerning the underlying mechanisms of several phenomena occurring during ion-surface interactions has led to applications within different modern technologies. These include microelectronics, surface acoustical and optical technologies, solar energy conversion, thin film technology, ion implantation metallurgy, nuclear track technology, thermonuclear fusion, vacuum technology, cold welding technology, biomedicine (implantology). It has become clear that information on many relevant advances, regarding ion bombardment modification of surfaces is dispersed among journals involving fields sometimes not clearly related. This may result, in some cases, in a loss of the type of interdisciplinary exchange of ideas, which has proved to be so fruitful for the advancement of science and technology. This book has been planned in an attempt to collect at least some of today's relevant information about the experimental and theoretical knowledge related to surface modification and its application to technology. (Auth.)

Studies on the matched potential method for determining the selectivity coefficients of ion-selective electrodes based on neutral ionophores: experimental and theoretical verification.

Science.gov (United States)

Tohda, K; Dragoe, D; Shibata, M; Umezawa, Y

2001-06-01

dependent, the determined selectivity should be used not as "coefficient", but as "factor". Contrary to such a criticism, it was shown theoretically and experimentally that the values of the MPM selectivity coefficient for ions with equal charge (ZA = ZB) never vary with the primary and interfering ion concentrations in the sample solutions even when non-Nernstian responses are observed. This paper is the first comprehensive demonstration of an electrostatics-based theory for the MPM and should be of great value theoretically and experimentally for the audience of the fundamental and applied ISE researchers.

Constructing theoretical M-shell spectra for Mg-like Au through Cl-like Au ions in gold plasma diagnostics

International Nuclear Information System (INIS)

Hamasha, Safeia; Alshaiub, Rania

2012-01-01

The theoretical atomic structure and spectra data for electric dipole transitions in six gold ions (Au 67+ through Au 62+ ) are produced using the flexible atomic code (FAC). The produced data contain energy levels, radiative transition rates and oscillator strengths with Δn≠0 (n = 3 → 4, 5, 6, 7). All M-shell strong lines for the six gold ions are also identified. The produced data and constructed spectra revealed the presence of a wide variety of ionization stages of Au with several blended spectral lines in the spectral range (1.7-4.4 Å). Calculated energy levels are compared against published values, which were calculated using the multi-reference many body perturbation theory that includes higher order quantum electrodynamics corrections effects. Favorable agreement with <0.26% difference was observed.

Theoretical and experimental investigation of carnosine and its oxygenated adducts. The reaction with the nickel ion

Energy Technology Data Exchange (ETDEWEB)

Pavlos, Dimitrios; Petropouleas, Panayiotis; Hatzipanayioti, Despina, E-mail: stambaki@chem.uoa.gr

2015-11-05

Highlights: • Study on models of neutral cations and anions of carnosine at the B3LYP/TZVP level. • The {sup 1}O{sub 2}-adducts of these models resulted in oxygenated carnosine. • Theoretical parameters correlated to experimental results for carn and carn-H{sub 2}O{sub 2}. • Theoretical models of Nickel-carn complexes have been investigated. • Isolation and characterization of the solid [Ni(carn){sub 2}(H{sub 2}O){sub 5}] have been performed. - Abstract: DFT theoretical calculations at B3LYP/TZVP or LANL2DZ level of theory, for neutral, zwitterions, protonated and anionic carnosine, were performed. Energies, the structural and spectroscopic parameters were calculated in the gas phase and aqueous medium. Additional H-bonds stabilize the ionized forms of carnosine, creating “nests” into which metal ions or bio-molecules may be sheltered. Based on Fukui functions, the reactivity of the abovementioned forms of carnosine, with {sup 1}O{sub 2}, may lead to oxygenated species. The theoretical spectroscopic parameters have been correlated to our experimental results. The effect of H{sub 2}O{sub 2} and the electrochemistry of aqueous carnosine solutions were examined. Theoretical models containing Ni(II), carnosine and water were constructed. In the isolated mauve solid, formulated [Ni(carn){sub 2}(H{sub 2}O){sub 5}], the COO−, N{sub π} and/or NH{sub 2} were bonded. When H{sub 2}O{sub 2} was added, the imidazole NMR signals disappeared. A redox couple clearly indicates one electron process, the electron coming from either the oxidation of imidazole ring or the nickel(II)/Ni(III) couple.

Study in the plasma with non-equilibrium ionization state by relative intensities in K-spectra of multicharged ions

International Nuclear Information System (INIS)

Bojko, V.A.; Skobelev, I.Yu.; Faenov, A.Ya.

1984-01-01

The pressure of the K-spectra formation of multicharge h-, He-, Li-like ions in a plasma with an arbitrary ionization state are considered. It is shown that comparison of experimental and theoretical data on the intensities of f a number of spectral lines belonging to such ions allows one to determine both the plasma electron temperature and ion distribution versus the ionization degre ees. The proposed method of plasma diagnostics is used for measuring parameters of the expanding laser-produced magnesium plasme

Mathematica® for Theoretical Physics Electrodynamics, Quantum Mechanics, General Relativity and Fractals

CERN Document Server

Baumann, Gerd

2005-01-01

Mathematica for Theoretical Physics: Electrodynamics, Quantum Mechanics, General Relativity, and Fractals This second edition of Baumann's Mathematica® in Theoretical Physics shows readers how to solve physical problems and deal with their underlying theoretical concepts while using Mathematica® to derive numeric and symbolic solutions. Each example and calculation can be evaluated by the reader, and the reader can change the example calculations and adopt the given code to related or similar problems. The second edition has been completely revised and expanded into two volumes: The first volume covers classical mechanics and nonlinear dynamics. Both topics are the basis of a regular mechanics course. The second volume covers electrodynamics, quantum mechanics, relativity, and fractals and fractional calculus. New examples have been added and the representation has been reworked to provide a more interactive problem-solving presentation. This book can be used as a textbook or as a reference work, by student...

Beam losses in heavy ion drivers

CERN Document Server

Mustafin, E R; Hofmann, I; Spiller, P J

2002-01-01

While beam loss issues have hardly been considered in detail for heavy ion fusion scenarios, recent heavy ion machine developments in different labs (European Organization for Nuclear Research (CERN), Gesellschaft fur Schwerionenforschung (GSI), Institute for Theoretical and Experimental Physics (ITEP), Relativistic Heavy-Ion Collider (RHIC)) have shown the great importance of beam current limitations due to ion losses. Two aspects of beam losses in heavy ion accelerators are theoretically considered: (1) secondary neutron production due to lost ions, and (2) vacuum pressure instability due to charge exchange losses. Calculations are compared and found to be in good agreement with measured data. The application to a Heavy-Ion Driven Inertial Fusion (HIDIF) scenario is discussed. 12 Refs.

Recent theoretical studies of slow collisions between plasma impurity ions and H or He atoms

Energy Technology Data Exchange (ETDEWEB)

Fritsch, W. [Hahn-Meitner-Institut Berlin GmbH (Germany). Bereich Theoretische Physik; Tawara, H.

1997-01-01

We review recent progress in theoretical studies of slow collisions between light plasma impurity ions and atomic hydrogen or helium. We start with a brief overview of theory work that has been done by various groups in the past. We then proceed to discuss work that is published in the last two years. For the systems of Be{sup 2+}-He, Be{sup 4+}-He and C{sup 5+}-He we present yet unpublished work of our own. All of this work broadens our knowledge about systems that are of interest for the fusion community. Some of the new information is found to be at variance with what is known from other sources and hence needs further analysis. (author)

Electron-ion recombination at low energy

International Nuclear Information System (INIS)

Andersen, L.H.

1993-01-01

The work is based on results obtained with a merged-beams experiment. A beam of electronics with a well characterized density and energy distribution was merged with a fast, monoenergetic ion beam. Results have been obtained for radiative recombination and dielectronic recombination at low relative energies (0 to ∼70eV). The obtained energy resolution was improved by about a factor of 30. High vacuum technology was used to suppress interactions with electrons from the environments. The velocity distribution of the electron beam was determined. State-selective dielectronic-recombination measurements were performable. Recombination processes were studied. The theoretical background for radiative recombination and Kramers' theory are reviewed. The quantum mechanical result and its relation to the semiclassical theory is discussed. Radiative recombination was also measured with several different non-bare ions, and the applicability of the semiclassical theory to non-bare ions was investigated. The use of an effective charge is discussed. For dielectronic recombination, the standard theoretical approach in the isolated resonance and independent-processes approximation is debated. The applicability of this method was tested. The theory was able to reproduce most of the experimental data except when the recombination process was sensitive to couplings between different electronic configurations. The influence of external perturbing electrostatic fields is discussed. (AB) (31 refs.)

Development of ion-acoustic double layers through ion-acoustic fluctuations

International Nuclear Information System (INIS)

Sekar, A.N.; Saxena, Y.C.

1985-01-01

Experimental results on the formation of ion acoustic double layers resembling asymmetric ion-holes are presented. In a double plasma device, modified suitably to inject electron beam into the target plasma, modulation of the beam through step potential leads to excitation of ion-acoustic fluctuation. The ion-acoustic fluctuation, growing away from the grids separating source and target plasmas, developed into weak asymmetric ion-acoustic double layer. The observations are in qualitative agreement with theoretical models and computer simulations. (author)

Experimental and theoretical study of the energy loss of C and O in Zn

Energy Technology Data Exchange (ETDEWEB)

Cantero, E. D.; Lantschner, G. H.; Arista, N. R. [Centro Atomico Bariloche and Instituto Balseiro, Comision Nacional de Energia Atomica, 8400 San Carlos de Bariloche (Argentina); Montanari, C. C.; Miraglia, J. E. [Instituto de Astronomia y Fisica del Espacio (CONICET-UBA), Buenos Aires (Argentina); Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires (Argentina); Behar, M.; Fadanelli, R. C. [Instituto de Fisica, Universidade Federal do Rio Grande do Sul, Avenida Bento Goncalves 9500, Porto Alegre-RS (Brazil)

2011-07-15

We present a combined experimental-theoretical study of the energy loss of C and O ions in Zn in the energy range 50-1000 keV/amu. This contribution has a double purpose, experimental and theoretical. On the experimental side, we present stopping power measurements that fill a gap in the literature for these projectile-target combinations and cover an extended energy range, including the stopping maximum. On the theoretical side, we make a quantitative test on the applicability of various theoretical approaches to calculate the energy loss of heavy swift ions in solids. The description is performed using different models for valence and inner-shell electrons: a nonperturbative scattering calculation based on the transport cross section formalism to describe the Zn valence electron contribution, and two different models for the inner-shell contribution: the shellwise local plasma approximation (SLPA) and the convolution approximation for swift particles (CasP). The experimental results indicate that C is the limit for the applicability of the SLPA approach, which previously was successfully applied to projectiles from H to B. We find that this model clearly overestimates the stopping data for O ions. The origin of these discrepancies is related to the perturbative approximation involved in the SLPA. This shortcoming has been solved by using the nonperturbative CasP results to describe the inner-shell contribution, which yields a very good agreement with the experiments for both C and O ions.

Ion mixing and numerical simulation of different ions produced in the ECR ion source

International Nuclear Information System (INIS)

Shirkov, G.D.

1996-01-01

This paper is to continue theoretical investigations and numerical simulations in the physics of ECR ion sources within the CERN program on heavy ion acceleration. The gas (ion) mixing effect in ECR sources is considered here. It is shown that the addition of light ions to the ECR plasma has three different mechanisms to improve highly charged ion production: the increase of confinement time and charge state of highly ions as the result of ion cooling; the concentration of highly charged ions in the central region of the source with high energy and density of electrons; the increase of electron production rate and density of plasma. The numerical simulations of lead ion production in the mixture with different light ions and different heavy and intermediate ions in the mixture with oxygen, are carried out to predict the principal ECR source possibilities for LHC applications. 18 refs., 23 refs

Response of cloud condensation nuclei (>50 nm) to changes in ion-nucleation

DEFF Research Database (Denmark)

Svensmark, Henrik; Enghoff, Martin Andreas Bødker; Pedersen, Jens Olaf Pepke

2013-01-01

In experiments where ultraviolet light produces aerosols from trace amounts of ozone, sulfur dioxide, and water vapor, the relative increase in aerosols produced by ionization by gamma sources is constant from nucleation to diameters larger than 50 nm, appropriate for cloud condensation nuclei....... This result contradicts both ion-free control experiments and also theoretical models that predict a decline in the response at larger particle sizes. This unpredicted experimental finding points to a process not included in current theoretical models, possibly an ion-induced formation of sulfuric acid...

Study of ion cyclotron fluctuations. Application to the measurement of the ion temperature

International Nuclear Information System (INIS)

Lehner, T.

1982-02-01

A diagnostic technique for measuring the ion temperature of tokamak-type plasmas was developed. A theoretical study was made of the form factor associated with the ion cyclotron waves; the influence of Te/Ti on the frequency of the extrema of the dispersion relations was demonstrated. The different effects able to modify the spectral density (in particular the drift velocity and the impurities) were investigated. The mechanisms of suprathermal excitation of cylotron waves in tokamaks were reviewed together with the various effects stabilizing the spectrum: collisions, shear of the magnetic field lines. The experimental realization of the diagnostic technique is based on Thomson scattering by the electron density fluctuations [fr

Metal ion attachment to the matrix meso-tetrakis(pentafluorophenyl)porphyrin, related matrices and analytes: an experimental and theoretical study.

Science.gov (United States)

van Kampen, Jeroen J A; Luider, Theo M; Ruttink, Paul J A; Burgers, Peter C

2009-11-01

In a previous study [van Kampen et al. Analytical Chemistry 2006; 78: 5403], we found that meso-tetrakis (pentafluorophenyl)porphyrin (F20TPP), in combination with lithium salts, provides an efficient matrix to cationize small molecules by Li+ attachment and that this combination can be successfully applied to the quantitative analysis of drugs, such as antiretroviral compounds using matrix-assisted laser desorption ionization in conjunction with a time-of-flight analyzer (MALDI-TOF). In the present study, we further explore the mechanism of metal ion attachment to F20TPP and analytes by MALDI-FTMS(/MS). To this end, we have studied the interaction of F20TPP and analytes with various mono-, di- and trivalent metal ions (Li+, Na+, K+, Rb+, Cs+, Co2+, Cu2+, Zn2+, Fe2+, Fe3+ and Ga3+). For the alkali cations, we find that F20TPP forms complexes only with Li+ and Na+; in addition, model analyte molecules such as poly(ethyleneglycol)s, mixed with F20TPP and the alkali cations, also only form Li+ and Na+ adducts. This contrasts sharply with the commonly used matrix 2,5-dihydroxybenzoic acid, where analytes are most efficiently cationized by Na+ or K+. Reasons for this difference are delineated. Ab initio calculations on porphyrin itself reveal that even the smallest alkali cation, Li+, does not fit in the porphyrin cavity, but lies on top of it, pushing the 21H and 23 H hydrogen atoms out of and below the plane with concomitant bending of the porphyrin skeleton in the opposite direction, i.e. toward the cation. Thus, the Li+ ion is not effectively sequestered and is in fact exposed and thus accessible for donation to analyte molecules. Interaction of F20TPP with di- and trivalent metal ions leads to protoporphyrin-metal ions, where the metal ion is captured within the protoporphyrin dianion cavity. The most intense signal is obtained when F20TPP is reacted with CuCl2 and then subjected to laser ablation. This method presents an easy general route to study the metal

Scaling relations in elastic scattering cross sections between multiply charged ions and hydrogen

International Nuclear Information System (INIS)

Rodriguez, V.D.

1991-01-01

Differential elastic scattering cross sections of bare ions from hydrogen are calculated using the eikonal approximation. The results satisfy a scaling relation involving the scattering angle, the ion charge and a factor related to the ion mass. A semiclassical explanation in terms of a distant collision hypothesis for small scattering angle is proposed. A unified picture of related scaling rules found in direct processes is discussed. (author)

Ion-ion interaction and energy transfer of 4+ transuranium ions in cerium tetrafluoride

International Nuclear Information System (INIS)

Liu, G.K.; Beitz, J.V.

1990-01-01

Dynamics of excited 5f electron states of the transuranium ions Cm 4+ and Bk 4+ in CeF 4 are compared. Based on time- and wavelength-resolved laser-induced fluorescence, excitation energy transfer processes have been probed. Depending on concentration and electronic energy level structure of the studied 4+ transuranium ion, the dominant energy transfer mechanisms were identified as cross relaxation, exciton-exciton annihilation, and trapping. Energy transfer rates derived from the fitting of the observed fluorescence decays to theoretical models, based on electric multipolar ion-ion interactions, are contrasted with prior studies of 4f states of 3+ lanthanide and 3d states of transition metal ions. 16 refs., 1 tab

Alternative crystal field parameters for rare-earth ions obtained from various techniques: IV. Comparative analysis of crystal field parameters obtained from inelastic neutron scattering and related studies of RE ions (RE = Er{sup 3+}, Ho{sup 3+}, Nd{sup 3+}, Pr{sup 3+}) in REBa{sub 2}Cu{sub 3}O{sub 7-{delta}} high-T{sub c} superconductors

Energy Technology Data Exchange (ETDEWEB)

Rudowicz, Czeslaw, E-mail: crudowicz@zut.edu.pl [Modeling in Spectroscopy Group, Institute of Physics, Faculty of Mechanical Engineering and Mechatronics, West Pomeranian University of Technology, Szczecin, al. Piastow 48, 70-311 Szczecin (Poland); Lewandowska, Monika [Modeling in Spectroscopy Group, Institute of Physics, Faculty of Mechanical Engineering and Mechatronics, West Pomeranian University of Technology, Szczecin, al. Piastow 48, 70-311 Szczecin (Poland)

2012-11-05

Highlights: Black-Right-Pointing-Pointer Orthorhombic crystal field parameters (CFPs) for RE3{sup +} in REBa{sub 2}Cu{sub 3}O{sub 7-{delta}} studied. Black-Right-Pointing-Pointer Comparative analysis of CFP sets for Er{sup 3+}, Ho{sup 3+}, Nd{sup 3+}, and Pr{sup 3+} ions performed. Black-Right-Pointing-Pointer Aspects related to CFP standardization considered. Black-Right-Pointing-Pointer Several problems identified due to comparative CFP analysis clarified. Black-Right-Pointing-Pointer Correct comparison of different CFP sets must be based on standardization. - Abstract: This is fourth paper in a series devoted to reanalysis of the non-standard and standard crystal-field (CF) parameter (CFP) sets obtained from various experimental techniques and theoretical models for trivalent rare-earth (RE) ions in high-critical-temperature (high-T{sub c}) superconductors and related systems. In this paper the experimental orthorhombic CFPs, obtained mostly by inelastic neutron scattering techniques and to a lesser extent by magnetic susceptibility and specific heat measurements as well as the respective theoretical CFPs for Er{sup 3+}, Ho{sup 3+}, Nd{sup 3+}, and Pr{sup 3+} ions in REBa{sub 2}Cu{sub 3}O{sub 7-{delta}} compounds, are considered. Several problems identified due to the comparative CFP analysis: (i) confusing notations used for operators and CFPs, (ii) different scaling factors and units used for CFPs, and (iii) lack of clear definitions of the axis systems used to express CFPs, were clarified. For each ion studied the available experimental and theoretical CFP sets are analyzed, standardized, and presented in a unified way. The large number of CFP sets prevents calculation of the five additional alternative sets for each originally reported CFP set. Instead, the alternative CFP sets are determined using the package CST for an average set calculated for selected compatible sets for each ion. These alternative CFP sets may be utilized in the multiple correlated

Determination of relative populations of the magnetic sub-levels of the 4 1D level of HeI excited by heavy ion impact

International Nuclear Information System (INIS)

Carre, M.; Zgainski, A.; Gaillard, M.; Nouh, M.; Lombardi, M.

1981-01-01

The theoretical study of the depolarization of a transition, emitted from an excited atomic level J = 2, by a static electric field leads to the development of a new experimental method and the measurement of the relative population of the Zeeman sub-levels. This method is applied to the study of the 4 1 D level of HeI excited by several heavy ions (Li + , Ne + , Na + and Mg + ) at intermediate energy between 6 and 40 keV. From the obtained results, we derive informations on the target excitation phenomena: in particular present evidence for a long-range interaction, due to the ion charge, in the output channel of the collision [fr

A small electron beam ion trap/source facility for electron/neutral–ion collisional spectroscopy in astrophysical plasmas

Science.gov (United States)

Liang, Gui-Yun; Wei, Hui-Gang; Yuan, Da-Wei; Wang, Fei-Lu; Peng, Ji-Min; Zhong, Jia-Yong; Zhu, Xiao-Long; Schmidt, Mike; Zschornack, Günter; Ma, Xin-Wen; Zhao, Gang

2018-01-01

Spectra are fundamental observation data used for astronomical research, but understanding them strongly depends on theoretical models with many fundamental parameters from theoretical calculations. Different models give different insights for understanding a specific object. Hence, laboratory benchmarks for these theoretical models become necessary. An electron beam ion trap is an ideal facility for spectroscopic benchmarks due to its similar conditions of electron density and temperature compared to astrophysical plasmas in stellar coronae, supernova remnants and so on. In this paper, we will describe the performance of a small electron beam ion trap/source facility installed at National Astronomical Observatories, Chinese Academy of Sciences.We present some preliminary experimental results on X-ray emission, ion production, the ionization process of trapped ions as well as the effects of charge exchange on the ionization.

Adsorption and diffusion of lithium on layered silicon for Li-ion storage.

Science.gov (United States)

Tritsaris, Georgios A; Kaxiras, Efthimios; Meng, Sheng; Wang, Enge

2013-05-08

The energy density of Li-ion batteries depends critically on the specific charge capacity of the constituent electrodes. Silicene, the silicon analogue to graphene, being of atomic thickness could serve as high-capacity host of Li in Li-ion secondary batteries. In this work, we employ first-principles calculations to investigate the interaction of Li with Si in model electrodes of free-standing single-layer and double-layer silicene. More specifically, we identify strong binding sites for Li, calculate the energy barriers accompanying Li diffusion, and present our findings in the context of previous theoretical work related to Li-ion storage in other structural forms of silicon: the bulk and nanowires. The binding energy of Li is ~2.2 eV per Li atom and shows small variation with respect to Li content and silicene thickness (one or two layers) while the barriers for Li diffusion are relatively low, typically less than 0.6 eV. We use our theoretical findings to assess the suitability of two-dimensional silicon in the form of silicene layers for Li-ion storage.

Ion chemistry in germane/fluorocompounds gaseous mixtures: a mass spectrometric and theoretical study.

Science.gov (United States)

Antoniotti, Paola; Rabezzana, Roberto; Turco, Francesca; Borocci, Stefano; Giordani, Maria; Grandinetti, Felice

2008-10-01

The ion-molecule reactions occurring in GeH(4)/NF(3), GeH(4)/SF(6), and GeH(4)/SiF(4) gaseous mixtures have been investigated by ion trap mass spectrometry and ab initio calculations. While the NF(x)(+) (x=1-3) react with GeH(4) mainly by the exothermic charge transfer, the open-shell Ge(+) and GeH(2)(+) undergo the efficient F-atom abstraction from NF(3) and form GeF(+) and F-GeH(2)(+) as the only ionic products. The mechanisms of these two processes are quite similar and involve the formation of the fluorine-coordinated complexes Ge-F-NF(2)(+) and H(2)Ge-F-NF(2)(+), their subsequent crossing to the significantly more stable isomers FGe-NF(2)(+) and F-GeH(2)-NF(2)(+), and the eventual dissociation of these ions into GeF(+) (or F-GeH(2)(+)) and NF(2). The closed-shell GeH(+) and GeH(3)(+) are instead much less reactive towards NF(3), and the only observed process is the less efficient formation of GeF(+) from GeH(+). The theoretical investigation of this unusual H/F exchange reaction suggests the involvement of vibrationally-hot GeH(+). Passing from NF(3) to SF(6) and SiF(4), the average strength of the M-F bond increases from 70 to 79 and 142 kcal mol(-1), and in fact the only process observed by reacting GeH(n)(+) (n=0-3) with SF(6) and SiF(4) is the little efficient F-atom abstraction from SF(6) by Ge(+). Irrespective of the experimental conditions, we did not observe any ionic product of Ge-N, Ge-S, or Ge-Si connectivity. This is in line with the previously observed exclusive formation of GeF(+) from the reaction between Ge(+) and C-F compounds such as CH(3)F. Additionally observed processes include in particular the conceivable formation of the elusive thiohypofluorous acid FSH from the reaction between SF(+) and GeH(4).

Energy transport in ASDEX in relation to theoretical and semi-empirical transport coefficients

International Nuclear Information System (INIS)

Gruber, O.; Wunderlich, R.; Lackner, K.; Schneider, W.

1989-09-01

A comparison of measurements with theoretically predicted energy transport coefficients has been done for Ohmic and NBI-heated discharges using both analysis and simulation codes. The contribution of strong electrostatic turbulence given by the η i -driven modes to the ion heat conductivity is very successful in explaining the observed response of confinement to density profile changes and is found to be even in good quantitative agreement. Regarding the electron branch, a combination of trapped electron driven turbulence and resistive ballooning modes might be a promising model to explain both the correct power and density dependence of confinement time, and the observed radial dependence of the electron heat conductivity. (orig.)

Future directions in electron--ion collision physics

International Nuclear Information System (INIS)

Reed, K.J.; Griffin, D.C.

1992-01-01

This report discusses the following topics: Summary of session on synergistic co-ordination of theory and experiment; synergism between experiment and theory in atomic physics; comparison of theory and experiment for electron-ion excitation and ionization; summary of session on new theoretical and computational methods; new theoretical and computational methods-r-matrix calculations; the coulomb three-body problem: a progress report; summary of session on needs and applications for electron-ion collisional data; electron-ion collisions in the plasma edge; needs and applications of theoretical data for electron impact excitation; summary of session on relativistic effects, indirect effects, resonance, etc; direct and resonant processes in electron-ion collisions; relativistic calculations of electron impact ionization and dielectronic recombination cross section for highly charged ions; electron-ion recombination in the close-coupling approximation; modified resonance amplitudes with strongly correlated channels; a density-matrix approach to the broadening of spectral lines by autoionization, radiative transitions and electron-ion collisions; towards a time-dependent description of electron-atom/ion collisions two electron systems; and comments on inclusion of the generalized bright interaction in electron impact excitation of highly charged ions

Consideration of beam plasma ion-source

International Nuclear Information System (INIS)

Sano, Fumimichi; Kusano, Norimasa; Ishida, Yoshihiro; Ishikawa, Junzo; Takagi, Toshinori

1976-01-01

Theoretical and experimental analyses and their comparison were made on the plasma generation and on the beam extraction for the beam plasma ion-source. The operational principle and the structure of the ion-source are explained in the first part. Considerations are given on the electron beam-plasma interaction and the resulting generation of high frequency or microwaves which in turn increases the plasma density. The flow of energy in this system is also explained in the second part. The relation between plasma density and the imaginary part of frequency is given by taking the magnetic flux density, the electron beam energy, and the electron beam current as parameters. The relations between the potential difference between collector and drift tube and the plasma density or the ion-current are also given. Considerations are also given to the change of the plasma density due to the change of the magnetic flux density at drift tube, the change of the electron beam energy, and the change of the electron beam current. The third part deals with the extraction characteristics of the ion beam. The structure of the multiple-aperture electrode and the relation between plasma density and the extracted ion current are explained. (Aoki, K.)

Damage related deep electron levels in ion implanted GaAs

International Nuclear Information System (INIS)

Allsopp, D.W.E.; Peaker, A.R.

1986-01-01

A study has been made of the deep electron levels in semi-insulating GaAs implanted with either 78 Se + or 29 Si + ions and rendered n-type by subsequent annealing without encapsulation in partial pressures of arsenic or arsine. Three implantation related deep states were detected with concentration profiles approximating to the type of Gaussian distributions expected for point defects related to ion implantation damage. Further heat treatment of the samples at 500 0 C in a gas ambient of U 2 /H 2 substantially reduced concentration of these deep levels. Two of these states were thought to be related to displacements of the substrate atoms. The third, at Esubc -0.67 eV, was found in only 78 Se + ion implanted GaAs substrates and was thought to be a defect involving both Se and As atoms, rather than intrinsic lattice disorder. It is proposed that the annealing rate of these implantation related deep levels depends crucially on the in-diffusion of arsenic vacancies during heat treatments. (author)

Charge-dependent effects in double photoionization of He-like ions

Energy Technology Data Exchange (ETDEWEB)

Foster, M; Colgan, J [Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

2006-12-28

A study is made of triple differential cross sections (TDCS) resulting from the double photoionization (DPI) of He-like ions. The angular correlations between the outgoing electrons are examined as a function of the nuclear target charge. Time-dependent close-coupling theory (TDCC) is used to solve the time-dependent Schroedinger equation for both outgoing electrons. Previous theoretical models that have calculated the TDCS for He-like ions have only included the electron-electron interaction through approximate perturbative methods. We have analysed the effects of the electron correlation and the dependence relative to the nuclear charge. We find that the differing TDCS shapes for unequal electron energy sharings observed by Otranto and Garibotti (2003 Eur. Phys. J. D 27 215, 2005 Phys. Rev. A 71 034703-1, 2003 Phys. Rev. A 67 064701) for He-like ions are not due to the decreasing relative strength of the electron-electron correlation, but rather due to the different energy regions in which each calculation is carried out. Our calculations are compared with previous experimental and theoretical work, where available.

Theoretical study of the electrostatic lens aberrations of a negative ion accelerator for a neutral beam injector

International Nuclear Information System (INIS)

Miyamoto, Kenji; Hatayama, Akiyoshi

2009-01-01

Aberrations due to the electrostatic lenses of a negative ion accelerator for a neutral beam injector and the space charge effect are theoretically investigated. A multi-stage extractor/accelerator is modeled and the aberration coefficients are numerically calculated using the eikonal method, which is conventionally used in electron optics. The aberrations are compared with the radii of a beam core with good beam divergence and a beam halo with poor beam divergence. H - beamlet profile measurements give the 1/e radii of the beam core and beam halo of 5.8 mm (beam divergence angel: 6 mrad) and 11.5 mm (beam divergence angel: 12 mrad), respectively. When the beam divergence angle of the beam core is 5 mrad and the beam energy is 406 keV, the aberrations due to the electrostatic lenses are less than a few millimeters, thus are less than the radii of the beam core and beam halo. The geometrical aberrations due to te space charge effect (negative ion current density: 10 mA/cm 2 ), however, are estimated to be much larger than the radius of the beam halo. Although the aperture radii of the grids are not taken into account in this estimation, the results indicate that the space charge effect is an important factor in the aberration or beam halo in a negative ion accelerator. (author)

Associative Ionization of Excited Sodium Species with Various Ligands: Assessing Relative Bonding Strengths of Ion-ligand Interactions

Czech Academy of Sciences Publication Activity Database

Gilligan, J. J.; McCunn, L. R.; Leskiw, B. D.; Herman, Zdeněk; Castleman Jr., A. W.

2001-01-01

Roč. 204, 1/3 (2001), s. 247-253 ISSN 1387-3806 Institutional research plan: CEZ:AV0Z4040901 Keywords : associative ionization * cluster ions * sodium bonding energies Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.176, year: 2001

Photoluminescence of Se-related oxygen deficient center in ion-implanted silica films

International Nuclear Information System (INIS)

Zatsepin, A.F.; Buntov, E.A.; Pustovarov, V.A.; Fitting, H.-J.

2013-01-01

The results of low-temperature time-resolved photoluminescence (PL) investigation of thin SiO 2 films implanted with Se + ions are presented. The films demonstrate an intensive PL band in the violet spectral region, which is attributed to the triplet luminescence of a new variant of selenium-related oxygen deficient center (ODC). The main peculiarity of the defect energy structure is the inefficient direct optical excitation. Comparison with spectral characteristics of isoelectronic Si-, Ge- and SnODCs show that the difference in electronic properties of the new center is related to ion size factor. It was established that the dominating triplet PL excitation under VUV light irradiation is related to the energy transfer from SiO 2 excitons. A possible model of Se-related ODC is considered. -- Highlights: • The low-temperature photoluminescence of thin SiO 2 films implanted with Se + ions was studied. • The 3.4 eV PL band was attributed to triplet luminescence of Se-related ODC. • The peculiarity of SeODC electronic properties is related to ion size factor. • The dominating VUV excitation of triplet PL is related to energy transfer from SiO 2 excitons. • A possible model of Se-related ODC is considered

Theoretical relation between halo current-plasma energy displacement/deformation in EAST

Science.gov (United States)

Khan, Shahab Ud-Din; Khan, Salah Ud-Din; Song, Yuntao; Dalong, Chen

2018-04-01

In this paper, theoretical model for calculating halo current has been developed. This work attained novelty as no theoretical calculations for halo current has been reported so far. This is the first time to use theoretical approach. The research started by calculating points for plasma energy in terms of poloidal and toroidal magnetic field orientations. While calculating these points, it was extended to calculate halo current and to developed theoretical model. Two cases were considered for analyzing the plasma energy when flows down/upward to the diverter. Poloidal as well as toroidal movement of plasma energy was investigated and mathematical formulations were designed as well. Two conducting points with respect to (R, Z) were calculated for halo current calculations and derivations. However, at first, halo current was established on the outer plate in clockwise direction. The maximum generation of halo current was estimated to be about 0.4 times of the plasma current. A Matlab program has been developed to calculate halo current and plasma energy calculation points. The main objective of the research was to establish theoretical relation with experimental results so as to precautionary evaluate the plasma behavior in any Tokamak.

Experimental quantum simulations of many-body physics with trapped ions.

Science.gov (United States)

Schneider, Ch; Porras, Diego; Schaetz, Tobias

2012-02-01

Direct experimental access to some of the most intriguing quantum phenomena is not granted due to the lack of precise control of the relevant parameters in their naturally intricate environment. Their simulation on conventional computers is impossible, since quantum behaviour arising with superposition states or entanglement is not efficiently translatable into the classical language. However, one could gain deeper insight into complex quantum dynamics by experimentally simulating the quantum behaviour of interest in another quantum system, where the relevant parameters and interactions can be controlled and robust effects detected sufficiently well. Systems of trapped ions provide unique control of both the internal (electronic) and external (motional) degrees of freedom. The mutual Coulomb interaction between the ions allows for large interaction strengths at comparatively large mutual ion distances enabling individual control and readout. Systems of trapped ions therefore exhibit a prominent system in several physical disciplines, for example, quantum information processing or metrology. Here, we will give an overview of different trapping techniques of ions as well as implementations for coherent manipulation of their quantum states and discuss the related theoretical basics. We then report on the experimental and theoretical progress in simulating quantum many-body physics with trapped ions and present current approaches for scaling up to more ions and more-dimensional systems.

Review on heavy ion radiotherapy facilities and related ion sources (invited)

International Nuclear Information System (INIS)

Kitagawa, A.; Fujita, T.; Muramatsu, M.; Biri, S.; Drentje, A. G.

2010-01-01

Heavy ion radiotherapy awakens worldwide interest recently. The clinical results obtained by the Heavy Ion Medical Accelerator in Chiba at the National Institute of Radiological Sciences in Japan have clearly demonstrated the advantages of carbon ion radiotherapy. Presently, there are four facilities for heavy ion radiotherapy in operation, and several new facilities are under construction or being planned. The most common requests for ion sources are a long lifetime and good stability and reproducibility. Sufficient intensity has been achieved by electron cyclotron resonance ion sources at the present facilities.

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.

Theoretical investigation of electron-positive ion/atom interactions

International Nuclear Information System (INIS)

Msezane, A.Z.

1992-01-01

Very brief summaries are given on three research topics. Electron impact elastic, excitation, and total cross sections for K were investigated by using elaborate Cl target wave functions in the close-coupling approximation. Photoionization cross sections from ground-state Na were calculated near the 2s 2 2p 5 3s and 2s2p 6 3s inner-shell thresholds; also, the photoionization cross sections of excited 3p 2 P o and 3d 2 D states were calculated with the R-matrix methodology near the 2s2p 6 3s thresholds. A numerical approach was developed to calculate the charge transfer matrix elements for ion-atom(ion) collisions; this was used for the proton-hydrogen collision problem as an illustration

Formation of the high-energy ion population in the earth's magnetotail: spacecraft observations and theoretical models

Directory of Open Access Journals (Sweden)

A. V. Artemyev

2014-10-01

Full Text Available We investigate the formation of the high-energy (E ∈ [20,600] keV ion population in the earth's magnetotail. We collect statistics of 4 years of Interball / Tail observations (1995–1998 in the vicinity of the neutral plane in the magnetotail region (X RE, |Y| ≤ 20 RE in geocentric solar magnetospheric (GSM system. We study the dependence of high-energy ion spectra on the thermal-plasma parameters (the temperature Ti and the amplitude of bulk velocity vi and on the magnetic-field component Bz. The ion population in the energy range E ∈ [20,600] keV can be separated in the thermal core and the power-law tail with the slope (index ~ −4.5. Fluxes of the high-energy ion population increase with the growth of Bz, vi and especially Ti, but spectrum index seems to be independent on these parameters. We have suggested that the high-energy ion population is generated by small scale transient processes, rather than by the global reconfiguration of the magnetotail. We have proposed the relatively simple and general model of ion acceleration by transient bursts of the electric field. This model describes the power-law energy spectra and predicts typical energies of accelerated ions.

Atom probe field ion microscopy and related topics: A bibliography 1989

International Nuclear Information System (INIS)

Miller, M.K.; Hawkins, A.R.; Russell, K.F.

1990-12-01

This bibliography includes references related to the following topics: atom probe field ion microscopy (APFIM), field ion spectroscopy (FIM), field emission microscopy (FEM), liquid metal ion sources (LMIS), scanning tunneling microscopy (STM), and theory. Technique-orientated studies and applications are included. This bibliography covers the period 1989. The references contained in this document were compiled from a variety of sources including computer searches and personal lists of publications

An equilibrium model for ligand-modified micellar-enhanced ultrafiltration. Selective separation of metal ions using iminoacetic substituted polyamines and a theoretical model for the titration behavior of polyamines

Energy Technology Data Exchange (ETDEWEB)

Dharmawardana, Udeni Rajaratna [Univ. of Oklahoma, Norman, OK (United States)

1992-01-01

This thesis consists of three chapters. Chapter 1, An equilibrium model for ligand-modified micellar-enhanced ultrafiltration, describes a theoretical model and experimental investigations which used the semi-equilibrium-dialysis method with N-n-dodecyl iminodiacetic acid as the ligand. In Chapter 2, Selective separation of metal ions using iminoacetic substituted polyamines, polyamines with a substituted ligand group are synthesized and used in investigating selective separation of copper ions from aqueous solution. In Chapter 3, A theoretical model for the titration behavior of polyamines, a novel approach to explain the titration behavior of polymeric amines based on the binding behavior of counterions is described. The application of this study is to the investigation of inexpensive and efficient methods of industrial waste water treatment.

Origin of stabilization and destabilization in solid-state redox reaction of oxide ions for lithium-ion batteries.

Science.gov (United States)

Yabuuchi, Naoaki; Nakayama, Masanobu; Takeuchi, Mitsue; Komaba, Shinichi; Hashimoto, Yu; Mukai, Takahiro; Shiiba, Hiromasa; Sato, Kei; Kobayashi, Yuki; Nakao, Aiko; Yonemura, Masao; Yamanaka, Keisuke; Mitsuhara, Kei; Ohta, Toshiaki

2016-12-23

Further increase in energy density of lithium batteries is needed for zero emission vehicles. However, energy density is restricted by unavoidable theoretical limits for positive electrodes used in commercial applications. One possibility towards energy densities exceeding these limits is to utilize anion (oxide ion) redox, instead of classical transition metal redox. Nevertheless, origin of activation of the oxide ion and its stabilization mechanism are not fully understood. Here we demonstrate that the suppression of formation of superoxide-like species on lithium extraction results in reversible redox for oxide ions, which is stabilized by the presence of relatively less covalent character of Mn 4+ with oxide ions without the sacrifice of electronic conductivity. On the basis of these findings, we report an electrode material, whose metallic constituents consist only of 3d transition metal elements. The material delivers a reversible capacity of 300 mAh g -1 based on solid-state redox reaction of oxide ions.

Origin of stabilization and destabilization in solid-state redox reaction of oxide ions for lithium-ion batteries

Science.gov (United States)

Yabuuchi, Naoaki; Nakayama, Masanobu; Takeuchi, Mitsue; Komaba, Shinichi; Hashimoto, Yu; Mukai, Takahiro; Shiiba, Hiromasa; Sato, Kei; Kobayashi, Yuki; Nakao, Aiko; Yonemura, Masao; Yamanaka, Keisuke; Mitsuhara, Kei; Ohta, Toshiaki

2016-01-01

Further increase in energy density of lithium batteries is needed for zero emission vehicles. However, energy density is restricted by unavoidable theoretical limits for positive electrodes used in commercial applications. One possibility towards energy densities exceeding these limits is to utilize anion (oxide ion) redox, instead of classical transition metal redox. Nevertheless, origin of activation of the oxide ion and its stabilization mechanism are not fully understood. Here we demonstrate that the suppression of formation of superoxide-like species on lithium extraction results in reversible redox for oxide ions, which is stabilized by the presence of relatively less covalent character of Mn4+ with oxide ions without the sacrifice of electronic conductivity. On the basis of these findings, we report an electrode material, whose metallic constituents consist only of 3d transition metal elements. The material delivers a reversible capacity of 300 mAh g−1 based on solid-state redox reaction of oxide ions. PMID:28008955

Ion-acoustic Gardner solitons in a four-component nonextensive multi-ion plasma

Energy Technology Data Exchange (ETDEWEB)

Jannat, N., E-mail: nilimajannat74@gmail.com; Ferdousi, M.; Mamun, A. A. [Jahangirnagar University, Department of Physics (Bangladesh)

2016-07-15

The nonlinear propagation of ion-acoustic (IA) solitary waves (SWs) in a four-component non-extensive multi-ion plasma system containing inertial positively charged light ions, negatively charged heavy ions, as well as noninertial nonextensive electrons and positrons has been theoretically investigated. The reductive perturbation method has been employed to derive the nonlinear equations, namely, Korteweg−deVries (KdV), modified KdV (mKdV), and Gardner equations. The basic features (viz. polarity, amplitude, width, etc.) of Gardner solitons are found to exist beyond the KdV limit and these IA Gardner solitons are qualitatively different from the KdV and mKdV solitons. It is observed that the basic features of IA SWs are modified by various plasma parameters (viz. electron and positron nonextensivity, electron number density to ion number density, and electron temperature to positron temperature, etc.) of the considered plasma system. The results obtained from this theoretical investigation may be useful in understanding the basic features of IA SWs propagating in both space and laboratory plasmas.

Ion-acoustic Gardner solitons in a four-component nonextensive multi-ion plasma

International Nuclear Information System (INIS)

Jannat, N.; Ferdousi, M.; Mamun, A. A.

2016-01-01

The nonlinear propagation of ion-acoustic (IA) solitary waves (SWs) in a four-component non-extensive multi-ion plasma system containing inertial positively charged light ions, negatively charged heavy ions, as well as noninertial nonextensive electrons and positrons has been theoretically investigated. The reductive perturbation method has been employed to derive the nonlinear equations, namely, Korteweg−deVries (KdV), modified KdV (mKdV), and Gardner equations. The basic features (viz. polarity, amplitude, width, etc.) of Gardner solitons are found to exist beyond the KdV limit and these IA Gardner solitons are qualitatively different from the KdV and mKdV solitons. It is observed that the basic features of IA SWs are modified by various plasma parameters (viz. electron and positron nonextensivity, electron number density to ion number density, and electron temperature to positron temperature, etc.) of the considered plasma system. The results obtained from this theoretical investigation may be useful in understanding the basic features of IA SWs propagating in both space and laboratory plasmas.

On experimental and theoretical studies of dynamics and particle production in p-nucleus and heavy ion reactions

Energy Technology Data Exchange (ETDEWEB)

Fokin, A.B

1998-11-01

Several experiments and theoretical models of intermediate energy heavy ion collision physics are presented in this thesis. Statistical and dynamical aspects of nuclear collisions are widely discussed these days, particularly in connection with the multifragmentation phenomenon and the possible link to a liquid-gas phase transition in the spinodal region of nuclear matter phase diagram. Experimental techniques which allow us to measure various parameters of hot and dense (equilibrated) regions (emission sources) formed in a heavy ion collision are well established nowadays. In recent CHIC (Celsius Heavy Ion Collaboration) experiments the properties of such sources were measured using slowly ramping mode of the CELSIUS storage ring. In this thesis the entropy and chaos production in nuclear collisions is discussed in connection with the t/d/p ratios. Subthreshold pion production explores collective effects in heavy ion collisions and brings additional information about the equation of state of nuclear matter. Continuous pion production excitation functions were measured in the beam energy region from far below the nucleon-nucleon threshold up to the delta dominant region. Mass and angular dependencies of pion production are discussed. A version of the molecular dynamics model which includes pion production in direct nucleon-nucleon collisions was developed and experimental data were analysed in the scope of this model. Properties of the emission sources formed in heavy ion collisions at energies below 50A MeV were studied in the experiments of fragmentation type performed by CHIC. Temperatures of these sources were extracted from fragment energy spectra and from `isotopic effect`. A version of the quantum molecular dynamics model, where the Pauli potential is introduced into the Hamiltonian, was combined with the statistical multifragmentation model and used to explore dynamical and statistical properties of the reaction development. The artificial neural networks

On experimental and theoretical studies of dynamics and particle production in p-nucleus and heavy ion reactions

International Nuclear Information System (INIS)

Fokin, A.B.

1998-11-01

Several experiments and theoretical models of intermediate energy heavy ion collision physics are presented in this thesis. Statistical and dynamical aspects of nuclear collisions are widely discussed these days, particularly in connection with the multifragmentation phenomenon and the possible link to a liquid-gas phase transition in the spinodal region of nuclear matter phase diagram. Experimental techniques which allow us to measure various parameters of hot and dense (equilibrated) regions (emission sources) formed in a heavy ion collision are well established nowadays. In recent CHIC (Celsius Heavy Ion Collaboration) experiments the properties of such sources were measured using slowly ramping mode of the CELSIUS storage ring. In this thesis the entropy and chaos production in nuclear collisions is discussed in connection with the t/d/p ratios. Subthreshold pion production explores collective effects in heavy ion collisions and brings additional information about the equation of state of nuclear matter. Continuous pion production excitation functions were measured in the beam energy region from far below the nucleon-nucleon threshold up to the delta dominant region. Mass and angular dependencies of pion production are discussed. A version of the molecular dynamics model which includes pion production in direct nucleon-nucleon collisions was developed and experimental data were analysed in the scope of this model. Properties of the emission sources formed in heavy ion collisions at energies below 50A MeV were studied in the experiments of fragmentation type performed by CHIC. Temperatures of these sources were extracted from fragment energy spectra and from 'isotopic effect'. A version of the quantum molecular dynamics model, where the Pauli potential is introduced into the Hamiltonian, was combined with the statistical multifragmentation model and used to explore dynamical and statistical properties of the reaction development. The artificial neural networks

Heavy ion-induced lesions in DNA: A theoretical model for the initial induction of DNA strand breaks and chromatin breaks

International Nuclear Information System (INIS)

Schmidt, J.B.

1993-01-01

A theoretical model has been developed and used to calculate yields and spatial distributions of DNA strand breaks resulting from the interactions of heavy ions with chromatin in aqueous systems. The three dimensional spatial distribution of ionizing events has been modeled for charged particles as a function of charge and velocity. Chromatin has been modeled as a 30 nm diameter solenoid of nucleosomal DNA. The Monte Carlo methods used by Chatterjee et al. have been applied to DNA in a chromatin conformation. Refinements to their methods include: a combined treatment of primary and low energy (<2 keV) secondary electron interactions, an improved low energy delta ray model, and the combined simulation of direct energy deposition on the DNA and attack by diffusing hydroxyl radicals. Individual particle tracks are treated independently, which is assumed to be applicable to low fluence irradiations in which multiple particle effects are negligible. Single strand break cross section open-quotes hooksclose quotes seen in experiments at very high LET appear to be due to the collapsing radial extent of the track, as predicted in the open-quotes deep sieveclose quotes hypothesis proposed by Tobias et al. Spatial distributions of lesions produced by particles have been found to depend on chromatin structure. In the future, heavy ions may be used as a tool to probe the organization of DNA in chromatin. A Neyman A-binomial variation of the open-quotes cluster modelclose quotes for the distribution of chromatin breaks per irradiated cell has been theoretically tested. The model includes a treatment of the chromatin fragment detection technique's resolution, which places a limitation on the minimum size of fragments which can be detected. The model appears to fit some of the experimental data reasonably well. However, further experimental and theoretical refinements are desirable

Exploring patient satisfaction predictors in relation to a theoretical model.

Science.gov (United States)

Grøndahl, Vigdis Abrahamsen; Hall-Lord, Marie Louise; Karlsson, Ingela; Appelgren, Jari; Wilde-Larsson, Bodil

2013-01-01

The aim is to describe patients' care quality perceptions and satisfaction and to explore potential patient satisfaction predictors as person-related conditions, external objective care conditions and patients' perception of actual care received ("PR") in relation to a theoretical model. A cross-sectional design was used. Data were collected using one questionnaire combining questions from four instruments: Quality from patients' perspective; Sense of coherence; Big five personality trait; and Emotional stress reaction questionnaire (ESRQ), together with questions from previous research. In total, 528 patients (83.7 per cent response rate) from eight medical, three surgical and one medical/surgical ward in five Norwegian hospitals participated. Answers from 373 respondents with complete ESRQ questionnaires were analysed. Sequential multiple regression analysis with ESRQ as dependent variable was run in three steps: person-related conditions, external objective care conditions, and PR (p person-related conditions) explained 51.7 per cent of the ESRQ variance. Step 2 (external objective care conditions) explained an additional 2.4 per cent. Step 3 (PR) gave no significant additional explanation (0.05 per cent). Steps 1 and 2 contributed statistical significance to the model. Patients rated both quality-of-care and satisfaction highly. The paper shows that the theoretical model using an emotion-oriented approach to assess patient satisfaction can explain 54 per cent of patient satisfaction in a statistically significant manner.

Low energy ion beam dynamics of NANOGAN ECR ion source

Energy Technology Data Exchange (ETDEWEB)

Kumar, Sarvesh, E-mail: sarvesh@iuac.res.in; Mandal, A.

2016-04-01

A new low energy ion beam facility (LEIBF) has been developed for providing the mass analyzed highly charged intense ion beams of energy ranging from a few tens of keV to a few MeV for atomic, molecular and materials sciences research. The new facility consists of an all permanent magnet 10 GHz electron cyclotron resonance (ECR) ion source (NANOGAN) installed on a high voltage platform (400 kV) which provides large currents of multiply charged ion beams. Higher emittance at low energy of intense ion beam puts a tremendous challenge to the beam optical design of this facility. The beam line consists of mainly the electrostatic quadrupoles, an accelerating section, analyzing cum switching magnet and suitable beam diagnostics including vacuum components. The accelerated ion beam is analyzed for a particular mass to charge (m/q) ratio as well as guided to three different lines along 75°, 90° and 105° using a large acceptance analyzing cum switching magnet. The details of transverse beam optics to all the beam lines with TRANSPORT and GICOSY beam optics codes are being described. Field computation code, OPERA 3D has been utilized to design the magnets and electrostatic quadrupoles. A theoretical estimation of emittance for optimized geometry of ion source is given so as to form the basis of beam optics calculations. The method of quadrupole scan of the beam is used to characterize the emittance of the final beam on the target. The measured beam emittance increases with m/q ratios of various ion beams similar to the trend observed theoretically.

Theoretical studies in nuclear reactions and nuclear structure

International Nuclear Information System (INIS)

Wallace, S.J.

1991-05-01

This report discusses topics in the following areas: Hadronic structure; hadrons in nuclei; hot hadronic matter; relativistic nuclear physics and NN interaction; leptonic emissions from high-Z heavy ion collisions; theoretical studies of heavy ion dynamics; nuclear pre-equilibrium reactions; classical chaotic dynamics and nuclear structure; and, theory of nuclear fission

Effects of the instability enhanced friction on relative ion densities in a two-ion species low-temperature plasma

Science.gov (United States)

Vukovic, Mirko

2011-10-01

The instability enhanced friction theory of Baalrud & Hegna (Phys. Plasmas 18, 023505 (2011)) predicts that for comparable ion densities the ions nearly reach a common velocity near the sheath edge in a low temperature plasma. The theory was experimentally confirmed by Yip, Hershkowitz, & Severn (Phys. Rev. Letters 104, 225003 (2010)). We will explore the effects of the theory on relative ion densities in a numerical simulation of an Ar/Xe plasma. Results for a 0D plasma model (Lieberman, Lichtenberg, Principles of Plasma Discharges and Materials Processing, 2005) will be presented.

On Collisionless Damping of Ion Acoustic Waves

DEFF Research Database (Denmark)

Jensen, Vagn Orla; Petersen, P.I.

1973-01-01

Exact theoretical treatments show that the damping of ion acoustic waves in collisionless plasmas does not vanish when the derivative of the undisturbed distribution function at the phase velocity equals zero.......Exact theoretical treatments show that the damping of ion acoustic waves in collisionless plasmas does not vanish when the derivative of the undisturbed distribution function at the phase velocity equals zero....

Heavy ion collisions and cosmology

Energy Technology Data Exchange (ETDEWEB)

Floerchinger, Stefan

2016-12-15

There are interesting parallels between the physics of heavy ion collisions and cosmology. Both systems are out-of-equilibrium and relativistic fluid dynamics plays an important role for their theoretical description. From a comparison one can draw interesting conclusions for both sides. For heavy ion physics it could be rewarding to attempt a theoretical description of fluid perturbations similar to cosmological perturbation theory. In the context of late time cosmology, it could be interesting to study dissipative properties such as shear and bulk viscosity and corresponding relaxation times in more detail. Knowledge and experience from heavy ion physics could help to constrain the microscopic properties of dark matter from observational knowledge of the cosmological fluid properties.

Experimental and theoretical studies of bombardment induced surface morphology changes

International Nuclear Information System (INIS)

Carter, G.; Nobes, M.J.; Williams, J.S.

1980-01-01

In this review results of experimental and theoretical studies of solid surface morphology changes due to ion bombardment are discussed. An attempt is undertaken to classify the observed specific features of a structure, generated by ion bombardment [ru

Theoretical nuclear physics

International Nuclear Information System (INIS)

Anon.

1985-01-01

The theoretical physics program in the Physics Division at ORNL involves research in both nuclear and atomic physics. In nuclear physics there is extensive activity in the fields of direct nuclear reactions with light- and heavy-ion projectiles, the structure of nuclei far from stability and at elevated temperatures, and the microscopic and macroscopic description of heavy-ion dynamics, including the behavior of nuclear molecules and supernuclei. New research efforts in relativistic nuclear collisions and in the study of quark-gluon plasma have continued to grow this year. The atomic theory program deals with a variety of ionization, multiple-vacancy production, and charge-exchange processes. Many of the problems are selected because of their relevance to the magnetic fusion energy program. In addition, there is a joint atomic-nuclear theory effort to study positron production during the collision of two high-Z numbers, i.e., U+U. A new Distinguished Scientist program, sponsored jointly by the University of Tennessee and ORNL, has been initiated. Among the first appointments is G.F. Bertsch in theoretical physics. As a result of this appointment, Bertsch and an associated group of four theorists split their time between UT and ORNL. In addition, the State of Tennessee has established a significant budget to support the visits of outstanding scientists to the Joint Institute for Heavy Ion Research at ORNL. This budget should permit a significant improvement in the visitor program at ORNL. Finally, the Laboratory awarded a Wigner post-doctoral Appointment to a theorist who will work in the theory group of the Physics Division

Improved theoretical approximation for the ion drag force in collisionless plasma with strong ion-grain coupling

International Nuclear Information System (INIS)

Khrapak, S. A.; Nosenko, V.; Morfill, G. E.; Merlino, R.

2009-01-01

We point out a deficiency in our previous analytic calculation of the ion drag force for conditions of the experiment by Nosenko et al. [Phys. Plasmas 14, 103702 (2007)]. An inaccurate approximation is corrected and the ion drag force is recalculated. The improved model yields better overall agreement with the experimental results as compared to the original calculation.

Accelerator simulation and theoretical modelling of radiation effects (SMoRE)

CERN Document Server

2018-01-01

This publication summarizes the findings and conclusions of the IAEA coordinated research project (CRP) on accelerator simulation and theoretical modelling of radiation effects, aimed at supporting Member States in the development of advanced radiation-resistant structural materials for implementation in innovative nuclear systems. This aim can be achieved through enhancement of both experimental neutron-emulation capabilities of ion accelerators and improvement of the predictive efficiency of theoretical models and computer codes. This dual approach is challenging but necessary, because outputs of accelerator simulation experiments need adequate theoretical interpretation, and theoretical models and codes need high dose experimental data for their verification. Both ion irradiation investigations and computer modelling have been the specific subjects of the CRP, and the results of these studies are presented in this publication which also includes state-ofthe- art reviews of four major aspects of the project...

Intellect: a theoretical framework for personality traits related to intellectual achievements.

Science.gov (United States)

Mussel, Patrick

2013-05-01

The present article develops a theoretical framework for the structure of personality traits related to intellectual achievements. We postulate a 2-dimensional model, differentiating between 2 processes (Seek and Conquer) and 3 operations (Think, Learn, and Create). The framework was operationalized by a newly developed measure, which was validated based on 2 samples. Subsequently, in 3 studies (overall N = 1,478), the 2-dimensional structure of the Intellect framework was generally supported. Additionally, subdimensions of the Intellect framework specifically predicted conceptually related criteria, including scholastic performance, vocational interest, and leisure activities. Furthermore, results from multidimensional scaling and higher order confirmatory factor analyses show that the framework allows for the incorporation of several constructs that have been proposed on different theoretical backgrounds, such as need for cognition, typical intellectual engagement, curiosity, intrinsic motivation, goal orientation, and openness to ideas. It is concluded that based on the Intellect framework, these constructs, which have been researched separately in the literature, can be meaningfully integrated.

TMX tandem-mirror experiments and thermal-barrier theoretical studies

International Nuclear Information System (INIS)

Simonen, T.C.; Baldwin, D.E.; Allen, S.L.

1982-01-01

This paper describes recent analysis of energy confinement in the Tandem Mirror Experiment (TMX). TMX data also indicates that warm plasma limits the amplitude of the anisotropy driven Alfven ion cyclotron (AIC) mode. Theoretical calculations show strong AIC stabilization with off-normal beam injection as planned in TMX-U and MFTF-B. This paper reports results of theoretical analysis of hot electrons in thermal barriers including electron heating calculations by Monte Carlo and Fokker-Planck codes and analysis of hot electron MHD and microinstability. Initial results from the TMX-U experiment are presented which show the presence of sloshing ions

Production and Characterization of Desmalonichrome Relative Binding Affinity for Uranyl Ions in Relation to Other Siderophores

Energy Technology Data Exchange (ETDEWEB)

Mo, Kai-For; Dai, Ziyu; Wunschel, David S.

2016-06-24

Siderophores are Fe binding secondary metabolites that have been investigated for their uranium binding properties. Much of the previous work has focused on characterizing hydroxamate types of siderophores, such as desferrioxamine B, for their uranyl binding affinity. Carboxylate forms of these metabolites hold potential to be more efficient chelators of uranyl, yet they have not been widely studied and are more difficult to obtain. Desmalonichrome is a carboxylate siderophore which is not commercially available and so was obtained from the ascomycete fungus Fusarium oxysporum cultivated under Fe depleted conditions. The relative affinity for uranyl binding of desmalonichrome was investigated using a competitive analysis of binding affinities between uranyl acetate and different concentrations of iron(III) chloride using electrospray ionization mass spectrometry (ESI-MS). In addition to desmalonichrome, three other siderophores, including two hydroxamates (desferrioxamine B and desferrichrome) and one carboxylate (desferrichrome A) were studied to understand their relative affinities for the uranyl ion at two pH values. The binding affinities of hydroxymate siderophores to uranyl ion were found to decrease to a greater degree at lower pH as the concentration of Fe (III) ion increases. On the other hand, lowering pH has little impact on the binding affinities between carboxylate siderophores and uranyl ion. Desmalonichrome was shown to have the greatest relative affinity for uranyl at any pH and Fe(III) concentration. These results suggest that acidic functional groups in the ligands are critical for strong chelation with uranium at lower pH.

Properties of the ion-ion hybrid resonator in fusion plasmas

International Nuclear Information System (INIS)

Morales, George J.

2015-01-01

The project developed theoretical and numerical descriptions of the properties of ion-ion hybrid Alfvn resonators that are expected to arise in the operation of a fusion reactor. The methodology and theoretical concepts were successfully compared to observations made in basic experiments in the LAPD device at UCLA. An assessment was made of the excitation of resonator modes by energetic alpha particles for burning plasma conditions expected in the ITER device. The broader impacts included the generation of basic insight useful to magnetic fusion and space science researchers, defining new avenues for exploration in basic laboratory experiments, establishing broader contacts between experimentalists and theoreticians, completion of a Ph.D. dissertation, and promotion of interest in science through community outreach events and classroom instruction.

Spectroscopy of highly charged tungsten ions with Electron Beam Ion Traps

International Nuclear Information System (INIS)

Sakaue, Hiroyuki A.; Kato, Daiji; Morita, Shigeru; Murakami, Izumi; Yamamoto, Norimasa; Ohashi, Hayato; Yatsurugi, Junji; Nakamura, Nobuyuki

2013-01-01

We present spectra of highly charged tungsten ions in the extreme ultra-violet (EUV) by using electron beam ion traps. The electron energy dependence of spectra is investigated of electron energies from 490 to 1440 eV. Previously unreported lines are presented in the EUV range, and some of them are identified by comparing the wavelengths with theoretical calculations. (author)

Recent developments in heavy-ion physics

International Nuclear Information System (INIS)

Bonche, Paul; Schaeffer, Richard; Grammaticos, Basile; Vichniac, Gerard; Orland, Henri.

1978-01-01

In this course the main experimental results on heavy ion reactions are reviewed and the various theoretical methods used in their description are presented. The first chapter attempts a classification of heavy ion reactions, assuming that the various processes depend significantly on the energy available for the reaction and on the relative angular momentum of the collision. The second chapter presents a semi-classical method which makes use of the concept of complex trajectories. Various phenomena such as the absorption along the classical trajectory or the penetration in the classicaly forbidden region can be described in this way. The third chapter deals with the time dependent phenomena in the context of the TDHF theory. The complete formalism is presented, together with a review of the most important theoretical results. In the fourth chapter the nuclear well collision model is presented. This model makes possible the calculation of the elastic, inelastic or transfer reaction probabilities in a microscopic way with no adjustable parameters. Finally in a fifth chapter, various statistical models are developped for the study of deep inelastic collisions [fr

Radiative electron capture by channeled ions

International Nuclear Information System (INIS)

Pitarke, J.M.; Ritchie, R.H.; Tennessee Univ., Knoxville, TN

1989-01-01

Considerable experimental data have been accumulated relative to the emission of photons accompanying electron capture by swift, highly stripped atoms penetrating crystalline matter under channeling conditions. Recent data suggest that the photon energies may be less than that expected from simple considerations of transitions from the valence band of the solid to hydrogenic states on the moving ion. We have studied theoretically the impact parameter dependence of the radiative electron capture (REC) process, the effect of the ion's wake and the effect of capture from inner shells of the solid on the photon emission probability, using a statistical approach. Numerical comparisons of our results with experiment are made. 13 refs., 6 figs

Experimental and theoretical data on ion-molecule-reactions relevant for plasma modelling

International Nuclear Information System (INIS)

Hansel, A.; Praxmarer, C.; Lindinger, W.

1995-01-01

Despite the fact that the rate coefficients of hundreds of ion-molecule-reactions have been published in the literature, much more data are required for the purpose of plasma modelling. Many ion molecule reactions have rate coefficients, k, as large as the collisional limiting value, k c , i.e. the rate coefficients k c at which ion-neutral collision complexes are formed are close to the actual rate coefficients observed. In the case of the interaction of an ion with a non polar molecule, k c , is determined by the Langevin limiting value k L being typically 10 -9 cm 3 s -1 . However, when ions react with polar molecules k c is predicted by the average dipole orientation (ADO) theory. These classical theories yield accurate rate coefficients at thermal and elevated temperatures for practically all proton transfer as well as for many charge transfer and hydrogen abstraction reactions. The agreement between experimental and calculated values is usually better than ±20% and in the case of proton transfer reactions the agreement seems to be even better as recent investigations have shown. Even the interaction of the permanent ion dipole with non polar and polar neutrals can be taken into account to predict reaction rate coefficients as has been shown very recently in reactions of the highly polar ion ArH 3 + with various neutrals

EUV spectrum of highly charged tungsten ions in electron beam ion trap

International Nuclear Information System (INIS)

Sakaue, H.A.; Kato, D.; Murakami, I.; Nakamura, N.

2016-01-01

We present spectra of highly charged tungsten ions in the extreme ultra-violet (EUV) by using electron beam ion traps. The electron energy dependence of spectra was investigated for electron energy from 540 to 1370 eV. Previously unreported lines were presented in the EUV range, and comparing the wavelengths with theoretical calculations identified them. (author)

Interfacial behavior of perchlorate versus chloride ions in saturated aqueous salt solutions

Energy Technology Data Exchange (ETDEWEB)

Ghosal, S; Kuo, I W; Baer, M D; Bluhm, H

2009-04-14

In recent years combination of theoretical and experimental work have presented a novel view of the aqueous interface wherein hard and/or multiply charged ions are excluded from the interface, but large polarizable anions show interfacial enhancement relative to the bulk. The observed trend in the propensity of anions to adsorb at the air/water interface appears to be reverse of the Hofmeister series for anions. This study focuses on experimental and theoretical examination of the partitioning behavior of perchlorate (ClO{sub 4}{sup -}) and chloride (Cl{sup -}) ions at the air/water interface. We have used ambient pressure X-ray photoelectron spectroscopy technique to directly probe the interfacial concentrations of ClO{sub 4}{sup -} and Cl{sup -} ions in sodium perchlorate and sodium chloride solutions, respectively. Experimental observations are compared with first principles molecular dynamics simulations. Both experimental and simulation results show enhancement of ClO{sub 4}{sup -} ion at the interface, compared with the absence of such enhancement in the case of Cl{sup -} ion. These observations are in agreement with the expected trend in the interfacial propensity of anions based on the Hofmeister series.

Study on the hydrogen negative ion in low pressure discharges

International Nuclear Information System (INIS)

Bruneteau, A.M.

1983-07-01

A new use of negative hydrogen ions is the production of intense fast neutral atom beams useful in plasma heating in thermonuclear heating. That is one of the reasons that started this study. The density of negative hydrogen ions in diffusion, and multipole-type low pressure (10 -3 - 10-2 Torr) discharges is deduced from the various formation and destruction processes of the species present in these discharges. The H - ions are essentially produced by dissociative attachment to vibrationally excited molecules and destroyed by processes the relative importance of which is discussed as a function of the discharge parameters. The experimental study of the density of the H - ions, measured by photodetachment, as a function of these parameters, coroborates the theoretical model [fr

A fluorescent sensor based on dansyl-diethylenetriamine-thiourea conjugate: a through theoretical investigation

International Nuclear Information System (INIS)

Nguyen Khoa Hien; Nguyen Thi Ai Nhung; Duong Tuan Quang; Ho Quoc Dai; Nguyen Tien Trung

2015-01-01

A new dansyl-diethylenetriamine-thiourea conjugate (DT) for detection of Hg 2+ ions in aqueous solution has been theoretically designed and compared to our previously published results. The synthetic path, the optimized geometric structure and the characteristics of the DT were found by the theoretical calculations at the B3LYP/LanL2DZ level. Accordingly, the DT can react with Hg 2+ ion to form a product with quenched fluorescence. It is remarkable that the experimental results are in an excellent agreement with the theoretically evaluated data. (author)

Investigations of electrostatic ion waves in a collisionless plasma

International Nuclear Information System (INIS)

Michelsen, P.

1980-06-01

The author reviews a series of publications concerning theoretical and experimental investigations of electrostatic ion waves in a collisionless plasma. The experimental work was performed in the Risoe Q-machine under various operational conditions. Besides a description of this machine and the diagnostic techniques used for the measurements, two kinds of electrostatic waves are treated, namely, ion-acoustic waves and ion-cyclotron waves. Due to the relative simplicity of the ion-acoustic waves, these were treated in detail in order to get a more general understanding of the behaviour of the propagation properties of electrostatic waves. The problem concerning the difficulties in describing waves excited at a certain position and propagating in space by a proper mathematical model was especially considered in depth. Furthermore, ion-acoustic waves were investigated which propagated in a plasma with a density gradient, and afterwards in a plasma with an ion beam. Finally, a study of the electrostatic ion-cyclotron waves was undertaken, and it was shown that these waves were unstable in a plasma traversed by an ion beam. (Auth.)

Physics of ion sputtering

International Nuclear Information System (INIS)

Robinson, M.T.

1984-04-01

The ejection of atoms by the ion bombardment of solids is discussed in terms of linear collision cascade theory. A simple argument describes the energies of the ejecta, but elaborate models are required to obtain accurate sputtering yields and related quantities. These include transport theoretical models based on linearized Boltzmann equations, computer simulation models based on the binary collision approximation, and classical many-body dynamical models. The role of each kind of model is discussed. Several aspects of sputtering are illustrated by results from the simulation code MARLOWE. 20 references, 6 figures

Dispersion relation of Raman FEL with helical Wiggler and ion channel

International Nuclear Information System (INIS)

Hosseinalinezhad, M.; Bahmani, M.; Hasanbeigi, A.; Salehkoutahi, M.

2012-01-01

In this paper the theory of free electron laser with helical wiggler and ion channel guiding has been presented. The equations of motion for an electron have been analyzed. A formula for the dispersion relation is then derived in the low-gain-per-pass limit. The results of a numerical study of the growth rate enhancement due to the ion channel are presented and discussed.

New lithium-ion conducting perovskite oxides related to (Li, La)TiO3

Indian Academy of Sciences (India)

Unknown

We describe the synthesis and lithium-ion conductivity of new perovskite-related oxides ... work on lithium-ion conducting perovskite oxides containing d0 cations. Keywords. ..... On the other hand, Nb/Ta compounds show a higher conductivity.

Ion rarefaction waves and associated phenomena

International Nuclear Information System (INIS)

Coates, A.J.

1982-01-01

This thesis contains an experimental and theoretical study of the response of a plasma to the motion of the positive space-charge sheath which bounds it . It is known theoretically that, if a sheath edge is moved at a speed less than the speed of ion acoustic waves, a region of ion rarefaction propagates into the plasma at the ion acoustic speed. Some calculations are described which include the effects of an initial presheath by constructing a one-dimensional plasma solution where a production term balances the losses of ions to the walls. The plasma response to the motion of one boundary is found using the method of characteristics with appropriate boundary conditions. Ion rarefaction waves are associated with expanding sheaths while ion 'enhancement' waves (compressive features) are formed on sheath collapse. In each case the wavefront moves at the local ion acoustic speed which includes the effects of ion drift. The presence of the presheath is essential to the generation of enhancements. The constructional details of a multidipole device are discussed, and the results of Langmuir probe and ion acoustic wave experiments are used to determine the parameters of a quiescent argon plasma. Some experiments on moving sheaths in such a plasma are then considered. (author)

Theoretical Status of the RHIC Program

International Nuclear Information System (INIS)

Jalilian-Marian, Jamal

2006-01-01

Since the beginning of its operation, the Relativistic Heavy Ion Collider (RHIC) at the Brookhaven National Lab has produced a wealth of exciting and interesting results. I give a brief overview of the theoretical aspects of the main results from the RHIC program

Theoretical and experimental investigations of the damage and activation of pure iron under irradiation with energetic light ions

International Nuclear Information System (INIS)

Daum, E.

1996-10-01

In this report the applicability of light ion simulation irradiations with respect to the displacement damage under fusion neutron irradiation is investigated by theoretical and experimental activities. The production of primary knock-on atoms (PKA) and the displacement of lattice atoms (DPA) under proton and α-particle irradiation is considered in pure iron. The main focus is put on the effect of the non-elastic processes which are characterized by nuclear reactions and taken into account quantitatively for the first time. The profiles of the non-elastic PKA spectra can be characterized by the excitation functions of the corresponding nuclear reactions and by the mean recoil ranges of the residue nuclides. In this framework the excitation functions of proton- and α-particle-induced nuclear reactions leading to the long-lived nuclides from 57 Ni to 47 Sc are measured. The short-lived nuclides 53 Fe g , 53 Fe m , 52 Mn m and 52 V are investigated for the first time. The mean recoil ranges of the non-elastic PKA are experimentally determined by the same method. Based on theoretical calculations with nuclear and range models, non-elastic PKA spectra are obtained for all open reaction channels. (orig./WL)

Theoretical Studies of Electron Interaction with Molecular Ions and Mutual Neutralization - HeH and BeH

International Nuclear Information System (INIS)

Larson, Asa

2012-01-01

sections for these reactions are significant also at relative low energies. In order to perform an ab intitio, quantum description of the MN reaction in collisions between Be + + H - structure calculations of potentials and non-adiabatic interactions are needed using a full CI with a very large basis set. Up to 12 states of 2 Σ + symmetry are needed and couplings out to 60a 0 have to be computed. Plans: The plan for the next coming period of this CRP is to study high energy DR of HeH + for different vibrational states of the target ion. The branching ratios and ion-pair formation will be computed. Mutual neutralization will be studied in collisions between He + + H - . Another reaction that will be investigated is the direct DE of HeH + . We investigate a new theoretical approach to study the direct DE reactions. The direct DE of HeH + and He 2 + will be investigated. For BeH + we plan to include the rotational motion of the system in the MQDT treatment of DR. Mutual neutralization in collisions Be + + H - can be studied using a semiclassical method. Direct and resonant dissociative excitation of He 2 + will be computed. Another interesting reaction is DR of BeH 2 + . To study this reaction quantum mechanically including all degrees of freedom and all relevant states, however, is very demanding and it is not clear how relevant this ion is for the plasma. (author)

Measurements of inelastic collisions between homonuclear ions: Na+, K+ and Rb+

International Nuclear Information System (INIS)

Peart, B.; Forrest, R.A.; Dolder, K.

1981-01-01

Cross sections have been measured for the formation of X 2+ by collisions between X + ions (X = Na, K or Rb) with centre of mass energies between 19.3 and 87.6 keV. The results were compared with similar measurements for Li + and Cs + previously made by Peart and coworkers (J. Phys. B.; 14:1655 and 3457 (1981)), but no simple empirical or theoretical scaling law could be found to relate results for the five single-charged alkali ions. (author)

THEORETICAL ESSAY ABOUT THE RELATION BETWEEN FINANCIAL LEVERAGE AND INVESTMENT IN BRAZILIAN COMPANIES

Directory of Open Access Journals (Sweden)

Aline Midori Kuroda

2015-12-01

Full Text Available The quest for understanding the relationship between the capital structure and investment decisions resulted in many different authors contribution. In the Brazilian economic scenario, an empirical study performed by Albuquerque and Matias (2013 identified the existence of a strong negative relation between finance leverage and investment in Brazilian public companies. The purpose of this study was to investigate whether the theory of finance supports these empirical findings or if there is a discrepancy between the practical behavior and the theoretical rules. To this end, it was performed a bibliographic research of scientific works related with this theme, among them Carneiro, Salles and Wu (2006, Hadlock and Pierce (2010 and Dang (2011. The methodology of this research can be classified as exploratory, according to its purpose, qualitative in terms of approach and bibliographical considering its technical procedures. All the developed analysis led to the formulation of six theoretical propositions that support the relation between financial leverage and investment. The negative and positive effects of debt were considered according to growth opportunities, the supply of credit in the Brazilian context, the raising of risk and cost of capital and the allocation of resources obtained through external funding. Briefly, it can be concluded that these six theoretical propositions could serve as the fundamentals of the relation in question, two being based on the under-investment and overinvestment theories and the other four, on the Brazilian financial market aspects. All of them must be considered in the decision making of a financial manager, especially the related with the financing options.

Theoretical and Experimental Investigation of Pyridyl thiourea Derivatives As Ionophores For Cu(II) Ion Detection

International Nuclear Information System (INIS)

Wan Mohd Khairul; Mohd Faizuddin Abu Hasan; Adibah Izzati Daud; Adibah Izzati Daud; Hafiza Mohamed Zuki; Ku Halim Ku Bulat; Maisara Abdul Kadir

2016-01-01

Copper (II) ion chemical sensors based on pyridine-thiourea derivatives; N-pyridyl-N ' -(biphenyl-4-carbonyl)thiourea (L1), and N-pyridyl-N ' -(3,5-dimethy oxybenzoyl)thiourea (L2) were synthesised, characterised, and studied as ionophores in the form of thin-films PVC membranes. The ionophores exhibited good responses towards copper (II) ion over the concentration range of 2 x 10 -4 to 10 x 10 -4 M with a limit of detection 1.34 x 10 -5 to 1.48 x 10 -5 M. The proposed sensors L1 and L2 revealed good performance in term of reproducibility and regeneration of the ionophores with low relative standard deviation (RSD) values 4.17 % and 2.74 % respectively. Besides, quantum chemical calculation performed using Gaussian 09 program indicated the oxygen (O) atom from carbonyl moiety (C=O) was the most favourite reactive site and mainly responsible for ionophore Cu(II) interaction. The obtained data revealed pyridine-thiourea derivatives offered great potential as ionophore for the detection of Cu (II) ion. (author)

Summary Report of Consultants' Meeting on Accuracy of Experimental and Theoretical Nuclear Cross-Section Data for Ion Beam Analysis and Benchmarking

International Nuclear Information System (INIS)

Abriola, Daniel; Dimitriou, Paraskevi; Gurbich, Alexander F.

2013-11-01

A summary is given of a Consultants' Meeting assembled to assess the accuracy of experimental and theoretical nuclear cross-section data for Ion Beam Analysis and the role of benchmarking experiments. The participants discussed the different approaches to assigning uncertainties to evaluated data, and presented results of benchmark experiments performed in their laboratories. They concluded that priority should be given to the validation of cross- section data by benchmark experiments, and recommended that an experts meeting be held to prepare the guidelines, methodology and work program of a future coordinated project on benchmarking.

Relation between plasmons and the valence-band density-of-states in polymethylmethacrylate - influence of ion irradiation on damage selectivity

International Nuclear Information System (INIS)

Moliton, J.P.; Jussiaux, C.; Trigaud, T.; Lazzaroni, R.; Lhost, O.; Bredas, J.L.; Kihn, Y.; Sevely, J.

1996-01-01

A physical model is presented that aims at rationalizing the selectivity of bond breakage observed when polymethylmethacrylate is irradiated by ions in the 10-500 keV energy range. This model, previously proposed by Brandt and Ritchie, is based on electronic collective effects. The coupling between the pure plasma oscillation at omega(p) and the oscillation of free electrons at [omega(k0)(2)](1/2) makes the whole electronic population resonant at the frequency omega(rp) = (omega(p)(2) + [omega(k0)(2)])(1/2). By computing the valence-band density of states, we calculate [omega(k0)(2)] and then deduce the theoretical value of omega(rp). On the other hand, we provide an experimental measurement of omega(rp) and study its dependence on ion fluence by electron-energy-loss spectroscopy. The validity of the model of Brandt and Ritchie is then discussed in the light of both theoretical and experimental data. (author)

Laser-induced electron--ion recombination used to study enhanced spontaneous recombination during electron cooling

International Nuclear Information System (INIS)

Schramm, U.; Wolf, A.; Schuess ler, T.; Habs, D.; Schwalm, D.; Uwira, O.; Linkemann, J.; Mueller, A.

1997-01-01

Spontaneous recombination of highly charged ions with free electrons in merged velocity matched electron and ion beams has been observed in earlier experiments to occur at rates significantly higher than predicted by theoretical estimates. To study this enhanced spontaneous recombination, laser induced recombination spectra were measured both in velocity matched beams and in beams with well defined relative velocities, corresponding to relative electron-ion detuning energies ranging from 1 meV up to 6.5 meV where the spontaneous recombination enhancement was found to be strongly reduced. Based on a comparison with simplified calculations, the development of the recombination spectra for decreasing detuning energies indicates additional contributions at matched velocities which could be related to the energy distribution of electrons causing the spontaneous recombination rate enhancement

Bibliography on electron transfer processes in ion-ion/atom/molecule collisions (updated 1993)

International Nuclear Information System (INIS)

Tawara, H.

1993-04-01

Following our previous compilations [IPPJ-AM-45 (1986), NIFS-DATA-7 (1990)], bibliographic information on experimental and theoretical studies on electron transfer processes in ion-ion/atom/molecule collisions is up-dated. The references published through 1980-1992 are included. For easy finding references for particular combination of collision partners, a simple list is also provided. (author) 1542 refs

Theoretical perspective on RHIC [relativistic heavy ion collider] physics

International Nuclear Information System (INIS)

Dover, C.B.

1990-10-01

We discuss the status of the relativistic heavy ion collider (RHIC) project at Brookhaven, and assess some key experiments which propose to detect the signatures of a transient quark-gluon plasma (QGP) phase in such collisions. 24 refs

Gyro-viscosity and linear dispersion relations in pair-ion magnetized plasmas

Energy Technology Data Exchange (ETDEWEB)

Kono, M. [Faculty of Policy Studies, Chuo University, Tokyo 192-0393 (Japan); Vranjes, J. [Instituto de Astrofisica de Canarias, Tenerife E38205 (Spain); Departamento de Astrofisica, Universidad de La Laguna, Tenerife E38205 (Spain)

2015-11-15

A fluid theory has been developed by taking account of gyro-viscosity to study wave propagation characteristics in a homogeneous pair-ion magnetized plasma with a cylindrical symmetry. The exact dispersion relations derived by the Hankel-Fourier transformation are shown comparable with those observed in the experiment by Oohara and co-workers. The gyro-viscosity is responsible for the change in propagation characteristics of the ion cyclotron wave from forward to backward by suppressing the effect of the thermal pressure which normally causes the forward nature of dispersion. Although the experiment has been already explained by a kinetic theory by the present authors, the kinetic derivations are so involved because of exact particle orbits in phase space, finite Lamor radius effects, and higher order ion cyclotron resonances. The present fluid theory provides a simple and transparent structure to the dispersion relations since the gyro-viscosity is renormalized into the ion cyclotron frequency which itself indicates the backward nature of dispersion. The usual disadvantage of a fluid theory, which treats only fundamental modes of eigen-waves excited in a system and is not able to describe higher harmonics that a kinetic theory does, is compensated by simple derivations and clear picture based on the renormalization of the gyro-viscosity.

Perspective on the Role of Negative Ions and Ion-Ion Plasmas in Heavy Ion Fusion Science, Magnetic Fusion Energy,and Related Fields

International Nuclear Information System (INIS)

Grisham, L.R.; Kwan, J.W.

2008-01-01

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.

Perspective on the Role of Negative Ions and Ion-Ion Plasmas in Heavy Ion Fusion Science, Magnetic Fusion Energy, and Related Fields

International Nuclear Information System (INIS)

Grisham, L.R.; Kwan, J.W.

2008-01-01

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

Stopping power and range relations for low and high Z ions in solids: a critical analysis

International Nuclear Information System (INIS)

Virk, H.S.; Randhawa, G.S.

1997-01-01

A critical analysis of various stopping power and range formulations has been made by comparing the calculated stopping power and range values with corresponding experimental values for different low Z (1≤Z≤8) and high Z projectiles (54≤Z≤92) in different targets, e.g. Be, C, Al, Au, Pb, CR-39, Lexan, Mylar, LR-115, CH, (CH)n, TRIFOL-TN, etc. atvarious low and high energies. A comparative study has been made by taking into consideration different target and projectile combinations, e.g., heavy ion-light target, light ion-heavy target and light ion -light target etc., Overall the Ziegler formulation (TRIM-95) provides the best agreement with the experimental results for all projectile and target combinations except for heavy ion-light target combination where it underestimates the stopping power data and overestimates the range data in the range, 2-50 MeV/u. Mukherjee and Nayak formulation totally fails at relativistic and low energies of the projectile, irrespective of the projectile-target combination. Northcliffe and Schilling formulation does not show any particular trend. Benton and Henke formulation gives good agreement between experimental and theoretical data within the range of experimental errors. (orig.)

Electronic structure and related properties of ferrocyanide ion calculated by the SCF Xα-scattered wave method

International Nuclear Information System (INIS)

Guenzburger, D.; Maffeo, B.; Siqueira, M.L. de

1975-08-01

The SCF-XαSW method is used to calculate the electronic structure of the ferrocyanide ion. Optical transitions and X-Ray photoelectron emission are obtained from the energy level scheme and compared with experimental results. The charge density in the Fe nucleus is also computed and the result is correlated with isomer shift measurements made on this and other Fe complexes for which theoretical calculations have been performed

Theoretical studies of spin-Hamiltonian parameters of Mo{sup 5+} ion doped in K{sub 2}SnCl{sub 6} crystal

Energy Technology Data Exchange (ETDEWEB)

Fang, Wang, E-mail: mailfangwang@163.com; Yang, Da-Xiao; Chen, Heng-Jie; Tang, Hai-Yan

2013-11-15

The spin-Hamiltonian (SH) parameters (g factors g{sub //}, g{sub ⊥} and hyperfine structure constants A{sub //}, A{sub ⊥} ) of K{sub 2}SnCl{sub 6}: Mo{sup 5+} (4d{sup 1}) crystal are theoretically studied by the use of two microscopic spin-Hamiltonian (SH) methods, the high-order perturbation theory method (PTM) and the complete diagonalization (of energy matrix) method (CDM) within the molecular orbital (MO) scheme. The contributions arising both from the crystal field and charge transfer excitations are taken into account. The investigations show that the charge transfer mechanism plays a decisive role in the understanding of the spin-Hamiltonian (SH) parameters for 4d{sup 1} ions in crystals with the strong coordinate covalence, especially for g{sub //}>g{sub ⊥} which cannot be explained in the frame work of traditional crystal field approximation (CFA). The local defect structure around Mo{sup 5+} impurity ion center is determined to be D{sub 4} {sub h} point group symmetry.

From heavy ions to exotic atoms

OpenAIRE

Indelicato, Paul; Trassinelli, Martino

2005-01-01

We review a number of experiments and theoretical calculations on heavy ions and exotic atoms, which aim at providing informations on fundamental interactions. Among those are propositions of experiments for parity violation measurements in heavy ions and high-precision mesurements of He-like transition energies in highly charged ions. We also describe recent experiments on pionic atoms, that make use of highly-charged ion transitions to obtain accurate measurements of strong interaction shif...

Direct processes in heavy ion reactions

International Nuclear Information System (INIS)

Bunakov, V.E.; Zagrebaev, V.I.

1983-01-01

Direct processes in heavy ion reactions are investigated. Relative theoretical contributions in the inclusive spectrum of α particles on processes of stripping breakup and inelastic breakup are estimated using the 22 Ne+ 181 Ta reaction as an example. The consideration is performed taking into account Coulomb and nuclear distortions in the inlet and outlet ion channels. It is shown that the hard edge of α spectrum and its maximum are well described by peripheral direct processes. The hard spectrum edge is conditioned by the pure process of ''incomplete fussion'' bringing about the production af a compound nucleus. The main part of inclusive spectrum is conditioned by reactions of inelastic and elastic breakup not connected with the production of a compound nucleus

Guided ion beam and theoretical studies of the bond energy of SmS+

Science.gov (United States)

Armentrout, P. B.; Demireva, Maria; Peterson, Kirk A.

2017-12-01

Previous work has shown that atomic samarium cations react with carbonyl sulfide to form SmS+ + CO in an exothermic and barrierless process. To characterize this reaction further, the bond energy of SmS+ is determined in the present study using guided ion beam tandem mass spectrometry. Reactions of SmS+ with Xe, CO, and O2 are examined. Results for collision-induced dissociation processes with all three molecules along with the endothermicity of the SmS+ + CO → Sm+ + COS exchange reaction are combined to yield D0(Sm+-S) = 3.37 ± 0.20 eV. The CO and O2 reactions also yield a SmSO+ product, with measured endothermicities that indicate D0(SSm+-O) = 3.73 ± 0.16 eV and D0(OSm+-S) = 1.38 ± 0.27 eV. The SmS+ bond energy is compared with theoretical values characterized at several levels of theory, including CCSD(T) complete basis set extrapolations using all-electron basis sets. Multireference configuration interaction calculations with explicit spin-orbit calculations along with composite thermochemistry using the Feller-Peterson-Dixon method and all-electron basis sets were also explored for SmS+, and for comparison, SmO, SmO+, and EuO.

Theoretical modeling of magnesium ion imprints in the Raman scattering of water.

Science.gov (United States)

Kapitán, Josef; Dracínský, Martin; Kaminský, Jakub; Benda, Ladislav; Bour, Petr

2010-03-18

Hydration envelopes of metallic ions significantly influence their chemical properties and biological functioning. Previous computational studies, nuclear magnetic resonance (NMR), and vibrational spectra indicated a strong affinity of the Mg(2+) cation to water. We find it interesting that, although monatomic ions do not vibrate themselves, they cause notable changes in the water Raman signal. Therefore, in this study, we used a combination of Raman spectroscopy and computer modeling to analyze the magnesium hydration shell and origin of the signal. In the measured spectra of several salts (LiCl, NaCl, KCl, MgCl(2), CaCl(2), MgBr(2), and MgI(2) water solutions), only the spectroscopic imprint of the hydrated Mg(2+) cation could clearly be identified as an exceptionally distinct peak at approximately 355 cm(-1). The assignment of this band to the Mg-O stretching motion could be confirmed on the basis of several models involving quantum chemical computations on metal/water clusters. Minor Raman spectral features could also be explained. Ab initio and Fourier transform (FT) techniques coupled with the Car-Parrinello molecular dynamics were adapted to provide the spectra from dynamical trajectories. The results suggest that even in concentrated solutions magnesium preferentially forms a [Mg(H(2)O)(6)](2+) complex of a nearly octahedral symmetry; nevertheless, the Raman signal is primarily associated with the relatively strong metal-H(2)O bond. Partially covalent character of the Mg-O bond was confirmed by a natural bond orbital analysis. Computations on hydrated chlorine anion did not provide a specific signal. The FT techniques gave good spectral profiles in the high-frequency region, whereas the lowest-wavenumber vibrations were better reproduced by the cluster models. Both dynamical and cluster computational models provided a useful link between spectral shapes and specific ion-water interactions.

Prompt loss of beam ions in KSTAR plasmas

Directory of Open Access Journals (Sweden)

Jun Young Kim

2016-10-01

Full Text Available For a toroidal plasma facility to realize fusion energy, researching the transport of fast ions is important not only due to its close relation to the heating and current drive efficiencies but also to determine the heat load on the plasma-facing components. We present a theoretical analysis and orbit simulation for the origin of lost fast-ions during neutral beam injection (NBI heating in Korea Superconducting Tokamak Advanced Research (KSTAR device. We adopted a two-dimensional phase diagram of the toroidal momentum and magnetic moment and describe detectable momentums at the fast-ion loss detector (FILD position as a quadratic line. This simple method was used to model birth ions deposited by NBI and drawn as points in the momentum phase space. A Lorentz orbit code was used to calculate the fast-ion orbits and present the prompt loss characteristics of the KSTAR NBI. The scrape-off layer deposition of fast ions produces a significant prompt loss, and the model and experimental results closely agreed on the pitch-angle range of the NBI prompt loss. Our approach can provide wall load information from the fast ion loss.

Viscous photons in relativistic heavy ion collisions

International Nuclear Information System (INIS)

Dion, Maxime; Paquet, Jean-Francois; Young, Clint; Jeon, Sangyong; Gale, Charles; Schenke, Bjoern

2011-01-01

Theoretical studies of the production of real thermal photons in relativistic heavy ion collisions at the Relativistic Heavy Ion Collider (RHIC) are performed. The space-time evolution of the colliding system is modelled using music, a 3+1D relativistic hydrodynamic simulation, using both its ideal and viscous versions. The inclusive spectrum and its azimuthal angular anisotropy are studied separately, and the relative contributions of the different photon sources are highlighted. It is shown that the photon v 2 coefficient is especially sensitive to the details of the microscopic dynamics like the equation of state, the ratio of shear viscosity over entropy density, η/s, and to the morphology of the initial state.

Heavy-ion radiography

International Nuclear Information System (INIS)

Fabrikant, J.I.; Tobias, C.A.; Holley, W.R.; Benton, E.V.; Woodruff, K.H.; MacFarland, E.W.

1983-01-01

High energy, heavy-ion beams offer superior discrimination of tissue electron densities at very low radiation doses. This characteristic has potential for diagnostic medical imaging of neoplasms arising in the soft tissues and organs because it can detect smaller inhomogeneities than x rays. Heavy-ion imaging may also increase the accuracy of cancer radiotherapy planning involving use of accelerated charged particles. In the current physics research program of passive heavy-ion imaging, critical modulation transfer function tests are being carried out in heavy-ion projection radiography and heavy-ion computerized tomography. The research goal is to improve the heavy-ion imaging method until it reaches the limits of its theoretical resolution defined by range straggling, multiple scattering, and other factors involved in the beam quality characteristics. Clinical uses of the imaging method include the application of heavy-ion computerized tomography to heavy-ion radiotherapy planning, to the study of brain tumors and other structures of the head, and to low-dose heavy-ion projection mammography, particularly for women with dense breasts where other methods of diagnosis fail. The ions used are primarily 300 to 570 MeV/amu carbon and neon ions accelerated at the Lawrence Berkeley Laboratory Bevalac

The heavy ion injection scheme for RHIC [Relativistic Heavy Ion Collider

International Nuclear Information System (INIS)

Rhoades-Brown, M.J.

1989-01-01

The Relativistic Heavy Ion Collider (RHIC) at Brookhaven has a multi-component injection system. The Collider requires very heavy ions such as 79 197 Au to be injected fully stripped of atomic electrons, at a kinetic energy of approximately 10 GeV/nucleon. However, the heavy ions are produced initially at a negative ion source and accelerated first in a 15 MV Tandem. These partially stripped ions have a kinetic energy of approximately 1 MeV/nucleon on leaving the Tandem. In order to achieve the injection requirements for RHIC, the partially stripped ions are accelerated in the Booster (currently under construction) and pass through a stripping foil on their way to the Alternating Gradient Synchrotron (AGS), where they are further accelerated before injection into RHIC. Recent theoretical calculations have shown quite convincingly that very heavy ions with 2 electrons in the filled K-shell may be accelerated with negligible loss in the AGS. 13 refs., 3 figs., 3 tabs

Correlation between experimental data of protonation of aromatic compounds at (+) atmospheric pressure photoionization and theoretically calculated enthalpies.

Science.gov (United States)

Ahmed, Arif; Lim, Dongwon; Choi, Cheol Ho; Kim, Sunghwan

2017-06-30

The theoretical enthalpy calculated from the overall protonation reaction (electron transfer plus hydrogen transfer) in positive-mode (+) atmospheric-pressure photoionization (APPI) was compared with experimental results for 49 aromatic compounds. A linear relationship was observed between the calculated ΔH and the relative abundance of the protonated peak. The parameter gives reasonable predictions for all the aromatic hydrocarbon compounds used in this study. A parameter is devised by combining experimental MS data and high-level theoretical calculations. A (+) APPI Q Exactive Orbitrap mass spectrometer was used to obtain MS data for each solution. B3LYP exchange-correlation functions with the standard 6-311+G(df,2p) basis set was used to perform density functional theory (DFT) calculations. All the molecules with ΔH toluene clusters produced protonated ions, regardless of the desolvation temperature. For molecules with ΔH >0, molecular ions were more abundant at typical APPI desolvation temperatures (300°C), while the protonated ions became comparable or dominant at higher temperatures (400°C). The toluene cluster size was an important factor when predicting the ionization behavior of aromatic hydrocarbon ions in (+) APPI. The data used in this study clearly show that the theoretically calculated reaction enthalpy (ΔH) of protonation with toluene dimers can be used to predict the protonation behavior of aromatic compounds. When compounds have a negative ΔH value, the types of ions generated for aromatic compounds could be very well predicted based on the ΔH value. The ΔH can explain overall protonation behavior of compounds with ΔH values >0. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

Dust ion-acoustic shock waves in magnetized pair-ion plasma with kappa distributed electrons

Science.gov (United States)

Kaur, B.; Singh, M.; Saini, N. S.

2018-01-01

We have performed a theoretical and numerical analysis of the three dimensional dynamics of nonlinear dust ion-acoustic shock waves (DIASWs) in a magnetized plasma, consisting of positive and negative ion fluids, kappa distributed electrons, immobile dust particulates along with positive and negative ion kinematic viscosity. By employing the reductive perturbation technique, we have derived the nonlinear Zakharov-Kuznetsov-Burgers (ZKB) equation, in which the nonlinear forces are balanced by dissipative forces (associated with kinematic viscosity). It is observed that the characteristics of DIASWs are significantly affected by superthermality of electrons, magnetic field strength, direction cosines, dust concentration, positive to negative ions mass ratio and viscosity of positive and negative ions.

Negative Ion Density Fronts

International Nuclear Information System (INIS)

Igor Kaganovich

2000-01-01

Negative ions tend to stratify in electronegative plasmas with hot electrons (electron temperature Te much larger than ion temperature Ti, Te > Ti ). The boundary separating a plasma containing negative ions, and a plasma, without negative ions, is usually thin, so that the negative ion density falls rapidly to zero-forming a negative ion density front. We review theoretical, experimental and numerical results giving the spatio-temporal evolution of negative ion density fronts during plasma ignition, the steady state, and extinction (afterglow). During plasma ignition, negative ion fronts are the result of the break of smooth plasma density profiles during nonlinear convection. In a steady-state plasma, the fronts are boundary layers with steepening of ion density profiles due to nonlinear convection also. But during plasma extinction, the ion fronts are of a completely different nature. Negative ions diffuse freely in the plasma core (no convection), whereas the negative ion front propagates towards the chamber walls with a nearly constant velocity. The concept of fronts turns out to be very effective in analysis of plasma density profile evolution in strongly non-isothermal plasmas

Exit points, on plasma, of lost fast ions during NBI in TJ-II

International Nuclear Information System (INIS)

Guasp, J.

1995-09-01

The distribution of the exit points, on plasma border, for the lost fast ions during tangential balanced NBI in TJ-II helical axis Stellarator is theoretically analysed, as well for direct as for delayed losses. The link between the position of those exit points and the corresponding at birth, orbits and drifts is analysed also, it is shown that such relation is rather independent of beam energy and plasma density and is mainly related to the magnetic configuration characteristics. This study is a needed intermediate step to the analysis of impacts of those ions on the vacuum vessel of TJ-II

Electron beam based transversal profile measurements of intense ion beams

International Nuclear Information System (INIS)

El Moussati, Said

2014-01-01

A non-invasive diagnostic method for the experimental determination of the transverse profile of an intense ion beam has been developed and investigated theoretically as well as experimentally within the framework of the present work. The method is based on the deflection of electrons when passing the electromagnetic field of an ion beam. To achieve this an electron beam is employed with a specifically prepared transversal profile. This distinguish this method from similar ones which use thin electron beams for scanning the electromagnetic field [Roy et al. 2005; Blockland10]. The diagnostic method presented in this work will be subsequently called ''Electron-Beam-Imaging'' (EBI). First of all the influence of the electromagnetic field of the ion beam on the electrons has been theoretically analyzed. It was found that the magnetic field causes only a shift of the electrons along the ion beam axis, while the electric field only causes a shift in a plane transverse to the ion beam. Moreover, in the non-relativistic case the magnetic force is significantly smaller than the Coulomb one and the electrons suffer due to the magnetic field just a shift and continue to move parallel to their initial trajectory. Under the influence of the electric field, the electrons move away from the ion beam axis, their resulting trajectory shows a specific angle compared to the original direction. This deflection angle practically depends just on the electric field of the ion beam. Thus the magnetic field has been neglected when analysing the experimental data. The theoretical model provides a relationship between the deflection angle of the electrons and the charge distribution in the cross section of the ion beam. The model however only can be applied for small deflection angles. This implies a relationship between the line-charge density of the ion beam and the initial kinetic energy of the electrons. Numerical investigations have been carried out to clarify the

Relative ion expansion velocity in laser-produced plasmas

International Nuclear Information System (INIS)

Goldsmith, S.; Moreno, J.C.; Griem, H.R.; Cohen, L.; Richardson, M.C.

1988-01-01

The spectra of highly ionized titanium, TiXIII through TiXXI, and CVI Lyman lines were excited in laser-produced plasmas. The plasma was produced by uniformly irradiating spherical glass microballoons coated with thin layers of titanium and parylene. The 24-beam Omega laser system produced short, 0.6 ns, and high intensity, 4 x 10 14 W/cm, 2 laser pulses at a wavelength of 351 nm. The measured wavelength for the 2p-3s TiXIII resonance lines had an average shift of +0.023 A relative to the CVI and TiXX spectral lines. No shift was found between the CVI, TiXIX, and TiXX lines. The shift is attributed to a Doppler effect, resulting from a difference of (2.6 +- 0.2) x 10 7 cm/s in the expansion velocities of TiXIX and TiXX ions compared to TiXIII ions

Recent US advances in ion-beam-driven high energy density physics and heavy ion fusion

International Nuclear Information System (INIS)

Logan, B.G.; Bieniosek, F.M.; Celata, C.M.; Coleman, J.; Greenway, W.; Henestroza, E.; Kwan, J.W.; Lee, E.P.; Leitner, M.; Roy, P.K.; Seidl, P.A.; Vay, J.-L.; Waldron, W.L.; Yu, S.S.; Barnard, J.J.; Cohen, R.H.; Friedman, A.; Grote, D.P.; Kireeff Covo, M.; Molvik, A.W.; Lund, S.M.; Meier, W.R.; Sharp, W.; Davidson, R.C.; Efthimion, P.C.; Gilson, E.P.; Grisham, L.; Kaganovich, I.D.; Qin, H.; Sefkow, A.B.; Startsev, E.A.; Welch, D.; Olson, C.

2007-01-01

During the past two years, significant experimental and theoretical progress has been made in the US heavy ion fusion science program in longitudinal beam compression, ion-beam-driven warm dense matter, beam acceleration, high brightness beam transport, and advanced theory and numerical simulations. Innovations in longitudinal compression of intense ion beams by >50X propagating through background plasma enable initial beam target experiments in warm dense matter to begin within the next two years. We are assessing how these new techniques might apply to heavy ion fusion drivers for inertial fusion energy

Stopping power for heavy ions in low energy region

International Nuclear Information System (INIS)

Kitagawa, Mitsuo

1983-01-01

Review is made for the study on the power for stopping heavy ions. The studies on the power for stopping heavy ions passing through materials have been developed in the last twenty years due to the accuracy improvement in the data analysis of the power for stopping light ions, the requirement of data establishment on the power for stopping heavy ions from fusion research and the development of the experimental studies by heavy-ion accelerators. The relation between the analysis of the power for stopping heavy ions and the power for stopping light ions is described from the standpoint that the results on the power for stopping light ions serve as the guide for the study on the power for stopping heavy ions. Both at present and in future. The analysis of stopping power data with the accuracy from +-10 to 20 % is possible from the theoretical analysis of effective electric charge and its systematic table of the numerical data. The outline of the scaling rule on effective electric charge is discussed. The deviation of the experimental data from the scaling rule is discussed by comparing with the measured values of effective electric charge ratio. Various analyses of the power for stopping heavy ions are summarized. (Asami, T.)

Molecular approach of uranyl/mineral surfaces: theoretical approach

International Nuclear Information System (INIS)

Roques, J.

2009-01-01

As migration of radio-toxic elements through the geosphere is one of the processes which may affect the safety of a radioactive waste storage site, the author shows that numerical modelling is a support to experimental result exploitation, and allows the development of new interpretation and prediction codes. He shows that molecular modelling can be used to study processes of interaction between an actinide ion (notably a uranyl ion) and a mineral surface (a TiO 2 substrate). He also reports the predictive theoretical study of the interaction between an uranyl ion and a gibbsite substrate

Plasma flow measurement using directional Langmuir probe under weakly ion-magnetized conditions

Energy Technology Data Exchange (ETDEWEB)

Nagaoka, Kenichi; Okamoto, Atsushi [Graduate School of Science, Nagoya Univ., Nagoya (Japan); Yoshimura, Shinji; Tanaka, Masayoshi Y. [National Inst. for Fusion Science, Toki, Gifu (Japan)

2000-07-01

It is both experimentally and theoretically demonstrated that ion flow velocity at an arbitrary angle with respect to the magnetic field can be measured with a directional Langmuir probe. Based on the symmetry argument, we show that the effect of magnetic field on directional probe current is exactly canceled in determining the ion flow velocity, and obtain the generalized relation between flow velocity and directional probe currents valid for any flowing direction. The absolute value of the flow velocity is determined by an in situ calibration method of the probe. The applicability limit of the present method to a strongly ion-magnetized plasma is experimentally examined. (author)

Improvements in or relating to ion sources

International Nuclear Information System (INIS)

Clampitt, R.; Jefferies, D.K.

1980-01-01

An improved type of single-point source of metal ions is described. The source comprises an electrode with at least one non-hollow component made of a material which is wettable and non-corrosible by the liquid whose ions are to be emitted by the source. The radius of curvature of the termination of the electrode is such that a jet of the liquid material will be anchored to it under the influence of an electric field. Although the sources described are for lithium ions in particular and alkali metal ions in general, such sources can be used for other materials. (U.K.)

Experimental and theoretical study of heavy ion slowing down in solid targets

International Nuclear Information System (INIS)

Mehana, A.

1993-06-01

Heavy ion energy losses in C, Al, Cu, Ag, Ta and Au solid targets have been measured at high energy (0.2 to 5 MeV/u), using the backward secondary ion technique, and at low energy (0.1 to 0.25 MeV/u) for the C, N and O ions, using the particle backscatter method. A brief review of the various matter-induced charged particle slowing down theories, and especially the Lindhard dielectric theory, is first presented. Then, the various models for the evaluation of the effective charge and of the high order correction, are discussed and compared. Experimental techniques and data processing methods are described, and the experimental results are compared to calculations derived from the dielectric theory. In particular, the effective charges and the high order corrections (Barkas-Bloch) are examined and compared to the models for the determination of the z 3 and z 4 terms for heavy ions

0.5 to 6 MeV Ar ion induced X-ray emission in view to analytical application

International Nuclear Information System (INIS)

Tenorio Castilleros, M.D.

1979-01-01

A study of the X-ray emission induced by 0.5 to 6 MeV Ar ions has been realized in view of multielemental analytical applications. The historical development of the use of heavy ion induced X-ray emission in analysis and the theoretical background of inner-shell ionization in heavy ion-atom collisions are described. The emission of non characteristic X-rays and the effects related to the penetration of heavy ions in matter are also related. The experimental part contains a description of the experimental devices and of the X-ray spectra fitting method. Thick target yields as a function of the target Z and the Ar ion energy are reported. The analytical possibilities are examined and an application to the analysis of Si and Cl in cadmium telluride crystals is given [fr

Bibliography on electron transfer processes in ion-ion/atom/molecule collisions, updated 1990

International Nuclear Information System (INIS)

Tawara, H.

1990-08-01

Following a previous compilation, new bibliographic information on experimental and theoretical studies on electron transfer processes in ion-ion/atom/molecule collisions is up-dated. The references published through 1989 are surveyed. For easy finding references for particular combination of collision partners, a simple list is also provided. Furthermore, for convenience, a copy of the previous compilation (IPPJ-AM-45 (1986)) is included. (author) 1363 refs

Alkynylcarbenium ions and related unsaturated cations

Energy Technology Data Exchange (ETDEWEB)

Lukyanov, Sergey M; Koblik, Alla V; Muradyan, Lyudmila A [Institute of Physical and Organic Chemistry, Rostov State University, Rostov-on-Don (Russian Federation)

1998-10-31

Published data on carbenium ions containing carbon-carbon triple bonds both directly conjugated with the carbenium centre and separated from it are surveyed and described systematically. Ammonium, diazonium, iminium, phosphonium and iodonium cations containing alkynyl groups, which can be regarded as heteroanalogues of alkynylcarbenium ions, are also considered. The bibliography includes 283 references.

Alkynylcarbenium ions and related unsaturated cations

International Nuclear Information System (INIS)

Lukyanov, Sergey M; Koblik, Alla V; Muradyan, Lyudmila A

1998-01-01

Published data on carbenium ions containing carbon-carbon triple bonds both directly conjugated with the carbenium centre and separated from it are surveyed and described systematically. Ammonium, diazonium, iminium, phosphonium and iodonium cations containing alkynyl groups, which can be regarded as heteroanalogues of alkynylcarbenium ions, are also considered. The bibliography includes 283 references

Department of Theoretical Physics - Overview

International Nuclear Information System (INIS)

Kwiecinski, J.

2002-01-01

Full text: Research activity of the Department of Theoretical Physics concerns theoretical high energy and elementary particle physics, intermediate energy particle physics, theoretical nuclear physics, theory of nuclear matter, theory of quark-gluon plasma and of relativistic heavy ion collisions, theoretical astrophysics and general physics. There is some emphasis on the phenomenological applications of the theoretical research yet the more formal problems are also considered. The detailed summary of the research projects and of the results obtained in various fields is given in the abstracts. Our Department successfully collaborates with other Departments of the Institute as well as with several scientific institutions both in Poland and abroad. In particular, members of our Department participate in the EC network which allows for the mobility of researchers. Several members of our Department have also participated in the research projects funded by the State Committee for Scientific Research. Besides pure research, members of our Department are also involved in graduate and undergraduate teaching activity both at our Institute and at other academic institutions in Cracow. At present, eight students are working towards their Ph.D. degrees under the supervision of senior members of the Department. (author)

Department of Theoretical Physics - Overview

International Nuclear Information System (INIS)

Kwiecinski, J.

2001-01-01

Full text: Research activity of the Department of Theoretical Physics concerns theoretical high-energy and elementary particle physics, intermediate energy particle physics, theoretical nuclear physics, theory of nuclear matter, theory of quark-gluon plasma and relativistic heavy-ion collisions, theoretical astrophysics and general physics. There is some emphasis on the phenomenological applications of the theoretical research yet more formal problems are also considered. A detailed summary of the research projects and of the results obtained in various field is given in the abstracts. Our Department actively collaborates with other Departments of the Institute as well as with several scientific institutions both in Poland and abroad. In particular, members of our Department participate in the EC network, which stimulates the mobility of researchers. Several members of our Department also participated in the research projects funded by the Polish Committee for Scientific Research (KBN). Besides pure research, members of our Department are also involved in graduate and up graduate teaching activity at our Institute as well as at other academic institution in Cracow. At present nine students are working on their Ph.D. degrees under the supervision of senior members of the Department. (author)

Exit points, on plasma, of lost fast ions during NBI in TJ-II; Puntos de salida en el plasma de los iones rapidos durante NBI en el TJ-II

Energy Technology Data Exchange (ETDEWEB)

Guasp, J.

1995-07-01

The distribution of the exit points, on plasma border, for the lost fast ions during tangential balanced NBI in TJ-II helical axis Stellarator is theoretically analysed, as well for direct as for delayed losses. The link between, the position of those exit points and the corresponding at birth, orbits and drifts is analysed also. It is shown that such relation is rather independent of beam energy and plasma density and is mainly related to the magnetic configuration characteristics. This study is a needed intermediate step to the analysis of impacts of those ions on the vacuum vessel of TJ-II. (Author) 2 refs.

Development of versatile multiaperture negative ion sources

Energy Technology Data Exchange (ETDEWEB)

Cavenago, M.; Minarello, A.; Sattin, M. [INFN-LNL, v.le dell' Universita n 2, I-35020, Legnaro (PD) Italy (Italy); Serianni, G.; Antoni, V.; Bigi, M.; Pasqualotto, R.; Recchia, M.; Veltri, P.; Agostinetti, P.; Barbisan, M.; Baseggio, L.; Cervaro, V.; Degli Agostini, F.; Franchin, L.; Laterza, B.; Ravarotto, D.; Rossetto, F.; Zaniol, B.; Zucchetti, S. [Consorzio RFX, Associazione Euratom-ENEA sulla fusione, c.so S. Uniti 4, 35127 Padova (Italy); and others

2015-04-08

Enhancement of negative ion sources for production of large ion beams is a very active research field nowadays, driven from demand of plasma heating in nuclear fusion devices and accelerator applications. As a versatile test bench, the ion source NIO1 (Negative Ion Optimization 1) is being commissioned by Consorzio RFX and INFN. The nominal beam current of 135 mA at −60 kV is divided into 9 beamlets, with multiaperture extraction electrodes. The plasma is sustained by a 2 MHz radiofrequency power supply, with a standard matching box. A High Voltage Deck (HVD) placed inside the lead shielding surrounding NIO1 contains the radiofrequency generator, the gas control, electronics and power supplies for the ion source. An autonomous closed circuit water cooling system was installed for the whole system, with a branch towards the HVD, using carefully optimized helical tubing. Insulation transformer is installed in a nearby box. Tests of several magnetic configurations can be performed. Status of experiments, measured spectra and plasma luminosity are described. Upgrades of magnetic filter, beam calorimeter and extraction grid and related theoretical issues are reviewed.

Negative ion formation and neutralization processes, (1)

International Nuclear Information System (INIS)

Sugiura, Toshio

1982-01-01

This review has been made preliminary for the purpose of contribute to the plasma heating by ''negative ion based neutral beam injection'' in the magnetic confinement fusion reactor. A compilation includes the survey of the general processes of negative ion formation, the data of the cross section of H - ion formation and the neutralization of H - ion, and some of new processes of H - ion formation. The data of cross section are mainly experimental, but partly include the results of theoretical calculation. (author)

Principles of fuel ion ratio measurements in fusion plasmas by collective Thomson scattering

DEFF Research Database (Denmark)

Stejner Pedersen, Morten; Nielsen, Stefan Kragh; Bindslev, Henrik

2011-01-01

ratio. Measurements of the fuel ion ratio will be important for plasma control and machine protection in future experiments with burning fusion plasmas. Here we examine the theoretical basis for fuel ion ratio measurements by CTS. We show that the sensitivity to plasma composition is enhanced......For certain scattering geometries collective Thomson scattering (CTS) measurements are sensitive to the composition of magnetically confined fusion plasmas. CTS therefore holds the potential to become a new diagnostic for measurements of the fuel ion ratio—i.e. the tritium to deuterium density...... by the signatures of ion cyclotron motion and ion Bernstein waves which appear for scattering geometries with resolved wave vectors near perpendicular to the magnetic field. We investigate the origin and properties of these features in CTS spectra and give estimates of their relative importance for fuel ion ratio...

Health-related quality of life after carbon-ion radiotherapy for prostate cancer. A 3-year prospective study

International Nuclear Information System (INIS)

Katoh, Hiroyuki; Tsuji, Hiroshi; Ishikawa, Hitoshi

2014-01-01

To assess 3-year health-related quality of life of patients treated with carbon ion radiotherapy for prostate cancer. A total of 213 patients received carbon-ion radiotherapy at a total dose of 66 Gy equivalent in 20 fractions over 5 weeks, and neoadjuvant and adjuvant androgen deprivation therapy were administered for high-risk patients for at least 12 months. A health-related quality of life assessment was carried out at four time-points (immediately before the initiation of carbon-ion radiotherapy, immediately after, 12 and 36 months after completion of carbon-ion radiotherapy) using Functional Assessment of Cancer Therapy General and for Prostate Cancer Patients. The evaluable response rates among all responses were more than 94%. Overall, a significant decrease in the scores of the health-related quality of life 12 months after carbon-ion radiotherapy returned to their baseline levels at 36 months. Additionally, no significant decrease was observed in the scores at any of the assessment time-points compared with their baseline scores in the group of carbon-ion radiotherapy without androgen deprivation therapy; however, the presence of morbidity and biochemical failure significantly worsened the scores, and the decreases in the scores did not improve even at 36 months after carbon-ion radiotherapy. An assessment based on a subjective scoring system shows a significant decrease in health-related quality of life at 12 months after carbon-ion radiation therapy, which tends to return to baseline levels at 36 months. The presence of morbidity and bio-chemical failure significantly worsen health-related quality of life scores. Further controlled studies focusing on health-related quality of life assessment in patients with prostate cancer are warranted. (author)

Some developments in polarized ion sources

International Nuclear Information System (INIS)

Witteveen, G.J.

1979-01-01

Investigations concerning an atomic beam source are presented and a new polarized ion source of a more universal type is introduced. Polarized and unpolarized beams of positively or negatively charged ions can be produced with this new version and the theoretical limits are a polarized negative hydrogen ion beam with an intensity of about 1 mH and a polarized proton beam with an intensity of 10 mH. (C.F.)

Theoretical Probing of Weak Anion-Cation Interactions in Certain Pyridinium-Based Ionic Liquid Ion Pairs and the Application of Molecular Electrostatic Potential in Their Ionic Crystal Density Determination: A Comparative Study Using Density Functional Approach.

Science.gov (United States)

Joseph, Aswathy; Thomas, Vibin Ipe; Żyła, Gaweł; Padmanabhan, A S; Mathew, Suresh

2018-01-11

A comprehensive study on the structure, nature of interaction, and properties of six ionic pairs of 1-butylpyridinium and 1-butyl-4-methylpyridinium cations in combination with tetrafluoroborate (BF 4 - ), chloride (Cl - ), and bromide (Br - ) anions have been carried out using density functional theory (DFT). The anion-cation interaction energy (ΔE int ), thermochemistry values, theoretical band gap, molecular orbital energy order, DFT-based chemical activity descriptors [chemical potential (μ), chemical hardness (η), and electrophilicity index (ω)], and distribution of density of states (DOS) of these ion pairs were investigated. The ascendancy of the -CH 3 substituent at the fourth position of the 1-butylpyridinium cation ring on the values of ΔE int , theoretical band gap and chemical activity descriptors was evaluated. The ΔE int values were negative for all six ion pairs and were highest for Cl - containing ion pairs. The theoretical band gap value after -CH 3 substitution increased from 3.78 to 3.96 eV (for Cl - ) and from 2.74 to 2.88 eV (for Br - ) and decreased from 4.9 to 4.89 eV (for BF 4 - ). Ion pairs of BF 4 - were more susceptible to charge transfer processes as inferred from their significantly high η values and comparatively small difference in ω value after -CH 3 substitution. The change in η and μ values due to the -CH 3 substituent is negligibly small in all cases except for the ion pairs of Cl - . Critical-point (CP) analyses were carried out to investigate the AIM topological parameters at the interionic bond critical points (BCPs). The RDG isosurface analysis indicated that the anion-cation interaction was dominated by strong H cat ···X ani and C cat ···X ani interactions in ion pairs of Cl - and Br - whereas a weak van der Waal's effect dominated in ion pairs of BF 4 - . The molecular electrostatic potential (MESP)-based parameter ΔΔV min measuring the anion-cation interaction strength showed a good linear correlation with

Database and Related Activities in Japan

International Nuclear Information System (INIS)

Murakami, Izumi; Kato, Daiji; Kato, Masatoshi; Sakaue, Hiroyuki A.; Kato, Takako; Ding, Xiaobin; Morita, Shigeru; Kitajima, Masashi; Koike, Fumihiro; Nakamura, Nobuyuki; Sakamoto, Naoki; Sasaki, Akira; Skobelev, Igor; Tsuchida, Hidetsugu; Ulantsev, Artemiy; Watanabe, Tetsuya; Yamamoto, Norimasa

2011-01-01

We have constructed and made available atomic and molecular (AM) numerical databases on collision processes such as electron-impact excitation and ionization, recombination and charge transfer of atoms and molecules relevant for plasma physics, fusion research, astrophysics, applied-science plasma, and other related areas. The retrievable data is freely accessible via the internet. We also work on atomic data evaluation and constructing collisional-radiative models for spectroscopic plasma diagnostics. Recently we have worked on Fe ions and W ions theoretically and experimentally. The atomic data and collisional-radiative models for these ions are examined and applied to laboratory plasmas. A visible M1 transition of W 26+ ion is identified at 389.41 nm by EBIT experiments and theoretical calculations. We have small non-retrievable databases in addition to our main database. Recently we evaluated photo-absorption cross sections for 9 atoms and 23 molecules and we present them as a new database. We established a new association ''Forum of Atomic and Molecular Data and Their Applications'' to exchange information among AM data producers, data providers and data users in Japan and we hope this will help to encourage AM data activities in Japan.

12th International workshop on Inelastic Ion-Surface Collisions.Final report

International Nuclear Information System (INIS)

Rabalais, J.W.; Nordlander, P.

1999-01-01

The twelfth international workshop on inelastic ion surface collisions was held at the Bahia Mar Resort and Conference Center on South Padre Island, Texas (USA) from January 24-29, 1999. The workshop brought together most of the leading researchers from around the world to focus on both the theoretical and experimental aspects of particle - surface interactions and related topics

Ion beam assisted film growth

CERN Document Server

Itoh, T

2012-01-01

This volume provides up to date information on the experimental, theoretical and technological aspects of film growth assisted by ion beams.Ion beam assisted film growth is one of the most effective techniques in aiding the growth of high-quality thin solid films in a controlled way. Moreover, ion beams play a dominant role in the reduction of the growth temperature of thin films of high melting point materials. In this way, ion beams make a considerable and complex contribution to film growth. The volume will be essential reading for scientists, engineers and students working in thi

Radioluminescence of synthetic quartz related to alkali ions

Energy Technology Data Exchange (ETDEWEB)

Martini, M., E-mail: m.martini@unimib.it [Dipartimento di Scienza dei Materiali, Universita degli Studi di Milano Bicocca, Via Cozzi 53, I-20125 Milano (Italy); INFN-Sezione di Milano Bicocca, Via Cozzi 53, I-20125 Milano (Italy); Fasoli, M. [Dipartimento di Scienza dei Materiali, Universita degli Studi di Milano Bicocca, Via Cozzi 53, I-20125 Milano (Italy); Galli, A. [Dipartimento di Scienza dei Materiali, Universita degli Studi di Milano Bicocca, Via Cozzi 53, I-20125 Milano (Italy); Istituto di Fotonica e Nanostrutture, IFN-CNR (Italy); Villa, I. [Dipartimento di Scienza dei Materiali, Universita degli Studi di Milano Bicocca, Via Cozzi 53, I-20125 Milano (Italy); Guibert, P. [IRAMAT-CRP2A (Institut de recherche sur les Archeomateriaux), UMR no. 5060, CNRS-Universite Bordeaux III, F-33607 Pessac (France)

2012-04-15

The radioluminescence (RL) of synthetic quartzes (GEMMA Quartz and Crystal Company) has been measured at room temperature. Some samples were treated by electrodiffusion ('sweeping') in order to change the concentrations of alkali ions, mainly Li{sup +} and Na{sup +}, which in quartz are known to be linked to Al ions, substitutional for Si ions. The RL emission spectra show evidence of a role of alkali ions in affecting some specific emissions. All the spectra could be analysed as composed of four bands in the blue and UV region. Specifically, the well known blue emission at around 470 nm was seen to be composed by two bands at 430 nm (2.86 eV) and at 485 nm (2.53 eV). Effects of irradiation, during the RL measurements, were clearly seen only in the 'Li swept in' sample, namely an increase in the 485 nm band intensity and a decrease in the 430 nm band one. The previously reported UV emission was detected at 355 nm (3.44 eV) in all the samples, being the most intense band in the 'swept out' sample. A further UV emission was detected at 315 nm (3.94 eV), more intense in untreated samples. Possible assignments of the detected emission bands are discussed in relation to the defects of quartz, specifically focusing on the Al centres that are most affected by sweeping procedures. - Highlights: Black-Right-Pointing-Pointer Contribution to the understanding of relationships between defects in quartz and luminescence emissions. Black-Right-Pointing-Pointer Role of charge compensators at substitutional Al sites in the optical properties of quartz. Black-Right-Pointing-Pointer Evidence of the double nature of the 'blue emission' (around 470 nm).

Variation in shoot tolerance mechanisms not related to ion toxicity in barley

KAUST Repository

Tilbrook, Joanne

2017-09-27

Soil salinity can severely reduce crop growth and yield. Many studies have investigated salinity tolerance mechanisms in cereals using phenotypes that are relatively easy to measure. The majority of these studies measured the accumulation of shoot Na+ and the effect this has on plant growth. However, plant growth is reduced immediately after exposure to NaCl before Na+ accumulates to toxic concentrations in the shoot. In this study, nondestructive and destructive measurements are used to evaluate the responses of 24 predominately Australian barley (Hordeum vulgare L.) lines at 0, 150 and 250mMNaCl. Considerable variation for shoot tolerance mechanisms not related to ion toxicity (shoot ion-independent tolerance) was found, withsome lines being able to maintain substantial growth rates under salt stress, whereas others stopped growing. Hordeum vulgare spp. spontaneum accessions and barley landraces predominantly had the best shoot ion independent tolerance, although two commercial cultivars, Fathom and Skiff, also had high tolerance. The tolerance of cv. Fathom may be caused by a recent introgression from H. vulgare L. spp. spontaneum. This study shows that the most salt-tolerant barley lines are those that contain both shoot ion-independent tolerance and the ability to exclude Na+ from the shoot (and thus maintain high K+: Na+ ratios).

Variation in shoot tolerance mechanisms not related to ion toxicity in barley

KAUST Repository

Tilbrook, Joanne; Schilling, Rhiannon K.; Berger, Bettina; Garcia, Alexandre F.; Trittermann, Christine; Coventry, Stewart; Rabie, Huwaida; Brien, Chris; Nguyen, Martin; Tester, Mark A.; Roy, Stuart J.

2017-01-01

Soil salinity can severely reduce crop growth and yield. Many studies have investigated salinity tolerance mechanisms in cereals using phenotypes that are relatively easy to measure. The majority of these studies measured the accumulation of shoot Na+ and the effect this has on plant growth. However, plant growth is reduced immediately after exposure to NaCl before Na+ accumulates to toxic concentrations in the shoot. In this study, nondestructive and destructive measurements are used to evaluate the responses of 24 predominately Australian barley (Hordeum vulgare L.) lines at 0, 150 and 250mMNaCl. Considerable variation for shoot tolerance mechanisms not related to ion toxicity (shoot ion-independent tolerance) was found, withsome lines being able to maintain substantial growth rates under salt stress, whereas others stopped growing. Hordeum vulgare spp. spontaneum accessions and barley landraces predominantly had the best shoot ion independent tolerance, although two commercial cultivars, Fathom and Skiff, also had high tolerance. The tolerance of cv. Fathom may be caused by a recent introgression from H. vulgare L. spp. spontaneum. This study shows that the most salt-tolerant barley lines are those that contain both shoot ion-independent tolerance and the ability to exclude Na+ from the shoot (and thus maintain high K+: Na+ ratios).

Bibliography on electron transfer processes in ion-ion/atom/molecule collisions. Updated 1997

International Nuclear Information System (INIS)

Tawara, H.

1997-04-01

Following our previous compilations (IPPJ-AM-45 (1986), NIFS-DATA-7 (1990), NIFS-DATA-20 (1993)), bibliographic information on experimental and theoretical studies on electron transfer processes in ion-ion/atom/molecule collisions is up-dated. The references published through 1954-1996 are listed in the order of the publication year. For easy finding of the references for a combination of collision partners, a simple list is provided. (author)

Atom probe field ion microscopy and related topics: A bibliography 1993

Energy Technology Data Exchange (ETDEWEB)

Godfrey, R.D.; Miller, M.K.; Russell, K.F.

1994-10-01

This bibliography, covering the period 1993, includes references related to the following topics: atom probe field ion microscopy (APFIM), field emission (FE), and field ion microscopy (FIM). Technique-oriented studies and applications are included. The references contained in this document were compiled from a variety of sources including computer searches and personal lists of publications. To reduce the length of this document, the references have been reduced to the minimum necessary to locate the articles. The references are listed alphabetically by authors, an Addendum of references missed in previous bibliographies is included.

Atom probe field ion microscopy and related topics: A bibliography 1993

International Nuclear Information System (INIS)

Godfrey, R.D.; Miller, M.K.; Russell, K.F.

1994-10-01

This bibliography, covering the period 1993, includes references related to the following topics: atom probe field ion microscopy (APFIM), field emission (FE), and field ion microscopy (FIM). Technique-oriented studies and applications are included. The references contained in this document were compiled from a variety of sources including computer searches and personal lists of publications. To reduce the length of this document, the references have been reduced to the minimum necessary to locate the articles. The references are listed alphabetically by authors, an Addendum of references missed in previous bibliographies is included

Generation of H-, D- ions on composite surfaces with application to surface/plasma ion source systems

International Nuclear Information System (INIS)

Hiskes, J.R.; Karo, A.M.; Wimmer, E.; Freeman, A.J.; Chubb, S.R.

1983-01-01

We review some salient features of the experimental and theoretical data pertaining to hydrogen negative ion generation on minimum-work-function composite surfaces consisting of Cs/transition metal substrates. Cesium or hydrogen ion bombardment of a cesium-activated negatively-biased electrode exposed to a cesium-hydrogen discharge results in the release of hydrogen negative ions. These ions originate through desorbtion of hydrogen particles by incident cesium ions, desorbtion by incident hydrogen ions, and by backscattering of incident hydrogen. Each process is characterized by a specific energy and angular distribution. The calculation of ion formation in the crystal selvage region is discussed for different approximations to the surface potential. An ab initio, all-electron, local density functional model for the composite surface electronics is discussed

Range-energy relation, range straggling and response function of CsI(Tl), BGO and GSO(Ce) scintillators for light ions

CERN Document Server

Avdeichikov, V; Jakobsson, B; Rodin, A M; Ter-Akopian, G M

2000-01-01

Range-energy relations and range straggling of sup 1 sup , sup 2 sup , sup 3 H and sup 4 sup , sup 6 He isotopes with the energy approx 50A MeV are measured for the CsI(Tl), BGO and GSO(Ce) scintillators with an accuracy better than 0.2% and 5%, respectively. The Si-Sci/PD telescope was exposed to secondary beams from the mass separator ACCULINNA. The experimental technique is based on the registration of the 'jump' in the amplitude of the photodiode signal for ions passing through the scintillation crystal. Light response of the scintillators for ions 1<=Z<=4 is measured in energy range (5-50)A MeV, the results are in good agreement with calculations based on Birks model. The energy loss straggling for particles with DELTA E/E=0.01-0.50 and mass up to A=10 in 286 mu m DELTA E silicon detector is studied and compared with theoretical prescriptions. The results allow a precise absolute calibration of the scintillation crystal and to optimize the particle identification by the DELTA E-E(Sci/PD) method.

Basic atomic interactions of accelerated heavy ions in matter atomic interactions of heavy ions

CERN Document Server

Tolstikhina, Inga; Winckler, Nicolas; Shevelko, Viacheslav

2018-01-01

This book provides an overview of the recent experimental and theoretical results on interactions of heavy ions with gaseous, solid and plasma targets from the perspective of atomic physics. The topics discussed comprise stopping power, multiple-electron loss and capture processes, equilibrium and non-equilibrium charge-state fractions in penetration of fast ion beams through matter including relativistic domain. It also addresses mean charge-states and equilibrium target thickness in ion-beam penetrations, isotope effects in low-energy electron capture, lifetimes of heavy ion beams, semi-empirical formulae for effective cross sections. The book is intended for researchers and graduate students working in atomic, plasma and accelerator physics.

Frequency threshold for ion beam formation in expanding RF plasma

Science.gov (United States)

Chakraborty Thakur, Saikat; Harvey, Zane; Biloiu, Ioana; Hansen, Alex; Hardin, Robert; Przybysz, William; Scime, Earl

2008-11-01

We observe a threshold frequency for ion beam formation in expanding, low pressure, argon helicon plasma. Mutually consistent measurements of ion beam energy and density relative to the background ion density obtained with a retarding field energy analyzer and laser induced fluorescence indicate that a stable ion beam of 15 eV appears for source frequencies above 11.5 MHz. Reducing the frequency increases the upstream beam amplitude. Downstream of the expansion region, a clear ion beam is seen only for the higher frequencies. At lower frequencies, large electrostatic instabilities appear and an ion beam is not observed. The upstream plasma density increases sharply at the same threshold frequency that leads to the appearance of a stable double layer. The observations are consistent with the theoretical prediction that downstream electrons accelerated into the source by the double layer lead to increased ionization, thus balancing the higher loss rates upstream [1]. 1. M. A. Lieberman, C. Charles and R. W. Boswell, J. Phys. D: Appl. Phys. 39 (2006) 3294-3304

Exit points, on plasma, of lost fast ions during NBI in TJ-II

International Nuclear Information System (INIS)

Guasp, J.

1995-01-01

The distribution of the exit points, on plasma border, for the lost fast ions during tangential balanced NBI in TJ-II helical axis Stellarator is theoretically analysed, as well for direct as for delayed losses. The link between, the position of those exit points and the corresponding at birth, orbits and drifts is analysed also. It is shown that such relation is rather independent of beam energy and plasma density and is mainly related to the magnetic configuration characteristics. This study is a needed intermediate step to the analysis of impacts of those ions on the vacuum vessel of TJ-II. (Author) 2 refs

Energy Reflection Coefficients for 5-10 keV He Ions Incident on Au, Ag, and Cu

DEFF Research Database (Denmark)

Schou, Jørgen; Sørensen, H.; Littmark, U.

1978-01-01

The calorimetric deuterium-film method was used for measurements of the energy reflection coefficient γ for normal incidence of 5-10 keV He ions on Cu, Ag and Au. A theoretical calculation of γ by means of transport theory gives fair agreement with the experimental results. The experimental data...... the experimental and theoretical results for the He ions are in acceptable agreement with other experimental and theoretical results. For He ions, the experimental γ-values are 20-30% above the values for hydrogen ions for the same value of ε...

Effect of ion and ion-beam mass ratio on the formation of ion-acoustic solitons in magnetized plasma in the presence of electron inertia

International Nuclear Information System (INIS)

Kalita, B. C.; Barman, S. N.

2009-01-01

The propagation of ion-acoustic solitary waves in magnetized plasma with cold ions and ion-beams together with electron inertia has been investigated theoretically through the Korteweg-de Vries equation. Subject to the drift velocity of the ion beam, the existence of compressive solitons is found to become extinct as α (=cold ion mass/ion-beam mass) tends to 0.01 when γ=0.985 (γ is the beam velocity/phase velocity). Interestingly, a transitional direction of propagation of solitary waves has been unearthed for change over, from compressive solitons to rarefactive solitons based on α and σ υ (=cosine of the angle θ made by the wave propagation direction ξ with the direction of the magnetic field) for fixed Q(=electron mass/ion mass). Further, the direction of propagation of ion-acoustic waves is found to be the deterministic factor to admit compressive or rarefactive solitons subject to beam outsource.

The mobility of negative ions in superfluid 3He

International Nuclear Information System (INIS)

Solomaa, M.

1982-01-01

This article reviews recent experimental and theoretical work on the mobility of negative ions in the superfluid A and B phases of liquid 3 He. In the normal Fermi liquid at temperatures below approximately 50 mK and also in the superfluid close to the superfluid transition temperature, Tsub(c), the mobility of a negative ion may simply be considered as limited by the elastic scattering of 3 He quasiparticles. This explains the constancy of the ion mobility in the normal phase. However, underlying the rapid increase of the measured mobility in the superfluid phases there is a subtle quantum-mechanical scattering effect. Detailed solutions of the 3 He quasiparticle-negative ion scattering process in the pair-correlated state provide a simple physical picture of an energy-dependent forward-peaking phenomenon. This yields quantitative theoretical results for the ion mobility in the quasi-isotropic B phase and for the ion mobility tensor in the anisotropic A phase which agree with the experimental data. (author)

Adsorption on mixtures of ion exchangers

International Nuclear Information System (INIS)

Triolo, R.; Lietzke, M.H.

1979-01-01

A theoretical study has been made of adsorption on mixtures of ion exchangers. The effect of variables such as the concentration of the ion being adsorbed, the concentration of the supporting electrolyte, loading, the values of the capacities and equilibrium constants for the various exchange processes, and the fraction of each adsorber in the mixture on the observed distribution coefficient has been investigated. A computer program has been written to facilitate the calculation of distribution coefficients for the adsorption of an ion on a given mixture of ion exchangers under a specified set of conditions

Sub-Poissonian statistics of quantum jumps in single molecule or atomic ion

International Nuclear Information System (INIS)

Osad'ko, I.S.; Gus'kov, D.N.

2007-01-01

A theory for statistics of quantum jumps in single molecule or ion driven by continues wave laser field is developed. These quantum jumps can relate to nonradiative singlet-triplet transitions in a molecule or to on → off jumps in a single ion with shelving processes. Distribution function w N (T) of quantum jumps in time interval T is found. Computer simulation of quantum jumps is realized. Statistical treatment of simulated jumps reveals sub-Poissonian statistics of quantum jumps. The theoretical distribution function w N (T) fits well the distribution of jumps found from simulated data. Experimental data on quantum jumps found in experiments with single Hg + ion are described by the function w N (T) well

Electron capture by multicharged ions from hydrogen atoms at eV energies

International Nuclear Information System (INIS)

Havener, C.C.; Nesnidal, M.P.; Porter, M.R.; Phaneuf, R.A.

1990-01-01

To quantitatively study electron capture during collisions of multiply charged ions with neutral atoms at near-thermal energies, keV-energy multicharged ion beams are merged with ground-state beams of H or D atoms of chosen velocity such that collisions in the relative energy range 1--1000 eV/amu result. Recent data for O 3+ , O 4+ + H(D) are presented and compared with theoretical predictions. Recently completed modifications to the apparatus are described that will provide a significant improvement in signal-to-background and angular collection. These improvements will allow measurements to be extended to lower energies, where effects due to the ion-induced dipole attraction may be evident

Hybrid quantum systems of ions and atoms

OpenAIRE

Sias, Carlo; Köhl, Michael

2014-01-01

In this chapter we review the progress in experiments with hybrid systems of trapped ions and ultracold neutral atoms. We give a theoretical overview over the atom-ion interactions in the cold regime and give a summary of the most important experimental results. We conclude with an overview of remaining open challenges and possible applications in hybrid quantum systems of ions and neutral atoms.

Theoretical study of the electron stopping power in ion planar channeling

International Nuclear Information System (INIS)

Haymann, P.

1974-01-01

A theory recently developed by the authors for slow and fast electrons is shown to be also applicable to channeled ions and to explain the experimental results about electron loss phenomena as a whole. The theory is based on the fundamental hypothesis of the nonadiabaticity of the ion-target interactions. How essential an exponential form of the interaction pseudo-potential is in explaining the energy exchange mechanism at the walls may be deduced from a quasi-classical development of the quantum model. The theory also allows a number of new experiments to be envisaged in the field of surface electron states [fr

Experiments on Ion-Ion Plasmas From Discharges

Science.gov (United States)

Leonhardt, Darrin; Walton, Scott; Blackwell, David; Murphy, Donald; Fernsler, Richard; Meger, Robert

2001-10-01

Use of both positive and negative ions in plasma processing of materials has been shown to be advantageous[1] in terms of better feature evolution and control. In this presentation, experimental results are given to complement recent theoretical work[2] at NRL on the formation and decay of pulsed ion-ion plasmas in electron beam generated discharges. Temporally resolved Langmuir probe and mass spectrometry are used to investigate electron beam generated discharges during the beam on (active) and off (afterglow) phases in a variety of gas mixtures. Because electron-beam generated discharges inherently[3] have low electron temperatures (<0.5eV in molecular gases), negative ion characteristics are seen in the active as well as afterglow phases since electron detachment increases with low electron temperatures. Analysis of temporally resolved plasma characteristics deduced from these measurements will be presented for pure O_2, N2 and Ar and their mixtures with SF_6. Oxygen discharges show no noticeable negative ion contribution during the active or afterglow phase, presumably due to the higher energy electron attachment threshold, which is well above any electron temperature. In contrast, SF6 discharges demonstrate ion-ion plasma characteristics in the active glow and are completely ion-ion in the afterglow. Comparison between these discharges with published cross sections and production mechanisms will also be presented. [1] T.H. Ahn, K. Nakamura & H. Sugai, Plasma Sources Sci. Technol., 5, 139 (1996); T. Shibyama, H. Shindo & Y. Horiike, Plasma Sources Sci. Technol., 5, 254 (1996). [2] See presentation by R. F. Fernsler, at this conference. [3] D. Leonhardt, et al., 53rd Annual GEC, Houston, TX.

THEORETICAL AND LEGAL PERSPECTIVE ON CERTAIN TYPES OF LEGAL LIABILITY IN CRYPTOCURRENCY RELATIONS

OpenAIRE

Oleksii Drozd; Yaroslav Lazur; Ruslan Serbin

2017-01-01

The aim of this article is to study the theoretical, methodological, and legal possibilities of application of certain types of legal responsibility to the relations, which are connected with cryptocurrency (bitcoin). Some types of liability in the field of cryptocurrency relations make the subject of the study. Methodology. The research is based on a comparison of legal regulation of the sphere of cryptocurrency in Ukraine and in foreign countries. Advantages and disadvantages of different m...

Workshop summary. Biomedical and Space-Related Research with Heavy Ions at the BEVALAC

Science.gov (United States)

Schimmerling, W.; Curtis, S. B.

1989-01-01

The authors provide an overview of papers presented at a workshop on Biomedical and Space-Related Research with Heavy Ions at the BEVALAC at Lawrence Berkeley Laboratory. Goals of the meeting were to determine the critical experiments using heavy ions as probes in radiation physics, radiation chemistry, macromolecular and cellular biology, evolution science, basic neurophysiology, and medical therapies; how beam lines and facilities at Lawrence Berkeley Laboratory can be improved for these experiments; and implications in priorities and funding for national policy. Workshop topics included physics and facilities, cellular and molecular biology, tissue radiobiology, and the future of heavy ion research.

Graph Theory and Ion and Molecular Aggregation in Aqueous Solutions

Science.gov (United States)

Choi, Jun-Ho; Lee, Hochan; Choi, Hyung Ran; Cho, Minhaeng

2018-04-01

In molecular and cellular biology, dissolved ions and molecules have decisive effects on chemical and biological reactions, conformational stabilities, and functions of small to large biomolecules. Despite major efforts, the current state of understanding of the effects of specific ions, osmolytes, and bioprotecting sugars on the structure and dynamics of water H-bonding networks and proteins is not yet satisfactory. Recently, to gain deeper insight into this subject, we studied various aggregation processes of ions and molecules in high-concentration salt, osmolyte, and sugar solutions with time-resolved vibrational spectroscopy and molecular dynamics simulation methods. It turns out that ions (or solute molecules) have a strong propensity to self-assemble into large and polydisperse aggregates that affect both local and long-range water H-bonding structures. In particular, we have shown that graph-theoretical approaches can be used to elucidate morphological characteristics of large aggregates in various aqueous salt, osmolyte, and sugar solutions. When ion and molecular aggregates in such aqueous solutions are treated as graphs, a variety of graph-theoretical properties, such as graph spectrum, degree distribution, clustering coefficient, minimum path length, and graph entropy, can be directly calculated by considering an ensemble of configurations taken from molecular dynamics trajectories. Here we show percolating behavior exhibited by ion and molecular aggregates upon increase in solute concentration in high solute concentrations and discuss compelling evidence of the isomorphic relation between percolation transitions of ion and molecular aggregates and water H-bonding networks. We anticipate that the combination of graph theory and molecular dynamics simulation methods will be of exceptional use in achieving a deeper understanding of the fundamental physical chemistry of dissolution and in describing the interplay between the self-aggregation of solute

Graph Theory and Ion and Molecular Aggregation in Aqueous Solutions.

Science.gov (United States)

Choi, Jun-Ho; Lee, Hochan; Choi, Hyung Ran; Cho, Minhaeng

2018-04-20

In molecular and cellular biology, dissolved ions and molecules have decisive effects on chemical and biological reactions, conformational stabilities, and functions of small to large biomolecules. Despite major efforts, the current state of understanding of the effects of specific ions, osmolytes, and bioprotecting sugars on the structure and dynamics of water H-bonding networks and proteins is not yet satisfactory. Recently, to gain deeper insight into this subject, we studied various aggregation processes of ions and molecules in high-concentration salt, osmolyte, and sugar solutions with time-resolved vibrational spectroscopy and molecular dynamics simulation methods. It turns out that ions (or solute molecules) have a strong propensity to self-assemble into large and polydisperse aggregates that affect both local and long-range water H-bonding structures. In particular, we have shown that graph-theoretical approaches can be used to elucidate morphological characteristics of large aggregates in various aqueous salt, osmolyte, and sugar solutions. When ion and molecular aggregates in such aqueous solutions are treated as graphs, a variety of graph-theoretical properties, such as graph spectrum, degree distribution, clustering coefficient, minimum path length, and graph entropy, can be directly calculated by considering an ensemble of configurations taken from molecular dynamics trajectories. Here we show percolating behavior exhibited by ion and molecular aggregates upon increase in solute concentration in high solute concentrations and discuss compelling evidence of the isomorphic relation between percolation transitions of ion and molecular aggregates and water H-bonding networks. We anticipate that the combination of graph theory and molecular dynamics simulation methods will be of exceptional use in achieving a deeper understanding of the fundamental physical chemistry of dissolution and in describing the interplay between the self-aggregation of solute

On a New Theoretical Framework for RR Lyrae Stars. II. Mid-infrared Period–Luminosity–Metallicity Relations

Energy Technology Data Exchange (ETDEWEB)

Neeley, Jillian R.; Marengo, Massimo; Trueba, Nicolas [Department of Physics and Astronomy, Iowa State University, Ames, IA 50011 (United States); Bono, Giuseppe; Braga, Vittorio F.; Magurno, Davide [Department of Physics, Università di Roma Tor Vergara, via della Ricerca Scientifica 1, I-00133 Roma (Italy); Dall’Ora, Massimo; Marconi, Marcella [INAF-Osservatorio Astronomico di Capodimonte, Salita Moiarello 16, I-80131 Napoli (Italy); Tognelli, Emanuele; Moroni, Pier G. Prada [Dipartimento di Fisica, Università di Pisa, Lago Bruno Pontecorvo 3, I-56127, Pisa (Italy); Beaton, Rachael L.; Madore, Barry F.; Seibert, Mark [Carnegie Observatories, 813 Santa Barbara Street, Pasadena, CA 91101 (United States); Freedman, Wendy L. [Department of Astronomy and Astrophysics, University of Chicago, Chicago, IL 60637 (United States); Monson, Andrew J. [Department of Astronomy and Astrophysics, The Pennsylvania State University, 525 Davey Lab, University Park, PA 16802 (United States); Scowcroft, Victoria [Department of Physics, University of Bath, Claverton Down, Bath BA2 7AY (United Kingdom); Stetson, Peter B., E-mail: jrneeley@iastate.edu [NRC-Herzberg, Dominion Astrophysical Observatory, 5071 West Saanich Road, Victoria BC V9E 2E7 (Canada)

2017-06-01

We present new theoretical period–luminosity–metallicity (PLZ) relations for RR Lyræ stars (RRLs) at Spitzer and WISE wavelengths. The PLZ relations were derived using nonlinear, time-dependent convective hydrodynamical models for a broad range of metal abundances ( Z = 0.0001–0.0198). In deriving the light curves, we tested two sets of atmospheric models and found no significant difference between the resulting mean magnitudes. We also compare our theoretical relations to empirical relations derived from RRLs in both the field and in the globular cluster M4. Our theoretical PLZ relations were combined with multi-wavelength observations to simultaneously fit the distance modulus, μ {sub 0}, and extinction, A {sub V}, of both the individual Galactic RRL and of the cluster M4. The results for the Galactic RRL are consistent with trigonometric parallax measurements from Gaia ’ s first data release. For M4, we find a distance modulus of μ {sub 0} = 11.257 ± 0.035 mag with A {sub V}= 1.45 ± 0.12 mag, which is consistent with measurements from other distance indicators. This analysis has shown that, when considering a sample covering a range of iron abundances, the metallicity spread introduces a dispersion in the PL relation on the order of 0.13 mag. However, if this metallicity component is accounted for in a PLZ relation, the dispersion is reduced to ∼0.02 mag at mid-infrared wavelengths.

High frequency fishbone driven by passing energetic ions in tokamak plasmas

Science.gov (United States)

Wang, Feng; Yu, L. M.; Fu, G. Y.; Shen, Wei

2017-05-01

High frequency fishbone instability driven by passing energetic ions was first reported in the Princeton beta experiment with tangential neutral-beam-injection (Heidbrink et al 1986 Phys. Rev. Lett. 57 835-8). It could play an important role for ITER-like burning plasmas, where α particles are mostly passing particles. In this work, a generalized energetic ion distribution function and finite drift orbit width effect are considered to improve the theoretical model for passing particle driving fishbone instability. For purely passing energetic ions with zero drift orbit width, the kinetic energy δ {{W}k} is derived analytically. The derived analytic expression is more accurate as compared to the result of previous work (Wang 2001 Phys. Rev. Lett. 86 5286-8). For a generalized energetic ion distribution function, the fishbone dispersion relation is derived and is solved numerically. Numerical results show that broad and off-axis beam density profiles can significantly increase the beam ion beta threshold {βc} for instability and decrease mode frequency.

Theoretical study of relative width of photonic band gap for the 3-D ...

Indian Academy of Sciences (India)

... of refractive index and relative radius of the photonic band gap for the fcc closed packed 3-D dielectric microstructure are reported and comparison of experimental observations and theoretical predictions are given. This work is useful for the understanding of photonic crystals and occurrence of the photonic band gap.

Contributions to the study of positive ion kinetics in gases

International Nuclear Information System (INIS)

Popescu, A.

1978-01-01

Extensive studies on cesium ion kinetics in cesium and cesium-noble gas mixtures were performed. The obtained data are correlated with the measured parameters of the thermionic diodes. The mobility of atomic and molecular cesium ions at low electric fields, including zero electric field, in cesium and cesium krypton mixtures were measured using the time of flight method and a special thermionic ion detector. The atomic ion conversion into molecular ions is theoretically considered in the diffusion equation of the charged particles and the obtained analytical relation is in good agreement with the experimental cesium measured data. The reaction rate of the ion conversion in cesium is considered from these measurements. Measurements on the diffused plasma through the anode (provided with holes) of the cesium thermionic diode supply data on the anode sheath, the ratio of electronic and ionic current, electron temperature and the nature of the cesium ions (atomic or molecular) for various modes of the low voltage arc discharge. The obtained data have been used for the optimization of the thermionic diode parameters, as well as for the development of a new type of device for the detection of impurities in the air. (author)

Electron capture in ion-molecule collisions at intermediate energy

International Nuclear Information System (INIS)

Kumura, M.

1986-01-01

Recent progress of theoretical charge transfer study in ion-molecule collisions at the intermediate energy is reviewed. Concept of close and distant collisions obtained from extensive ion-atom collision studies is identified so that it can be utilized to model two distinct collision processes. For a close collision, explicit representation of the whole collision complex is necessary to describe collision dynamics correctly, while a model potential approach for molecule is appropriate for a distant collision. It is shown that these two distinct models are indeed capable of reproducing experimental charge transfer cross sections. Some remarks for further theoretical study of ion-molecule collisions are also given. 21 refs., 8 figs

Sub 100 nm proton beam micromachining: theoretical calculations on resolution limits

International Nuclear Information System (INIS)

Kan, J.A. van; Sum, T.C.; Osipowicz, T.; Watt, F.

2000-01-01

Proton beam micromachining is a novel direct-write process for the production of three-dimensional (3D) microstructures. A focused beam of MeV protons is scanned in a pre-determined pattern over a suitable resist material (e.g. PMMA or SU-8) and the latent image formed is subsequently developed chemically. In this paper calculations on theoretical resolution limits of proton beam micromachined three-dimensional microstructures are presented. Neglecting the finite beam size, a Monte Carlo ion transport code was used in combination with a theoretical model describing the delta-ray (δ-ray) energy deposition to determine the lateral energy deposition distribution in PMMA resist material. The energy deposition distribution of ion induced secondary electrons (δ-rays) has been parameterized using analytical models. It is assumed that the attainable resolution is limited by a convolution of the spread of the ion beam and energy deposition of the δ-rays

Relative ion yields in mammalian cell components using C60 SIMS

Science.gov (United States)

Keskin, Selda; Piwowar, Alan; Hue, Jonathan; Shen, Kan; Winograd, Nicholas

2013-01-01

Time of flight secondary ion mass spectrometry has been used to better understand the influence of molecular environment on the relative ion yields of membrane lipid molecules found in high abundance in a model mammalian cell line, RAW264.7. Control lipid mixtures were prepared to simulate lipid–lipid interactions in the inner and outer leaflet of cell membranes. Compared with its pure film, the molecular ion yields of 1,2-dioleoyl-sn-glycero-3-phosphocholine and 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine are suppressed when mixed with 2-dipalmitoyl-sn-glycero-3-phosphocholine. In the mixture, proton competition between 1,2-dioleoyl-sn-glycero-3-phosphocholine, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, and 2-dipalmitoyl-sn-glycero-3-phosphocholine led to lower ionization efficiency. The possible mechanism for ion suppression was also investigated with 1H and 13C nuclear magnetic resonance spectroscopy. The formation of a hydroxyl bond in lipid mixtures confirms the mechanism involving proton exchange with the surrounding environment. Similar effects were observed for lipid mixtures mimicking the composition of the inner leaflet of cell membranes. The secondary molecular ion yield of 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine was observed to be enhanced in the presence of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine. PMID:25140069

Laser cooled ion beams and strongly coupled plasmas for precision experiments

International Nuclear Information System (INIS)

Bussmann, Michael

2008-01-01

This cumulative thesis summarizes experimental and theoretical results on cooling of ion beams using single-frequency, single-mode tabletop laser systems. It consists of two parts. One deals with experiments on laser-cooling of ion beams at relativistic energies, the other with simulations of stopping and sympathetic cooling of ions for precision in-trap experiments. In the first part, experimental results are presented on laser-cooling of relativistic C 3+ ion beams at a beam energy of 122 MeV/u, performed at the Experimental Storage Ring (ESR) at GSI. The main results presented in this thesis include the first attainment of longitudinally space-charge dominated relativistic ion beams using pure laser-cooling. The second part lists theoretical results on stopping and sympathetic cooling of ions in a laser-cooled one-component plasma of singly charged 24 Mg ions, which are confined in a three-dimensional harmonic trap potential. (orig.)

Chemical equilibrium relations used in the fireball model of relativistic heavy ion reactions

International Nuclear Information System (INIS)

Gupta, S.D.

1978-01-01

The fireball model of relativistic heavy-ion collision uses chemical equilibrium relations to predict cross sections for particle and composite productions. These relations are examined in a canonical ensemble model where chemical equilibrium is not explicitly invoked

Algebraic and coordinate space potentials from heavy ion scattering

International Nuclear Information System (INIS)

Amos, K.; Berge, L.; Allen, L.J.; Fiedeldey, H.

1993-01-01

An inversion scheme is presented to derive the potentials of algebraic scattering theory from the corresponding S-functions. Representative heavy ion scattering data of 12 C, 14 N and 16 O ions on 208 Pb, accurately fitted by McIntyre strong absorption type S-functions, are employed to obtain exact algebraic potentials and to generalize the analytical shapes proposed previously by Alhassid et al. The coordinate space potentials corresponding to a number of S-functions are also obtained via semiclassical inversion. The major advantage of the algebraic potentials is that, at a theoretical level they are more directly related to the S-functions than are coordinate space potentials. 16 refs., 1 tab., 9 figs

Theoretical studies of atomic and quasiatomic excitations by electron and ion impact

International Nuclear Information System (INIS)

Kam, K.F.

1999-09-01

Electron emission from ion induced excitations of Ca, Sc, Ti and V metal surfaces and from electron impact on transition metal oxides CoO and TiO 2 has been studied in this thesis. Both the autoionising emission from sputtered atoms and the 3p→3d and 3s→3d excitations in the oxides reveal strong atomic features. The work has involved explaining these spectra in an atomic approach, via the use of atomic structure calculations, cross section studies and empirical/semi-empirical analyses. The other aspect of this work involves extension of current theories of electron-atom scattering in the high electron energy impact regime. Overall it is shown that much can be learned about some solid-state spectra by relating them to atomic phenomena. (author)

Accurate thermodynamic relations of the melting temperature of nanocrystals with different shapes and pure theoretical calculation

Energy Technology Data Exchange (ETDEWEB)

Zhu, Jinhua; Fu, Qingshan; Xue, Yongqiang, E-mail: xyqlw@126.com; Cui, Zixiang

2017-05-01

Based on the surface pre-melting model, accurate thermodynamic relations of the melting temperature of nanocrystals with different shapes (tetrahedron, cube, octahedron, dodecahedron, icosahedron, nanowire) were derived. The theoretically calculated melting temperatures are in relative good agreements with experimental, molecular dynamic simulation and other theoretical results for nanometer Au, Ag, Al, In and Pb. It is found that the particle size and shape have notable effects on the melting temperature of nanocrystals, and the smaller the particle size, the greater the effect of shape. Furthermore, at the same equivalent radius, the more the shape deviates from sphere, the lower the melting temperature is. The value of melting temperature depression of cylindrical nanowire is just half of that of spherical nanoparticle with an identical radius. The theoretical relations enable one to quantitatively describe the influence regularities of size and shape on the melting temperature and to provide an effective way to predict and interpret the melting temperature of nanocrystals with different sizes and shapes. - Highlights: • Accurate relations of T{sub m} of nanocrystals with various shapes are derived. • Calculated T{sub m} agree with literature results for nano Au, Ag, Al, In and Pb. • ΔT{sub m} (nanowire) = 0.5ΔT{sub m} (spherical nanocrystal). • The relations apply to predict and interpret the melting behaviors of nanocrystals.

Theory of mutation induction by accelerated very heavy ions in cells

International Nuclear Information System (INIS)

Kozubek, S.; Ryznar, L.

1995-01-01

Stochastic effects of ionising radiation in humans are related to mutation induction in cells. Therefore experimental data on mutation induction represents one of the endpoints used for the estimation of risk in radiation protection. Only very rough estimates can be made owing to the fact that a suitable theoretical approach does not exist. A simple method is proposed for the evaluation of the efficiency of mutation induction by accelerated very heavy ions in mammalian cells. The approach is based on the calculation of the fraction of energy deposited by accelerated particles in indirect collisions (hits) in the cells. Two different modes of particle mutagenic action can be distinguished. δ ray mutagenesis is related to those particles that preferentially kill the cells in direct hits. Track-core mutagenesis arises from direct hits and is observed for lighter ions or ions with very high energy (LET ≤ 500 keV.μm -1 ). Available experimental data agree reasonably well with the results based on theory. (author)

Experimental investigations of single-electron detachment processes from H- ions colliding with MeV/u, highly charged ions

International Nuclear Information System (INIS)

Tawara, H.; Tonuma, T.; Kumagai, H.; Imai, T.; Uskov, D.B.; Presnyakov, L.P.

1999-01-01

Single electron detachment processes from negative hydrogen ions under collisions with MeV/u highly charged ions have been investigated using the so-called crossed-beams technique. The preliminary results of the single-electron detachment cross sections obtained is found to be in crude agreement with some empirical and theoretical estimations. (orig.)

Review of highly charged heavy ion production with electron cyclotron resonance ion source (invited)

International Nuclear Information System (INIS)

Nakagawa, T.

2014-01-01

The electron cyclotron resonance ion source (ECRIS) plays an important role in the advancement of heavy ion accelerators and other ion beam applications worldwide, thanks to its remarkable ability to produce a great variety of intense highly charged heavy ion beams. Great efforts over the past decade have led to significant ECRIS performance improvements in both the beam intensity and quality. A number of high-performance ECRISs have been built and are in daily operation or are under construction to meet the continuously increasing demand. In addition, comprehension of the detailed and complex physical processes in high-charge-state ECR plasmas has been enhanced experimentally and theoretically. This review covers and discusses the key components, leading-edge developments, and enhanced ECRIS performance in the production of highly charged heavy ion beams

Direct photons and thermal dileptons: A theoretical review

OpenAIRE

Gale, Charles

2001-01-01

We discuss the measurement of electromagnetic radiation produced in heavy ion collisions at SPS energies. We review the low invariant mass dilepton sector, the real photon data, and the spectra of intermediate mass dimuons. Along with this, we discuss the theoretical interpretations of those observables.

Electron capture in ion atom and ion-ion collisions

International Nuclear Information System (INIS)

Barat, M.

1986-01-01

Electron capture (EC) by positive ions in collision with various targets has remained one of the most important subjects of research since the early 30's. From a theoretical point of view, EC is obviously a coupled 3-body problem: at least two cores and an active electron that jumps between them. Practical interest in EC arose in a variety of fields. Recently a renewed interest arose from the physics of thermonuclear fusion, where capture by highly charged ionic impurities were found to be an important process in tokamak devices. For that reasons, a number of reviews were devoted to this subject during the past years, including lectures given in various NATO advanced science institutes. The aim of this lecture is not at all to add a new review to this list, but (i) to summarize the very basis of the present theoretical approaches at low and moderate collision energy, (ii) to pinpoint some crucial difficulties in the theoretical treatment, (iii) to select specific examples which, to the taste of the author, reflect some present practical interest, or some significant advances. 48 references, 38 figures, 1 table

Theoretical calculations of the self-reflection coefficients for some species of ions

Energy Technology Data Exchange (ETDEWEB)

Luo, Z.M. E-mail: luozm@scu.edu.cn; Gou, C.; Hou, Q

2002-06-01

The bipartition model of ion transport has been applied to study the self-reflection coefficients of some species of ion beams which are normally incident to a surface. The computational results has been compared with the results taken from Eckstein and Biersack and the compilation data given by Thomas, Janev and Smith. It was found that there are in reasonable agreement between the results given by the bipartition model and the results given by Monte Carlo method.

Study on actinoids in boundary ion transfer from an aspect of solution chemistry

Energy Technology Data Exchange (ETDEWEB)

Kihara, Sorin; Shirai, Makoto; Matsui, Masakazu [Kyoto Univ., Uji (Japan). Inst. for Chemical Research; Yoshida, Zenko; Aoyagi, Hisao; Kitatsuji, Yoshihiro

1996-01-01

This study aimed to elucidate the fundamental properties of boundary ion transfer between water (W) and organic solvent (O) and to apply the results to the study on actinoid ions. First, dissolved states of ion in W and O in relation to boundary transfer were investigated and the transfer stimulation effects by an addition of some agents which can induce their complex formation were examined. Then, a theoretical equation which expresses a relationship between ion-pair extraction reaction and {Delta}Gtr was proposed and proved with {Delta}Gtr of single ion obtained by the use of VITIES, which is an apparatus for voltammetric determination of boundary ion transfer developed by the authors. Single ion transfer in W/O was estimated from the voltammogram based on I-{Delta}V curve (I; electric current which corresponds to the amount of ion transfer and {Delta}V; phase boundary voltage). In addition, determination of actinoid ion transfer in W/O boundary was made by VITIES to clarify the ion transfer energy, velocity and transferred molecular species. Thus, developments of a new isolation method and a trial sensor for actinoid ions were undertaken based on these results. (M.N.)

Vacuum ultraviolet photofragmentation of octadecane: photoionization mass spectrometric and theoretical investigation.

Science.gov (United States)

Xu, Jing; Sang, Pengpeng; Zhao, Lianming; Guo, Wenyue; Qi, Fei; Xing, Wei; Yan, Zifeng

The photoionization and fragmentation of octadecane were investigated with infrared laser desorption/tunable synchrotron vacuum ultraviolet (VUV) photoionization mass spectrometry (IRLD/VUV PIMS) and theoretical calculations. Mass spectra of octadecane were measured at various photon energies. The fragment ions were gradually detected with the increase of photon energy. The main fragment ions were assigned to radical ions (C n H 2 n +1 + , n  = 4-11) and alkene ions (C n H 2 n + , n  = 5-10). The ionization energy of the precursor and appearance energy of ionic fragments were obtained by measuring the photoionization efficiency spectrum. Possible formation pathways of the fragment ions were discussed with the help of density functional theory calculations.

γ-Ray radiolysis and theoretical study on radical ions of star-shaped oligofluorenes having a truxene or isotruxene as a core

International Nuclear Information System (INIS)

Fujitsuka, Mamoru; Tojo, Sachiko; Yang, Jye-Shane; Majima, Tetsuro

2013-01-01

Highlights: ► Radiolysis provides absorption spectra of radical ions of star-shaped oligofluorenes. ► Absorption spectroscopic properties depend on oligomer size extensively. ► TDDFT provides reasonable assignments to the visible and near-IR absorption bands. ► Extensive charge delocalization was indicated by planarization of oligomers. - Abstract: Poly- and oligofluorenes have been intensively studied for years, because of their excellent properties as photo- and electro-functional materials. Especially, star-shaped oligofluorenes as two-dimensional oligomers are interesting materials for wide researchers. To understand their electronic properties in charged states, absorption spectra of radical cation and radical anion of star-shaped oligomers with varied size were investigated by means of γ-ray radiolysis. The absorption spectra of their radical ions ranged from the visible to near-IR regions were successfully obtained. By using the theoretical calculation, the observed peaks were assigned. It is indicated that the transition between HOMO and LUMO of the original neutral state plays a significant role in the visible region. Furthermore, it is indicated that the star-shaped oligofluorenes tend to take a planar structure upon oxidation and reduction

Bioactivity of Isoflavones: Assessment through a Theoretical Model as a Way to Obtain a “Theoretical Efficacy Related to Estradiol (TERE)”

Science.gov (United States)

Campos, Maria da Graça R.; Matos, Miguel Pires

2010-01-01

The increase of human life span will have profound implications in Public Health in decades to come. By 2030, there will be an estimated 1.2 billion women in post-menopause. Hormone Replacement Therapy with synthetic hormones is still full of risks and according to the latest developments, should be used for the shortest time possible. Searching for alternative drugs is inevitable in this scenario and science must provide physicians with other substances that can be used to treat the same symptoms with less side effects. Systematic research carried out on this field of study is focusing now on isoflavones but the randomised controlled trials and reviews of meta-analysis concerning post-menopause therapy, that could have an important impact on human health, are very controversial. The aim of the present work was to establish a theoretical calculation suitable for use as a way to estimate the “Theoretical Efficacy (TE)” of a mixture with different bioactive compounds as a way to obtain a “Theoretical Efficacy Related to Estradiol (TERE)”. The theoretical calculation that we propose in this paper integrates different knowledge about this subject and sets methodological boundaries that can be used to analyse already published data. The outcome should set some consensus for new clinical trials using isoflavones (isolated or included in mixtures) that will be evaluated to assess their therapeutically activity. This theoretical method for evaluation of a possible efficacy could probably also be applied to other herbal drug extracts when a synergistic or contradictory bio-effect is not verified. In this way, it we may contribute to enlighten and to the development of new therapeutic approaches. PMID:20386649

Continuum states in ion-atom collisions

Energy Technology Data Exchange (ETDEWEB)

Garibotti, C.R. (Centro Atomico Bariloche and CONICET (Argentina)); Barrachina, R.O. (Centro Atomico Bariloche and CONICET (Argentina))

1994-03-01

We review the experimental and theoretical situation for ionization collisions of nude ions with neutral gas atoms, at intermediate and high impact energies. We consider particularly that part of the electron spectrum where emission is larger, corresponding to the joint action to the two ions. We discuss the evidence of this two-center interaction and how it is described by current theories. (orig.)

Laser cooled ion beams and strongly coupled plasmas for precision experiments

Energy Technology Data Exchange (ETDEWEB)

Bussmann, Michael

2008-03-17

This cumulative thesis summarizes experimental and theoretical results on cooling of ion beams using single-frequency, single-mode tabletop laser systems. It consists of two parts. One deals with experiments on laser-cooling of ion beams at relativistic energies, the other with simulations of stopping and sympathetic cooling of ions for precision in-trap experiments. In the first part, experimental results are presented on laser-cooling of relativistic C{sup 3+} ion beams at a beam energy of 122 MeV/u, performed at the Experimental Storage Ring (ESR) at GSI. The main results presented in this thesis include the first attainment of longitudinally space-charge dominated relativistic ion beams using pure laser-cooling. The second part lists theoretical results on stopping and sympathetic cooling of ions in a laser-cooled one-component plasma of singly charged {sup 24}Mg ions, which are confined in a three-dimensional harmonic trap potential. (orig.)

Sub-Coulomb heavy ion neutron transfer reactions and neutron orbit sizes

International Nuclear Information System (INIS)

Phillips, W.R.

1976-01-01

Direct transfer reactions below the Coulomb barrier offer the best means of determining neutron densities near the nuclear surface. This paper describes how heavy ion sub-Coulomb transfer can be used to determine the rms radii of neutron orbits in certain nuclei. The theoretical background is outlined and problems associated with the comparison of experiment and theory are discussed. Experiments performed to calibrate sub-Coulomb heavy ion transfer reactions are presented, and some comments are made on the relative roles of light and heavy ion reactions. Preliminary values for the rms radii of neutron orbits and neutron excesses extracted from recent experiments are given, and some remarks are made concerning the implications of these results for the triton wave function and for the Coulomb energy difference anomaly. (author)

Electron-impact ionization of Pbq+ ions for q=1-10

International Nuclear Information System (INIS)

Loch, S.D.; Ludlow, J.A.; Pindzola, M.S.; Scheuermann, F.; Kramer, K.; Fabian, B.; Huber, K.; Salzborn, E.

2005-01-01

Theoretical calculations and experimental crossed-beam measurements are compared for electron-impact single ionization of Pb q+ ions for q=1-10. We compare with two main theoretical methods. First, we check against configuration-average distorted-wave calculations, which include both direct-ionization and indirect excitation-autoionization contributions. Second, for ion stages Pb + through to Pb 5+ , we calculate the dominant excitation-autoionization channels using level-resolved distorted-wave theory to evaluate the excitation cross sections. We find that for ion stages Pb + , Pb 2+ , and Pb 3+ , distorted-wave theory significantly overestimates the total-ionization cross section, due to an overestimation of the direct-ionization cross section from the 5d subshell. For ion stages Pb 4+ through to Pb 10+ there is good agreement between theory and experiment. We find evidence for significant metastable fraction in the ion beam of the experiment for ion stages Pb 2+ , Pb 3+ , Pb 4+ , Pb 5+ , and Pb 6+ . For ion stage Pb 3+ we find that the level-resolved distorted-wave calculation of the excitation autoionization results in a slight reduction of the configuration-average theoretical results, due to splitting of levels within the autoionizing configurations. We also investigate two semiempirical methods of calculating the direct-ionization cross sections: namely, the Lotz method and the binary encounter Bethe method. We find that both methods provide results which are significantly lower than the distorted-wave method for the 5d-subshell direct ionization of Pb + , Pb 2+ , and Pb 3+ . For the higher ion stages, both methods are lower than the distorted-wave direct-ionization cross-section results, trending towards the distorted-wave results as the ion stage increases

Application of a two fluid theoretical plasma transport model on current tokamak reactor designs

International Nuclear Information System (INIS)

Ibrahim, E.; Fowler, T.K.

1987-06-01

In this work, the new theoretical transport models to TIBER II design calculations are described and the results are compared with recent experimental data in large tokamaks (TFTR, JET). Tang's method is extended to a two-fluid model treating ions and electrons separately. This allows for different ion and electron temperatures, as in recent low-density experiments in TFTR, and in the TIBER II design itself. The discussion is divided into two parts: (1) Development of the theoretical transport model and (2) calibration against experiments and application to TIBER II

Solid surfaces : some theoretical aspects

International Nuclear Information System (INIS)

Das, M.P.

1978-01-01

An appraisal of the current situation concerning some of the theoretical aspects of solid surfaces is presented. First of all the characterization of the surfaces that involves the surface geometry and atomic composition for both the clean and adsorbed surfaces is discussed. Under this, the methods for determining the surface structure (such as low energy electron diffraction, field electron and field ion microscopy, photo emission spectroscopy and atomic scattering) and methods for determining the surface composition by the Auger electron spectroscopy are outlined. In the second part, emphasis is on the electronic structure of the clean and adsorbed surfaces. The measurements of ultra-violet and X-ray photo electron spectra are shown to yield the information about the surface electronic structure. In this context the many body effects such as, shake-up and relaxation energy etc. are discussed. Finally the status of the theory in relation to the experiments on angular resolved and polarization dependent photo emission are presented. (auth.)

Intercalation of Mg-ions in layered V2O5 cathode materials for rechargeable Mg-ion batteries

DEFF Research Database (Denmark)

Sørensen, Daniel Risskov; Johannesen, Pætur; Christensen, Christian Kolle

The development of functioning rechargeable Mg-ion batteries is still in its early stage, and a coarse screening of suitable cathode materials is still on-going. Within the intercalation-type cathodes, layered crystalline materials are of high interest as they are known to perform well in Li-ion...... intercalation batteries and are also increasingly being explored for Na-ion batteries. Here, we present an investigation of the layered material orthorhombic V2O5, which is a classical candidate for an ion-intercalation material having a high theoretical capacity1. We present discharge-curves for the insertion...... discharge. This indicates that the degradation is highly associated with formation of ion-blocking layers on the anode....

Proceedings of study meeting on microscopic and phenomenological research of interaction for light heavy-ion systems

International Nuclear Information System (INIS)

1991-06-01

The Research Center for Nuclear Physics study meeting 'Microscopic and phenomenological research of interaction for light heavy-ion systems was held on March 7-9, 1990 as the study meeting in the second half of 1990, and 25 researchers took part in it. As the background of holding this study meeting, the fact that recently the rainbow scattering due to nuclear force was discovered experimentally in 16 O- 16 O system, and phenomenologically it was explained only by deep inter-nucleus potential. This should be evaluated as an important foothold for the research on the interaction for light heavy-ion systems and nuclear reaction mechanism. Accordingly, most of the papers presented this time were those related to the inter-nucleus potential and nuclear reaction mechanism. Also the development of theoretical analysis method was carried out and reported. Further, recently the experimental study on the structure and reaction of the neutron rich nucleus has advanced, and the theoretical research related to this topic was reported. (K.I.)

The synchrotron and its related technology for ion beam therapy

International Nuclear Information System (INIS)

Hiramoto, Kazuo; Umezawa, Masumi; Saito, Kazuyoshi; Tootake, Satoshi; Nishiuchi, Hideaki; Hara, Shigemistu; Tanaka, Masanobu; Matsuda, Koji; Sakurabata, Hiroaki; Moriyama, Kunio

2007-01-01

Hitachi has developed several new technologies for the synchrotron and its related system to realize reliable and flexible operation of a proton therapy system. Especially important among them are a non-resonant RF acceleration cavity using FINEMET core with multiple power feeding and radio frequency driven beam extraction technique (RF-DE) for a synchrotron. Various treatment operations such as variable acceleration energy or respiration gating became possible and simple due to the above technique. For beam transport, a beam steering method for the beam, using transfer matrix realizes quick and precise correction of the beam orbit. A compact microwave ion source has also been developed for the injector to obtain further higher reliability and availability. Most of these technologies are also effective to enhance the reliability and flexibility of other ion beam therapy systems

Removal of radon decay products with ion generators - comparison of experimental results with theory

International Nuclear Information System (INIS)

Maher, E.F.; Rudnick, S.N.; Moeller, D.W.

1985-01-01

The potential of ion generators to remove radon decay products from the airspace of residences or mines was investigated both experimentally and theoretically. A positive ion generator, producing an air ion current of less than 2 μA and operated in a 78 m 3 chamber with air exchange rates ranging from 0.2 to 0.8-hr -1 and relative humidities ranging from 20 to nearly 100%, reduced the concentrations of airborne radon decay products by as much as 85%. A negative ion generator, operated under the same range of conditions, was less effective, producing airborne radon decay product removals up to 67%. Experimental results compared favorably with a simple theoretical model that hypothesizes a three-part process: 1) radon decay products, as well as aerosol particles to which some of these decay products attach, are charged by diffusion of the air ions produced by the generator; 2) the air ions also produce a nonuniform space charge in the chamber that results in an electric field gradient radially outwards from the generator to the chamber surfaces; and 3) because of the influence of this electric field, the charged decay products and particles migrate toward nearby surfaces where they plate out. The net benefit of unipolar space charging is a substantial decrease in the steady-state radon decay product concentrations in the airspace with a corresponding reduction in the lung dose equivalent to the occupants

Negative hydrogen ion production mechanisms

Energy Technology Data Exchange (ETDEWEB)

Bacal, M. [UPMC, LPP, Ecole Polytechnique, UMR CNRS 7648, Palaiseau (France); Wada, M. [School of Science and Engineering, Doshisha University, Kyoto 610-0321 (Japan)

2015-06-15

Negative hydrogen/deuterium ions can be formed by processes occurring in the plasma volume and on surfaces facing the plasma. The principal mechanisms leading to the formation of these negative ions are dissociative electron attachment to ro-vibrationally excited hydrogen/deuterium molecules when the reaction takes place in the plasma volume, and the direct electron transfer from the low work function metal surface to the hydrogen/deuterium atoms when formation occurs on the surface. The existing theoretical models and reported experimental results on these two mechanisms are summarized. Performance of the negative hydrogen/deuterium ion sources that emerged from studies of these mechanisms is reviewed. Contemporary negative ion sources do not have negative ion production electrodes of original surface type sources but are operated with caesium with their structures nearly identical to volume production type sources. Reasons for enhanced negative ion current due to caesium addition to these sources are discussed.

From Special Relativity to Feynman Diagrams A Course of Theoretical Particle Physics for Beginners

CERN Document Server

D'Auria, Riccardo

2012-01-01

This books aims at filling a gap between the basics courses of classical and quantum mechanics and advanced courses of (relativistic) quantum mechanics and field theory. Particular emphasis is given to the role of symmetry in modern theoretical physics. For this reason this book is particularly suited to those students who are interested in a deeper knowledge of modern developments in elementary particle physics and relativity, even if they choose not to specialize in this branch of research. This target of readers includes, besides experimental and applied physicists, also those engineers who need advanced notions of theoretical high energy physics, in view of future research activity in the field theory approach to condensed matter, in accelerator physics and in all those modern technology sectors which require a more advanced and sophisticated theoretical physics background. Courses motivated by these objectives are present in several polytechnic institutes around the world. The last chapters of this book,...

Influence of weakly bound adduct ions on breath trace gas analysis by selected ion flow tube mass spectrometry (SIFT-MS)

Czech Academy of Sciences Publication Activity Database

Španěl, Patrik; Smith, D.

2009-01-01

Roč. 280, 1-3 (2009), s. 128-135 ISSN 1387-3806 R&D Projects: GA AV ČR IAA400400702 Institutional research plan: CEZ:AV0Z40400503 Keywords : ion-molecule association * adduct ion * SIFT-MS * breath analysis Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.117, year: 2009

Initial recombination of ions in gases (Air). Anfangsrekombination von Ionen in gasen (Luft)

Energy Technology Data Exchange (ETDEWEB)

Booz, J.; Ebert, H. G.

1962-08-15

The dependence of the initial recombination coefficients on the ion density, the ionization length, and the recombination time was theoretically and experimentally investigated for the case of ionization of air with x rays. The experiments were carried out at initial ion densities between 5 x 10/sup 4/ and 2 x 10/sup 6/ ion pairs/cm/sup 3/ and at ionization lengths between 100 mu sec and 3 msec. There was satisfactory agreement with the theoretically derived formula. (tr-auth)

Characterizing Ion Flows Across a Dipolarization Front

Science.gov (United States)

Arnold, H.; Drake, J. F.; Swisdak, M.

2017-12-01

In light of the Magnetospheric Multiscale Mission (MMS) moving to study predominately symmetric magnetic reconnection in the Earth's magnetotail, it is of interest to investigate various methods for determining the relative location of the satellites with respect to the x line or a dipolarization front. We use a 2.5 dimensional PIC simulation to explore the dependence of various characteristics of a front, or flux bundle, on the width of the front in the dawn-dusk direction. In particular, we characterize the ion flow in the x-GSM direction across the front. We find a linear relationship between the width of a front, w, and the maximum velocity of the ion flow in the x-GSM direction, Vxi, for small widths: Vxi/VA=w/di*1/2*(mVA2)/Ti*Bz/Bxwhere m, VA, di, Ti, Bz, and Bx are the ion mass, upstream Alfven speed, ion inertial length, ion temperature, and magnetic fields in the z-GSM and x-GSM directions respectively. However, once the width reaches around 5 di, the relationship gradually approaches the well-known theoretical limit for ion flows, the upstream Alfven speed. Furthermore, we note that there is a reversal in the Hall magnetic field near the current sheet on the positive y-GSM side of the front. This reversal is most likely due to conservation of momentum in the y-GSM direction as the ions accelerate towards the x-GSM direction. This indicates that while the ions are primarily energized in the x-GSM direction by the front, they transfer energy to the electromagnetic fields in the y-GSM direction. The former energy transfer is greater than the latter, but the reversal of the Hall magnetic field drags the frozen-in electrons along with it outside of the front. These simulations should better able researchers to determine the relative location of a satellite crossing a dipolarization front.

NASA Aerospace Flight Battery Program: Generic Safety, Handling and Qualification Guidelines for Lithium-Ion (Li-Ion) Batteries; Availability of Source Materials for Lithium-Ion (Li-Ion) Batteries; Maintaining Technical Communications Related to Aerospace Batteries (NASA Aerospace Battery Workshop). Volume 1, Part 1

Science.gov (United States)

Manzo, Michelle A.; Brewer, Jeffrey C.; Bugga, Ratnakumar V.; Darcy, Eric C.; Jeevarajan, Judith A.; McKissock, Barbara I.; Schmitz, Paul C.

2010-01-01

This NASA Aerospace Flight Battery Systems Working Group was chartered within the NASA Engineering and Safety Center (NESC). The Battery Working Group was tasked to complete tasks and to propose proactive work to address battery related, agency-wide issues on an annual basis. In its first year of operation, this proactive program addressed various aspects of the validation and verification of aerospace battery systems for NASA missions. Studies were performed, issues were discussed and in many cases, test programs were executed to generate recommendations and guidelines to reduce risk associated with various aspects of implementing battery technology in the aerospace industry. This document contains Part 1 - Volume I: Generic Safety, Handling and Qualification Guidelines for Lithium-Ion (Li-Ion) Batteries, Availability of Source Materials for Lithium-Ion (Li-Ion) Batteries, and Maintaining Technical Communications Related to Aerospace Batteries (NASA Aerospace Battery Workshop).

Jason: heavy-ion-driven inertial fusion

International Nuclear Information System (INIS)

Callan, C.G. Jr.; Dashen, R.F.; Garwin, R.L.; Muller, R.A.; Richter, B.; Rosenbluth, M.N.

1978-02-01

A few of the problems in heavy-ion-driven inertial-fusion systems are reviewed. Nothing was found within the scope of this study that would in principle bar such systems from delivering the energy and peak power required to ignite the fuel pellet. Indeed, ion-fusion seems to show great promise, but the conceptual design of ion-fusion systems is still in a primitive state. A great deal of work, mostly theoretical, remains to be done before proceeding with massive hardware development. Conclusions are given about the state of the work

Nonlinear waves in plasma with negative ion

International Nuclear Information System (INIS)

Saito, Maki; Watanabe, Shinsuke; Tanaca, Hiroshi.

1984-01-01

The propagation of nonlinear ion wave is investigated theoretically in a plasma with electron, positive ion and negative ion. The ion wave of long wavelength is described by a modified K-dV equation instead of a K-dV equation when the nonlinear coefficient of the K-dV equation vanishes at the critical density of negative ion. In the vicinity of the critical density, the ion wave is described by a coupled K-dV and modified K-dV equation. The transition from a compressional soliton to a rarefactive soliton and vice versa are examined by the coupled equation as a function of the negative ion density. The ion wave of short wavelength is described by a nonlinear Schroedinger equation. In the plasma with a negative ion, the nonlinear coefficient of the nonlinear Schroedinger equation changes the sign and the ion wave becomes modulationally unstable. (author)

Some Theoretical and Methodological Problems Related to Studying the Future of Adult Education

Directory of Open Access Journals (Sweden)

Ilija Lavrnja

1995-12-01

Full Text Available The following paper first discusses some epistemological and theoretically methodological initial theses for a futurological research in education. In analysing them, the author first dwells upon different orientations and doctrines for futuro logical research work (rational detenninism and indetenninism, agnosticism and probabil· ism. This article is focusing upon possibilities and limits of hypotheses, related to the educational development in the future. In doing so, re-orientation or reconstruction of knowledge, educational phenomena and pedagogical thinking related to the education as a factor inducing individual and social development are taken into account.

Tandem Mass Spectrometry and Ion Mobility Reveals Structural Insight into Eicosanoid Product Ion Formation.

Science.gov (United States)

Di Giovanni, James P; Barkley, Robert M; Jones, David N M; Hankin, Joseph A; Murphy, Robert C

2018-04-23

Ion mobility measurements of product ions were used to characterize the collisional cross section (CCS) of various complex lipid [M-H] - ions using traveling wave ion mobility mass spectrometry (TWIMS). TWIMS analysis of various product ions derived after collisional activation of mono- and dihydroxy arachidonate metabolites was found to be more complex than the analysis of intact molecular ions and provided some insight into molecular mechanisms involved in product ion formation. The CCS observed for the molecular ion [M-H] - and certain product ions were consistent with a folded ion structure, the latter predicted by the proposed mechanisms of product ion formation. Unexpectedly, product ions from [M-H-H 2 O-CO 2 ] - and [M-H-H 2 O] - displayed complex ion mobility profiles suggesting multiple mechanisms of ion formation. The [M-H-H 2 O] - ion from LTB 4 was studied in more detail using both nitrogen and helium as the drift gas in the ion mobility cell. One population of [M-H-H 2 O] - product ions from LTB 4 was consistent with formation of covalent ring structures, while the ions displaying a higher CCS were consistent with a more open-chain structure. Using molecular dynamics and theoretical CCS calculations, energy minimized structures of those product ions with the open-chain structures were found to have a higher CCS than a folded molecular ion structure. The measurement of product ion mobility can be an additional and unique signature of eicosanoids measured by LC-MS/MS techniques. Graphical Abstract ᅟ.

Tandem Mass Spectrometry and Ion Mobility Reveals Structural Insight into Eicosanoid Product Ion Formation

Science.gov (United States)

Di Giovanni, James P.; Barkley, Robert M.; Jones, David N. M.; Hankin, Joseph A.; Murphy, Robert C.

2018-04-01

Ion mobility measurements of product ions were used to characterize the collisional cross section (CCS) of various complex lipid [M-H]- ions using traveling wave ion mobility mass spectrometry (TWIMS). TWIMS analysis of various product ions derived after collisional activation of mono- and dihydroxy arachidonate metabolites was found to be more complex than the analysis of intact molecular ions and provided some insight into molecular mechanisms involved in product ion formation. The CCS observed for the molecular ion [M-H]- and certain product ions were consistent with a folded ion structure, the latter predicted by the proposed mechanisms of product ion formation. Unexpectedly, product ions from [M-H-H2O-CO2]- and [M-H-H2O]- displayed complex ion mobility profiles suggesting multiple mechanisms of ion formation. The [M-H-H2O]- ion from LTB4 was studied in more detail using both nitrogen and helium as the drift gas in the ion mobility cell. One population of [M-H-H2O]- product ions from LTB4 was consistent with formation of covalent ring structures, while the ions displaying a higher CCS were consistent with a more open-chain structure. Using molecular dynamics and theoretical CCS calculations, energy minimized structures of those product ions with the open-chain structures were found to have a higher CCS than a folded molecular ion structure. The measurement of product ion mobility can be an additional and unique signature of eicosanoids measured by LC-MS/MS techniques. [Figure not available: see fulltext.

Exchange of charges between fast ions and neutral atoms; Change de charges entre ions rapides et atomes neutres

Energy Technology Data Exchange (ETDEWEB)

Geller, R [Commissariat a l' Energie Atomique, Saclay(France). Centre d' Etudes Nucleaires

1955-07-01

In this paper, we summarize the most significant theoretical and experimental results obtained so far on the exchange of charges between fast ions and neutral atoms. (author) [French] Dans l'expose qui suit, nous resumons les resultats theoriques et experimentaux interessants obtenus jusqu'a nos jours dans le domaine de l'echange de charges entre ions rapides et atomes neutres. (auteur)

Ion-molecule reactions: their role in radiation chemistry

International Nuclear Information System (INIS)

Lias, S.G.; Ausloos, P.

1975-01-01

A comprehensive review of ion--molecule reactions is presented, including information from mass spectrometric, organic chemistry, and NMR studies, from theoretical calculations, and from gas and liquid phase radiation chemistry. Special emphasis is placed on interpreting the role of ion--molecule reactions in systems under high energy irradiation. The discussion is presented under the following chapter headings: ion--molecule reactions and their role in radiation chemistry; unimolecular processes: the nature and structure of ionic intermediates in radiolysis; ion lifetimes and the fate of unreactive ions; kinetics and mechanisms of ion--molecule reactions; proton transfer reactions; negative atom and two-atom transfer reactions; condensation reactions; and, association or clustering reactions

Polyenergy ion beam synthesis of buried oxynitride layer in silicon

Energy Technology Data Exchange (ETDEWEB)

Barabanenkov, M.Yu. E-mail: barab@ipmt-hpm.ac.ru; Agafonov, Yu.A.; Mordkovich, V.N.; Pustovit, A.N.; Vyatkin, A.F.; Zinenko, V.I

2000-11-01

The efficiency of silicon oxynitride synthesis in silicon crystals implanted with substoichiometric doses of oxygen and nitrogen ions is investigated both experimentally and theoretically. Si crystals are implanted with oxygen and nitrogen ions with doses of 1.5 and 4.5x10{sup 17} cm{sup -2}, respectively, at fixed oxygen ion energy of 150 keV and nitrogen ion energies varied from 80 to 180 keV. The samples annealed at 1200 deg C for 2 h were analysed by secondary ion mass spectroscopy (SIMS). Theoretically, a `diffusion-alternative sinks' model is applied to the annealing stage of ion beam synthesis of a buried layer of a new phase in solids. It is shown that the maximum of the ternary phase production is attained when nitrogen ions are implanted deeper than oxygen ions. An explanation of this fact is given in terms of that (i) the segregation of oxygen and nitrogen species on the surface of oxide nuclei removes the kinetic restriction of nuclei growth, characteristic of oxide growth, at the expense of only oxygen atoms, and (ii) the higher the implantation energy the smoother the shape of ion range distribution in the target, which, in its turn, causes the predominance of the impurity sink over the impurity diffusion.

Polyenergy ion beam synthesis of buried oxynitride layer in silicon

International Nuclear Information System (INIS)

Barabanenkov, M.Yu.; Agafonov, Yu.A.; Mordkovich, V.N.; Pustovit, A.N.; Vyatkin, A.F.; Zinenko, V.I.

2000-01-01

The efficiency of silicon oxynitride synthesis in silicon crystals implanted with substoichiometric doses of oxygen and nitrogen ions is investigated both experimentally and theoretically. Si crystals are implanted with oxygen and nitrogen ions with doses of 1.5 and 4.5x10 17 cm -2 , respectively, at fixed oxygen ion energy of 150 keV and nitrogen ion energies varied from 80 to 180 keV. The samples annealed at 1200 deg C for 2 h were analysed by secondary ion mass spectroscopy (SIMS). Theoretically, a `diffusion-alternative sinks' model is applied to the annealing stage of ion beam synthesis of a buried layer of a new phase in solids. It is shown that the maximum of the ternary phase production is attained when nitrogen ions are implanted deeper than oxygen ions. An explanation of this fact is given in terms of that (i) the segregation of oxygen and nitrogen species on the surface of oxide nuclei removes the kinetic restriction of nuclei growth, characteristic of oxide growth, at the expense of only oxygen atoms, and (ii) the higher the implantation energy the smoother the shape of ion range distribution in the target, which, in its turn, causes the predominance of the impurity sink over the impurity diffusion

Theoretical Modeling of Magnesium Ion Imprints in the Raman Scattering of Water

Czech Academy of Sciences Publication Activity Database

Kapitán, J.; Dračínský, Martin; Kaminský, Jakub; Benda, Ladislav; Bouř, Petr

2010-01-01

Roč. 114, č. 10 (2010), s. 3574-3582 ISSN 1520-6106 R&D Projects: GA ČR GA202/07/0732; GA AV ČR IAA400550702; GA AV ČR IAA400550701; GA ČR GPP208/10/P356 Grant - others:AV ČR(CZ) M200550902 Institutional research plan: CEZ:AV0Z40550506 Keywords : Raman spectroscopy * theoretical modelling * CPMD Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.603, year: 2010

Workshop report of problems relating to multi-electron excited ions in plasma

International Nuclear Information System (INIS)

Fujimoto, Takashi; Suzuki, Hiroshi; Takayanagi, Toshinobu; Koike, Fumihiro; Nakamura, Koji.

1979-08-01

A workshop was held to discuss the problems relating to multiple electron-excited ions in plasma. The first part of this report deals with the problems of satellite lines. The satellite lines from laser plasma and vacuum sparks are discussed. Review papers on satellite lines and bielectronic recombination are also presented. The second part of this report deals with the problems of autoionization. Theory, comment on the compound state, observation of autoionization and resonance scattering, excitation cross-section, inner shell ionization, excitation through autoionization, and the bielectronic recombination of helium-like ions are discussed. (Kato, T.)

Ion trajectories quadrupole mass filters

International Nuclear Information System (INIS)

Ursu, D.; Lupsa, N.; Muntean, F.

1994-01-01

The present paper aims at bringing some contributions to the understanding of ion motion in quadrupole mass filters. The theoretical treatment of quadrupole mass filter is intended to be a concise derivation of the important physical relationships using Mathieu functions. A simple iterative method of numerical computation has been used to simulate ion trajectories in an ideal quadrupole field. Finally, some examples of calculation are presented with the aid of computer graphics. (Author) 14 Figs., 1 Tab., 20 Refs

Ion mobilities and ion-atom interaction potentials

International Nuclear Information System (INIS)

Gatland, I.R.

1982-01-01

The techniques for measuring the mobilities of ions in gases, relating interaction potentials to mobilities, and determining potentials from experimental mobilities are reviewed. Applications are presented for positive alkali ions and negative halogen ions in inert gases. (Auth.)

Electron emission from solids induced by swift heavy ions

International Nuclear Information System (INIS)

Xiao Guoqing

2000-01-01

The recent progresses in experimental and theoretical studies of the collision between swift heavy ion and solids as well as electron emission induced by swift heavy ion in solids were briefly reviewed. Three models, Coulomb explosion, thermal spike and repulsive long-lived states, for interpreting the atomic displacements stimulated by the electronic energy loss were discussed. The experimental setup and methods for measuring the electron emission from solids were described. The signification deviation from a proportionality between total electron emission yields and electronic stopping power was found. Auger-electron and convoy-electron spectra are thought to be a probe for investigating the microscopic production mechanisms of the electronic irradiation-damage. Electron temperature and track potential at the center of nuclear tracks in C and polypropylene foils induced by 5 MeV/u heavy ions, which are related to the electronic excitation density in metals and insulators respectively, were extracted by measuring the high resolution electron spectra

Influence of nonelectrostatic ion-ion interactions on double-layer capacitance

Science.gov (United States)

Zhao, Hui

2012-11-01

Recently a Poisson-Helmholtz-Boltzmann (PHB) model [Bohinc , Phys. Rev. EPLEEE81539-375510.1103/PhysRevE.85.031130 85, 031130 (2012)] was developed by accounting for solvent-mediated nonelectrostatic ion-ion interactions. Nonelectrostatic interactions are described by a Yukawa-like pair potential. In the present work, we modify the PHB model by adding steric effects (finite ion size) into the free energy to derive governing equations. The modified PHB model is capable of capturing both ion specificity and ion crowding. This modified model is then employed to study the capacitance of the double layer. More specifically, we focus on the influence of nonelectrostatic ion-ion interactions on charging a double layer near a flat surface in the presence of steric effects. We numerically compute the differential capacitance as a function of the voltage under various conditions. At small voltages and low salt concentrations (dilute solution), we find out that the predictions from the modified PHB model are the same as those from the classical Poisson-Boltzmann theory, indicating that nonelectrostatic ion-ion interactions and steric effects are negligible. At moderate voltages, nonelectrostatic ion-ion interactions play an important role in determining the differential capacitance. Generally speaking, nonelectrostatic interactions decrease the capacitance because of additional nonelectrostatic repulsion among excess counterions inside the double layer. However, increasing the voltage gradually favors steric effects, which induce a condensed layer with crowding of counterions near the electrode. Accordingly, the predictions from the modified PHB model collapse onto those computed by the modified Poisson-Boltzmann theory considering steric effects alone. Finally, theoretical predictions are compared and favorably agree with experimental data, in particular, in concentrated solutions, leading one to conclude that the modified PHB model adequately predicts the diffuse

Center for Theoretical Underground Physics and Related Areas - CETUP*2013 Summer Program

Energy Technology Data Exchange (ETDEWEB)

Szczerbinska, Barbara [Dakota State Univ., Madison, SD (United States)

2014-06-01

In response to an increasing interest in experiments conducted at deep underground facilities around the world, in 2010 the theory community has proposed a new initiative - a Center for Theoretical Underground Physics and Related Areas (CETUP*). The main goal of CETUP* is to bring together people with different talents and skills to address the most exciting questions in particle and nuclear physics, astrophysics, geosciences, and geomicrobiology. Scientists invited to participate in the program do not only provide theoretical support to the underground science, they also examine underlying universal questions of the 21^st century including: What is dark matter?, What are the masses of neutrinos?, How have neutrinos shaped the evolution of the universe?, How were the elements from iron to uranium made?, What is the origin and thermal history of the Earth? The mission of the CETUP* is to promote an organized research in physics, astrophysics, geoscience, geomicrobiology and other fields related to the underground science via individual and collaborative research in dynamic atmosphere of intense scientific interactions. Our main goal is to bring together scientists scattered around the world, promote the deep underground science and provide a stimulating environment for creative thinking and open communication between researches of varying ages and nationalities. CETUP*2014 included 5 week long program (June 24 – July 26, 2013) covering various theoretical and experimental aspects of Dark Matter, Neutrino Physics and Astrophysics. Two week long session focused on Dark Matter (June 24-July 6) was followed by two week long program on Neutrino Physics and Astrophysics (July 15-26). The VII^th International Conference on Interconnections between Particle Physics and Cosmology (PPC) was sandwiched between these sessions (July 8-13) covering the subjects of dark matter, neutrino physics, gravitational waves, collider physics and other from both

Collective ion acceleration by means of virtual cathodes

International Nuclear Information System (INIS)

Peter, W.; Faehl, R.J.; Snell, C.; Jones, M.E.

1985-01-01

Experiments on collective ion acceleration by means of the formation of a virtual cathode have been carried out for a number of years in the Soviet Union and in the United States. Recently, there has been renewed interest in the subject as a possible means of accelerating ions to very high energies. By understanding the physics underlying the acceleration process it may be possible to determine the feasibility of virtual cathode staging for very high energy ion production. For this reason, a theoretical and computational effort is underway at Los Alamos in order to clarify the basic issues of collective ion acceleration by means of virtual cathodes. To support the theoretical effort, simulations were done with the fully electromagnetic and relativistic particle-in-cell code ISIS (in a one-dimensional mode) and the electrostatic one-dimensional code BIGONE. In the simulations, an electron beam of density 6 x 10 11 cm -3 is injected into a one-dimensional box of length L. To supply the necessary ions for collective acceleration, a plasma source containing both ions and electrons was initialized near the emitting boundary. Of prime interest in this study was to understand the dynamics of virtual cathode formation and the dynamics of the acceleration process for the ions. In particular, the question of whether the ions are accelerated by a moving potential well or hydrodynamic pressure due to ambipolar expansion is of primary interest. 3 refs., 5 figs

Department of Theoretical Physics - Overview

International Nuclear Information System (INIS)

Kwiecinski, J.

2000-01-01

Full text: Research activity of the Department of Theoretical Physics concerns theoretical high-energy and elementary particle physics, intermediate energy particle physics, theoretical nuclear physics, theory of nuclear matter, theory of quark-gluon plasma and of relativistic heavy-ion collisions, theoretical astrophysics and general physics. There is some emphasis on the phenomenological applications of the theoretical research, yet the more formal problems are also considered. The detailed summary of the research projects and of the results obtained in various fields is given in the abstracts. Our Department actively collaborates with other Departments of the Institute as well as with several scientific institutions both in Poland and abroad. In particular members of our Department participate in the EC network which allows mobility of researchers. Several members of our Department have also participated in the research projects funded by the Polish Committee for Scientific Research (KBN). The complete list of grants is listed separately. Besides pure research, members of our Department are also involved in graduate and undergraduate teaching activity both at our Institute as well as at other academic institutions in Cracow. At present five students are working for their Ph.D. or MSc degrees under supervision of the senior members from the Department. We continue our participation at the EC SOCRATES-ERASMUS educational programme which allows exchange of graduate students between our Department and the Department of Physics of the University of Durham in the UK. (author)

Ion beams from high-current PF facilities

Energy Technology Data Exchange (ETDEWEB)

Sadowski, M [Soltan Inst. for Nuclear Studies, Otwock-Swierk (Poland)

1997-12-31

Pulsed beams of fast deuterons and impurity or admixture ions emitted from high-current PF-type facilities operated in different laboratories are dealt with. A short comparative analysis of time-integrated and time-resolved studies is presented. Particular attention is paid to the microstructure of such ion beams, and to the verification of some theoretical models. (author). 5 figs., 19 refs.

Theoretical predictions of lactate and hydrogen ion distributions in tumours.

Directory of Open Access Journals (Sweden)

Maymona Al-Husari

Full Text Available High levels of lactate and H(+-ions play an important role in the invasive and metastatic cascade of some tumours. We develop a mathematical model of cellular pH regulation focusing on the activity of the Na(+/H(+ exchanger (NHE and the lactate/H(+ symporter (MCT to investigate the spatial correlations of extracellular lactate and H(+-ions. We highlight a crucial role for blood vessel perfusion rates in determining the spatial correlation between these two cations. We also predict critical roles for blood lactate, the activity of the MCTs and NHEs on the direction of the cellular pH gradient in the tumour. We also incorporate experimentally determined heterogeneous distributions of the NHE and MCT transporters. We show that this can give rise to a higher intracellular pH and a lower intracellular lactate but does not affect the direction of the reversed cellular pH gradient or redistribution of protons away from the glycolytic source. On the other hand, including intercellular gap junction communication in our model can give rise to a reversed cellular pH gradient and can influence the levels of pH.

Fundamentals of ion-solid interaction. A compact introduction

International Nuclear Information System (INIS)

Moeller, Wolfhard

2017-01-01

Since Rutherford's famous paper which first described the scattering of α-particles in matter, the field of ion-solid interaction has matured by now during one entire century. First theoretical concepts addressing particle penetration of solids were given by Thomson and Bohr. Quantum theory entered the field in treatments of ion stopping by Born and Bethe. Still on classical grounds, transport theory was first introduced in a paper on multiple scattering by Bothe. The discovery of nuclear fission launched theoretical studies by Bohr on the scattering and stopping of fission products. A further milestone in the understanding of particle penetration phenomena is the 1948 paper by Bohr. On this basis, the theoretical understanding was enhanced in the early 1960's in particular by a series of papers by Lindhard. Simultaneously, an increasing amount of experimental studies on ion stopping and scattering were launched in connection with the development of ion acceleration devices and corresponding equipment for particle detection. During this period, also first computer simulation studies came up which later proved to be an utmost efficient tool for the description of collisional phenomena in ion-solid interaction. The relevance for numerous applications became evident, such as for the compositional and structural analysis of thin films and near-surface layers, for semiconductor technology, and nuclear fission and fusion technology. This caused increasing interest not only in the penetration and the scattering of the impinging ions, but also in the modification of the irradiated material due to ion implantation, radiation damage and surface erosion by sputtering. Consequently, ion-solid interaction established around 1970 internationally as a quickly expanding field at the intersection of solid-state physics and nuclear physics. Numerous reviews and textbooks are available which cover the fundamentals of ion-solid interaction. Torrens reviewed the knowledge about

Fundamentals of ion-solid interaction. A compact introduction

Energy Technology Data Exchange (ETDEWEB)

Moeller, Wolfhard [Helmholtz-Zentrum Dresden-Rossendorf, Dresden (Germany). Inst. of Ion Beam Physics and Materials Research

2017-09-01

Since Rutherford's famous paper which first described the scattering of α-particles in matter, the field of ion-solid interaction has matured by now during one entire century. First theoretical concepts addressing particle penetration of solids were given by Thomson and Bohr. Quantum theory entered the field in treatments of ion stopping by Born and Bethe. Still on classical grounds, transport theory was first introduced in a paper on multiple scattering by Bothe. The discovery of nuclear fission launched theoretical studies by Bohr on the scattering and stopping of fission products. A further milestone in the understanding of particle penetration phenomena is the 1948 paper by Bohr. On this basis, the theoretical understanding was enhanced in the early 1960's in particular by a series of papers by Lindhard. Simultaneously, an increasing amount of experimental studies on ion stopping and scattering were launched in connection with the development of ion acceleration devices and corresponding equipment for particle detection. During this period, also first computer simulation studies came up which later proved to be an utmost efficient tool for the description of collisional phenomena in ion-solid interaction. The relevance for numerous applications became evident, such as for the compositional and structural analysis of thin films and near-surface layers, for semiconductor technology, and nuclear fission and fusion technology. This caused increasing interest not only in the penetration and the scattering of the impinging ions, but also in the modification of the irradiated material due to ion implantation, radiation damage and surface erosion by sputtering. Consequently, ion-solid interaction established around 1970 internationally as a quickly expanding field at the intersection of solid-state physics and nuclear physics. Numerous reviews and textbooks are available which cover the fundamentals of ion-solid interaction. Torrens reviewed the knowledge

Modelling the interaction of high energy ions with inert matter, living matter, and moving matter

International Nuclear Information System (INIS)

Beuve, Michael

2007-01-01

In this report for accreditation to supervise research (HDR), the author proposes a synthetic (and however relatively detailed) overview of his research works in the fields of physics and radiology. The first part addresses works in the field of interaction between ions and inert matter (Monte Carlo simulation of emission induced by ion-solid interaction, simulation by molecular dynamics of pulverization). The second part addresses the interaction between ions and living matter: research strategy, principle of the Local Effect Model (LEM) and influence of its main parameters, LEM experimental assessment, LEM theoretical analysis, role of the cell oxidizing and anti-oxidizing system. The next part addresses the interaction of ions with moving matter: research strategy, lung mechanics modelling and clinical assessments, chest wall mechanics, transformation of movements simulated in 4D scanner imagery

Distributed ion pump related transverse instability in CESR

Energy Technology Data Exchange (ETDEWEB)

Rogers, J T; Holmquist, T [Cornell Univ., Ithaca, NY (United States). Lab. of Nuclear Studies

1996-08-01

An anomalous damping or growth of transverse coupled bunch modes is observed in the Cornell Electron Storage Ring (CESR). The growth rates and tune shifts of these modes are a highly nonlinear function of current. Unlike an instability produced by the coupling impedance of the vacuum chamber, the magnitude of the growth rate first increases, then declines, as the beam current is increased. The effect is known to be related to the operation of the distributed ion pumps, as it disappears when the pumps are not powered. We review the observations of this effect, and show that it can be explained by the presence of electrons trapped in the CESR chamber by the field of the dipole magnets and the electrostatic leakage field of the distributed ion pumps. Photoelectrons are introduced into the chamber by synchrotron radiation and can be captured in or ejected from the chamber by the passage of the beam. The transverse position of the beam thus modulates the trapped photoelectron charge density, which in turn deflects the beam, creating growth or damping and a tune shift for each coupled bunch mode. Predictions of the dependence of growth rate and tune shift on bunch current and bunch pattern by a numerical model of this process are in approximate agreement with observations. (author)

Quantitative ion implantation

International Nuclear Information System (INIS)

Gries, W.H.

1976-06-01

This is a report of the study of the implantation of heavy ions at medium keV-energies into electrically conducting mono-elemental solids, at ion doses too small to cause significant loss of the implanted ions by resputtering. The study has been undertaken to investigate the possibility of accurate portioning of matter in submicrogram quantities, with some specific applications in mind. The problem is extensively investigated both on a theoretical level and in practice. A mathematical model is developed for calculating the loss of implanted ions by resputtering as a function of the implanted ion dose and the sputtering yield. Numerical data are produced therefrom which permit a good order-of-magnitude estimate of the loss for any ion/solid combination in which the ions are heavier than the solid atoms, and for any ion energy from 10 to 300 keV. The implanted ion dose is measured by integration of the ion beam current, and equipment and techniques are described which make possible the accurate integration of an ion current in an electromagnetic isotope separator. The methods are applied to two sample cases, one being a stable isotope, the other a radioisotope. In both cases independent methods are used to show that the implantation is indeed quantitative, as predicted. At the same time the sample cases are used to demonstrate two possible applications for quantitative ion implantation, viz. firstly for the manufacture of calibration standards for instrumental micromethods of elemental trace analysis in metals, and secondly for the determination of the half-lives of long-lived radioisotopes by a specific activity method. It is concluded that the present study has advanced quantitative ion implantation to the state where it can be successfully applied to the solution of problems in other fields

Thermoluminescent relative efficiencies of TLD-100 for nitrogen ions respect of gamma radiation

International Nuclear Information System (INIS)

Concha S, K.; Avila, O.; Gamboa de Buen, I.; Rodriguez V, M.; Buenfil, A.E.; Ruiz T, C.; Brandan, M.E.

2004-01-01

The purpose of this work is to measure the thermoluminescent relative efficiency of those TLD-100 dosemeters irradiated with nitrogen ions with respect to the gamma radiation of 60 Co, in function of the linear energy transfer (LET). Two energy of such nitrogen ions were selected that has the same value from LET when impacting in the dosemeters but with E 1 energy (4.8 MeV) and E 2 (9.95 MeV) smaller and greater respectively that the energy of the Bragg peak. (Author)

Theoretical and experimental comparison of proton and helium-beam radiography using silicon pixel detectors

Science.gov (United States)

Gehrke, T.; Amato, C.; Berke, S.; Martišíková, M.

2018-02-01

Ion-beam radiography (iRAD) could potentially improve the quality control of ion-beam therapy. The main advantage of iRAD is the possibility to directly measure the integrated stopping power. Until now there is no clinical implementation of iRAD. Topics of ongoing research include developing dedicated detection systems to achieve the desired spatial resolution (SR) and investigating different ion types as imaging radiation. This work focuses on the theoretical and experimental comparison of proton (pRAD) and helium-beam radiography (αRAD). The experimental comparison was performed with an in-house developed detection system consisting of silicon pixel detectors. This system enables the measurement of energy deposition of single ions, their tracking, and the identification of the ion type, which is important for αRAD due to secondary fragments. A 161 mm-thick PMMA phantom with an air gap of 1 mm placed at different depths was imaged with a 168 MeV u-1 proton/helium-ion beam at the Heidelberg ion-beam therapy center. The image quality in terms of SR and contrast-to-noise ratio (CNR) was evaluated. After validating MC simulations against experiments, pRAD and αRAD were compared to carbon-beam radiography (cRAD) in simulations. The theoretical prediction that the CNR of pRAD and αRAD is equal at similar imaging doses was experimentally confirmed. The measured SR of αRAD was 55% better compared to pRAD. The simulated cRads showed the expected improvement in SR and the decreased CNR at the same dose compared to the αRads, however only at dose levels exceeding typical doses of diagnostic x-ray projections. For clinically applicable dose levels, the cRads suffered from an insufficient number of carbon ions per pixel (220 μm  ×  220 μm). In conclusion, it was theoretically and experimentally shown that αRAD provides a better SR than pRAD without any disadvantages concerning the CNR. Using carbon ions instead of helium ions leads to a better SR at the

The ion-step induced response of membrane-coated ISFETs: theoretical description and experimental verification

NARCIS (Netherlands)

Schasfoort, Richardus B.M.; Bergveld, Piet; Kooyman, R.P.H.; Greve, Jan

1991-01-01

Recently a new method was introduced to operate an immunological field effect transistor (ImmunoFET). By changing the electrolyte concentration of the sample solution stepwise (the so-called ion-step), a transient diffusion of ions through the membrane-protein layer occurs, resulting in a transient

Dispersion relation approach to sub-barrier heavy ion fusion reactions

International Nuclear Information System (INIS)

Franzin, V.L.M.; Hussein, M.S.

1986-07-01

With the aid of an inverse dispersion relation, which gives the imaginary part of the fusion inclusive polarization potential (IPP) in terms of the principal part integral involving the real part of the IPP, the sub-barrier fusion of heavy ions is discussed. The system 16 O+ A Sm is taken as an example. The reactive content of the extracted IPP is analysed within the coupled channels theory. (Author) [pt

A modified theoretical Σ − D relation for supernova remnants: I. The case of constant temperature within the supernova remnant

Directory of Open Access Journals (Sweden)

Urošević Dejan V.

2003-01-01

Full Text Available We present a modification of the theoretical Σ − D relation for supernova remnants (SNRs in the adiabatic expansion phase. This modification is based on the convolution of the relation first derived by Shklovsky with the Σ − D relation derived in this paper for thermal bremsstrahlung radiation from the ionized gas cloud. We adopt McKee & Ostriker’s model for the components of the interstellar medium as part of our derivation. The modified Shklovsky theory agrees well with empirical results. Kesteven’s modified theoretical relation gives the best agreement with the updated Galactic empirical Σ − D relation.

Application of silicene, germanene and stanene for Na or Li ion storage: A theoretical investigation

International Nuclear Information System (INIS)

Mortazavi, Bohayra; Dianat, Arezoo; Cuniberti, Gianaurelio; Rabczuk, Timon

2016-01-01

Silicene, germanene and stanene likely to graphene are atomic thick material with interesting properties. We employed first-principles density functional theory (DFT) calculations to investigate and compare the interaction of Na or Li ions on these films. We first identified the most stable binding sites and their corresponding binding energies for a single Na or Li adatom on the considered membranes. Then we gradually increased the ions concentration until the full saturation of the surfaces is achieved. Our Bader charge analysis confirmed complete charge transfer between Li or Na ions with the studied 2D sheets. We then utilized nudged elastic band method to analyze and compare the energy barriers for Li or Na ions diffusions along the surface and through the films thicknesses. Our investigation findings can be useful for the potential application of silicene, germanene and stanene for Na or Li ion batteries.

Observation of the backward electrostatic ion-cyclotron wave

International Nuclear Information System (INIS)

Goree, J.; Ono, M.; Wong, K.L.

1985-01-01

The backward branch of the electrostatic ion-cyclotron wave has been observed for the first time. The wave, which was driven by a phased antenna structure inserted in a neon plasma, exists in the parameter ranges 2T/sub i//m/sub i/ 2 or approx. =T/sub i/, and ω/sub p/i > Ω/sub i/. Double-tip probe interferometry data agree with the theoretical dispersion relation. The antenna couples into the wave more readily on the side of the antenna where it has its smallest wavenumber

Proceedings of the workshop on vacuum arc ion sources

International Nuclear Information System (INIS)

Brown, I.

1996-08-01

Topics included in the papers presented at this conference are: vacuum arc ion source development at GSI (Gesellschaft fuer Schwerionenforschung, Germany), ITEP (Institute for Theoretical and Experimental Physics, Russia), Lawrence Berkeley Laboratory, and ANSTO (Australian Nuclear Science and Technology Organization); triggers for vacuum arc sources; plasma distribution of cathodic arc deposition system; high ion charge states in vacuum arc ion sources; and gas and metal ion sources. Selected papers are indexed separately for inclusion in the Energy Science and Technology Database

Quasi-monoenergetic ion beam acceleration by laser-driven shock and solitary waves in near-critical plasmas

International Nuclear Information System (INIS)

Zhang, W. L.; Qiao, B.; Huang, T. W.; Shen, X. F.; You, W. Y.; Yan, X. Q.; Wu, S. Z.; Zhou, C. T.; He, X. T.

2016-01-01

Ion acceleration in near-critical plasmas driven by intense laser pulses is investigated theoretically and numerically. A theoretical model has been given for clarification of the ion acceleration dynamics in relation to different laser and target parameters. Two distinct regimes have been identified, where ions are accelerated by, respectively, the laser-induced shock wave in the weakly driven regime (comparatively low laser intensity) and the nonlinear solitary wave in the strongly driven regime (comparatively high laser intensity). Two-dimensional particle-in-cell simulations show that quasi-monoenergetic proton beams with a peak energy of 94.6 MeV and an energy spread 15.8% are obtained by intense laser pulses at intensity I_0 = 3 × 10"2"0" W/cm"2 and pulse duration τ = 0.5 ps in the strongly driven regime, which is more advantageous than that got in the weakly driven regime. In addition, 233 MeV proton beams with narrow spread can be produced by extending τ to 1.0 ps in the strongly driven regime.

Quasi-monoenergetic ion beam acceleration by laser-driven shock and solitary waves in near-critical plasmas

Energy Technology Data Exchange (ETDEWEB)

Zhang, W. L.; Qiao, B., E-mail: bqiao@pku.edu.cn; Huang, T. W.; Shen, X. F.; You, W. Y. [Center for Applied Physics and Technology, HEDPS, and State Key Laboratory of Nuclear Physics and Technology, School of Physics, Peking University, Beijing 100871 (China); Collaborative Innovation Center of Extreme Optics, Shanxi University, Taiyuan, Shanxi 030006 (China); Yan, X. Q. [Center for Applied Physics and Technology, HEDPS, and State Key Laboratory of Nuclear Physics and Technology, School of Physics, Peking University, Beijing 100871 (China); Wu, S. Z. [Institute of Applied Physics and Computational Mathematics, Beijing 100094 (China); Zhou, C. T.; He, X. T. [Center for Applied Physics and Technology, HEDPS, and State Key Laboratory of Nuclear Physics and Technology, School of Physics, Peking University, Beijing 100871 (China); Institute of Applied Physics and Computational Mathematics, Beijing 100094 (China)

2016-07-15

Ion acceleration in near-critical plasmas driven by intense laser pulses is investigated theoretically and numerically. A theoretical model has been given for clarification of the ion acceleration dynamics in relation to different laser and target parameters. Two distinct regimes have been identified, where ions are accelerated by, respectively, the laser-induced shock wave in the weakly driven regime (comparatively low laser intensity) and the nonlinear solitary wave in the strongly driven regime (comparatively high laser intensity). Two-dimensional particle-in-cell simulations show that quasi-monoenergetic proton beams with a peak energy of 94.6 MeV and an energy spread 15.8% are obtained by intense laser pulses at intensity I{sub 0} = 3 × 10{sup 20 }W/cm{sup 2} and pulse duration τ = 0.5 ps in the strongly driven regime, which is more advantageous than that got in the weakly driven regime. In addition, 233 MeV proton beams with narrow spread can be produced by extending τ to 1.0 ps in the strongly driven regime.

Ion beam enhancement in magnetically insulated ion diodes for high-intensity pulsed ion beam generation in non-relativistic mode

Energy Technology Data Exchange (ETDEWEB)

Zhu, X. P. [Key Laboratory of Materials Modification by Laser, Ion, and Electron Beams, Ministry of Education, Dalian University of Technology, Dalian 116024 (China); Surface Engineering Laboratory, School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024 (China); Zhang, Z. C.; Lei, M. K., E-mail: surfeng@dlut.edu.cn [Surface Engineering Laboratory, School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024 (China); Pushkarev, A. I. [Surface Engineering Laboratory, School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024 (China); Laboratory of Beam and Plasma Technology, High Technologies Physics Institute, Tomsk Polytechnic University, 30, Lenin Ave, 634050 Tomsk (Russian Federation)

2016-01-15

High-intensity pulsed ion beam (HIPIB) with ion current density above Child-Langmuir limit is achieved by extracting ion beam from anode plasma of ion diodes with suppressing electron flow under magnetic field insulation. It was theoretically estimated that with increasing the magnetic field, a maximal value of ion current density may reach nearly 3 times that of Child-Langmuir limit in a non-relativistic mode and close to 6 times in a highly relativistic mode. In this study, the behavior of ion beam enhancement by magnetic insulation is systematically investigated in three types of magnetically insulated ion diodes (MIDs) with passive anode, taking into account the anode plasma generation process on the anode surface. A maximal enhancement factor higher than 6 over the Child-Langmuir limit can be obtained in the non-relativistic mode with accelerating voltage of 200–300 kV. The MIDs differ in two anode plasma formation mechanisms, i.e., surface flashover of a dielectric coating on the anode and explosive emission of electrons from the anode, as well as in two insulation modes of external-magnetic field and self-magnetic field with either non-closed or closed drift of electrons in the anode-cathode (A-K) gap, respectively. Combined with ion current density measurement, energy density characterization is employed to resolve the spatial distribution of energy density before focusing for exploring the ion beam generation process. Consistent results are obtained on three types of MIDs concerning control of neutralizing electron flows for the space charge of ions where the high ion beam enhancement is determined by effective electron neutralization in the A-K gap, while the HIPIB composition of different ion species downstream from the diode may be considerably affected by the ion beam neutralization during propagation.

Exotic phenomena in collisions of heavy ions

International Nuclear Information System (INIS)

Soff, G.; Schramm, S.; Reus, T. de; Mehler, G.; Reinhardt, J.; Mueller, B.; Greiner, W.; Mueller, U.

1985-08-01

To exemplify current theoretical investigations we discuss three different topics. After a presentation of the underlying theoretical framework for ionization processes we will sketch the possibility to employ delta-electron emission as a clock to measure nuclear reaction times in intermediate energy collisions of very heavy ions. Besides the phenomenon of vacuum decay into a new twofold negatively charged stable vacuum ground state, electron excitation in heavy ion collisions may be employed for the determination of delay and deceleration times on the nuclear time scale, i.e. offering an atomic clock, operating in the range 10 -21 -10 -24 s. In deep-inelastic heavy ion collisions this provides a test for classical nuclear reaction models. In collisions at intermediate energies an independent measurement of the deceleration time is of interest for comparison, e.g., with the results of the pion bremsstrahlung model. After that we investigate the influence of one or more pockets in the ion scattering potential on the energy distribution of emitted positrons within a quantum mechanical framework. Finally we very briefly consider some phenomenological corrections to the Dirac equation and its consequences on electron binding energies in heavy and superheavy atoms. (orig./HSI)

The alteration of oxidation and related properties of metals by ion implantation

International Nuclear Information System (INIS)

Dearnaley, G.

1981-01-01

A review is given of the various ways in which ion implanted additives can affect the thermal oxidation of metals, for example by blocking diffusion paths for ions, by catalytic effects or by altering the plasticity of the oxide. The versatility of the process has already proved useful in the study of oxidation mechanisms. Ways of achieving a long-lasting protection are discussed in relation to the dominant mechanisms of oxidation inhibition. In many practical applications at elevated temperatures oxidation and mechanical stresses co-exist. In steels the process of oxidative wear is important under conditions of poor lubrication and implanted metallic ions have been shown to be effective. In titanium alloys fatigue cracks probably initiate at dislocation sites at which oxidation proceeds most rapidly, and hence the same implanted species can improve both types of behaviour. Successful implantation treatments for fretting fatigue in titanium and a corrosion-erosion problem in steel are described. (orig.)

Theoretical lifetimes and fluorescence yields for multiply-ionized fluorine

International Nuclear Information System (INIS)

Tunnell, T.W.; Can, C.; Bhalla, C.P.

1978-01-01

Theoretical lifetimes and multiplet partial fluorescence yields for various fluorine ions with a single K-shell vacancy were calculated. For few-electron systems, the lifetimes and line fluorescence yields were computed in the intermediate coupling scheme with the inclusion of the effects arising from configuration interactions. 6 references

Theoretical modeling of the plasma-assisted catalytic growth and field emission properties of graphene sheet

International Nuclear Information System (INIS)

Sharma, Suresh C.; Gupta, Neha

2015-01-01

A theoretical modeling for the catalyst-assisted growth of graphene sheet in the presence of plasma has been investigated. It is observed that the plasma parameters can strongly affect the growth and field emission properties of graphene sheet. The model developed accounts for the charging rate of the graphene sheet; number density of electrons, ions, and neutral atoms; various elementary processes on the surface of the catalyst nanoparticle; surface diffusion and accretion of ions; and formation of carbon-clusters and large graphene islands. In our investigation, it is found that the thickness of the graphene sheet decreases with the plasma parameters, number density of hydrogen ions and RF power, and consequently, the field emission of electrons from the graphene sheet surface increases. The time evolution of the height of graphene sheet with ion density and sticking coefficient of carbon species has also been examined. Some of our theoretical results are in compliance with the experimental observations

Quarkonia at finite temperature in relativistic heavy-ion collisions

Indian Academy of Sciences (India)

2015-05-06

May 6, 2015 ... The behaviour of quarkonia in relativistic heavy-ion collisions is reviewed. After a detailed discussion of the current theoretical understanding of quarkonia in a static equilibriated plasma, we discuss quarkonia yield from the fireball created in ultrarelativistic heavy-ion collision experiments. We end with a ...

Relative Free Energies for Hydration of Monovalent Ions from QM and QM/MM Simulations.

Science.gov (United States)

Lev, Bogdan; Roux, Benoît; Noskov, Sergei Yu

2013-09-10

Methods directly evaluating the hydration structure and thermodynamics of physiologically relevant cations (Na(+), K(+), Cl(-), etc.) have wide ranging applications in the fields of inorganic, physical, and biological chemistry. All-atom simulations based on accurate potential energy surfaces appear to offer a viable option for assessing the chemistry of ion solvation. Although MD and free energy simulations of ion solvation with classical force fields have proven their usefulness, a number of challenges still remain. One of them is the difficulty of force field benchmarking and validation against structural and thermodynamic data obtained for a condensed phase. Hybrid quantum mechanical/molecular mechanical (QM/MM) models combined with sampling algorithms have the potential to provide an accurate solvation model and to incorporate the effects from the surrounding, which is often missing in gas-phase ab initio computations. Herein, we report the results from QM/MM free energy simulations of Na(+)/K(+) and Cl(-)/Br(-) hydration where we simultaneously characterized the relative thermodynamics of ion solvation and changes in the solvation structure. The Flexible Inner Region Ensemble Separator (FIRES) method was used to impose a spatial separation between QM region and the outer sphere of solvent molecules treated with the CHARMM27 force field. FEP calculations based on QM/MM simulations utilizing the CHARMM/deMon2k interface were performed with different basis set combinations for K(+)/Na(+) and Cl(-)/Br(-) perturbations to establish the dependence of the computed free energies on the basis set level. The dependence of the computed relative free energies on the size of the QM and MM regions is discussed. The current methodology offers an accurate description of structural and thermodynamic aspects of the hydration of alkali and halide ions in neat solvents and can be used to obtain thermodynamic data on ion solvation in condensed phase along with underlying

High harmonic ion cyclotron heating in DIII-D: Beam ion absorption and sawtooth stabilization

International Nuclear Information System (INIS)

Heidbrink, W.W.; Fredrickson, E.D.; Mau, T.K.; Petty, C.C.; Pinsker, R.I.; Porkolab, M.; Rice, B.W.

1999-01-01

Combined neutral beam injection and fast wave heating at the fourth cyclotron harmonic produce an energetic deuterium beam ion tail in the DIII-D tokamak. When the concentration of thermal hydrogen exceeds ∼ 5%, the beam ion absorption is suppressed in favour of second harmonic hydrogen absorption. As theoretically expected, the beam absorption increases with beam ion gyro-radius; also, central absorption at the fifth harmonic is weaker than central absorption at the fourth harmonic. For central heating at the fourth harmonic, an energetic, perpendicular, beam population forms inside the q = 1 surface. The beam ion tail transiently stabilizes the sawtooth instability but destabilizes toroidicity induced Alfven eigenmodes (TAEs). Saturation of the central heating correlates with the onset of the TAEs. Continued expansion of the q = 1 radius eventually precipitates a sawtooth crash; complete magnetic reconnection is observed. (author)

Theoretical study of β-decay of a negative tritium ion

International Nuclear Information System (INIS)

Goryaev, F.F.; Sukhanov, L.P.

1997-01-01

A calculation of the probability of the main β-decay channel of a negative tritium ion is described as one of the processes that can affect the β-spectrum of a tritium source near the end point. The appropriate energy parameters have been calculated. This process should be taken into account in interpreting measured β-spectra near the end point in connection with determining the neutrino rest mass

Theoretical and observational analysis of individual ionizing particle effects in biological tissue

International Nuclear Information System (INIS)

Nelson, A.C.

1980-11-01

The microstructural damage to living tissue caused by heavy ion radiation was studied. Preliminary tests on rat corneal tissue, rat cerebellar tissue grown in culture, and rat retinal tissue indicated that the best assay for heavy ion damage is the rat cornea. The corneal tissue of the living rat was exposed to beams of carbon at 474 MeV/amu, neon at 8.5 MeV/amu, argon at 8.5 MeV/amu, silicon at 530 MeV/amu, iron at 500 MeV/amu, and iron at 600 MeV/amu. X-rays were also used on corneas to compare with the heavy ion irradiated corneas. Scanning electron microscopy revealed lesions with circular symmetry on the external plasma membranes of corneal epithelium which were irradiated with heavy ions, but similar lesions were not observed on the plasma membranes of x-ray irradiated or non-irradiated control samples. These data verify the special way in which heavy ions interact with matter: each ion interacts coulombically with electrons all along its trajectory to generate a track. The dose from heavy ion radiation is not distributed homogeneously on a tissue microstructural scale but is concentrated along the individual particle track. Even along a single particle track the dose is discontinuous except at the Bragg peak when the LET is maximum. Micrographs of heavy-ion-irradiated corneas demonstrated two significant correlations with the heavy ion beam: (1) the number of plasma membrane lesions per unit area was correlated with the particle fluence, and (2) the diameter of the lesions were linearly related to the energy loss or LET of the individual particle. These observations corroborate what has already been suggested theoretically about heavy ion tracks and what has been shown experimentally. But the new data indicate that particle tracks occur in biological tissues as well, and that a single heavy ion is responsible for each membrane lesion

Theoretical and observational analysis of individual ionizing particle effects in biological tissue

Energy Technology Data Exchange (ETDEWEB)

Nelson, A.C.

1980-11-01

The microstructural damage to living tissue caused by heavy ion radiation was studied. Preliminary tests on rat corneal tissue, rat cerebellar tissue grown in culture, and rat retinal tissue indicated that the best assay for heavy ion damage is the rat cornea. The corneal tissue of the living rat was exposed to beams of carbon at 474 MeV/amu, neon at 8.5 MeV/amu, argon at 8.5 MeV/amu, silicon at 530 MeV/amu, iron at 500 MeV/amu, and iron at 600 MeV/amu. X-rays were also used on corneas to compare with the heavy ion irradiated corneas. Scanning electron microscopy revealed lesions with circular symmetry on the external plasma membranes of corneal epithelium which were irradiated with heavy ions, but similar lesions were not observed on the plasma membranes of x-ray irradiated or non-irradiated control samples. These data verify the special way in which heavy ions interact with matter: each ion interacts coulombically with electrons all along its trajectory to generate a track. The dose from heavy ion radiation is not distributed homogeneously on a tissue microstructural scale but is concentrated along the individual particle track. Even along a single particle track the dose is discontinuous except at the Bragg peak when the LET is maximum. Micrographs of heavy-ion-irradiated corneas demonstrated two significant correlations with the heavy ion beam: (1) the number of plasma membrane lesions per unit area was correlated with the particle fluence, and (2) the diameter of the lesions were linearly related to the energy loss or LET of the individual particle. These observations corroborate what has already been suggested theoretically about heavy ion tracks and what has been shown experimentally. But the new data indicate that particle tracks occur in biological tissues as well, and that a single heavy ion is responsible for each membrane lesion. (ERB)

Importance of diffuse metal ion binding to RNA.

Science.gov (United States)

Tan, Zhi-Jie; Chen, Shi-Jie

2011-01-01

RNAs are highly charged polyanionic molecules. RNA structure and function are strongly correlated with the ionic condition of the solution. The primary focus of this article is on the role of diffusive ions in RNA folding. Due to the long-range nature of electrostatic interactions, the diffuse ions can contribute significantly to RNA structural stability and folding kinetics. We present an overview of the experimental findings as well as the theoretical developments on the diffuse ion effects in RNA folding. This review places heavy emphasis on the effect of magnesium ions. Magnesium ions play a highly efficient role in stabilizing RNA tertiary structures and promoting tertiary structural folding. The highly efficient role goes beyond the mean-field effect such as the ionic strength. In addition to the effects of specific ion binding and ion dehydration, ion-ion correlation for the diffuse ions can contribute to the efficient role of the multivalent ions such as the magnesium ions in RNA folding.

Ionization efficiency calculations for cavity thermoionization ion source

International Nuclear Information System (INIS)

Turek, M.; Pyszniak, K.; Drozdziel, A.; Sielanko, J.; Maczka, D.; Yuskevich, Yu.V.; Vaganov, Yu.A.

2009-01-01

The numerical model of ionization in a thermoionization ion source is presented. The review of ion source ionization efficiency calculation results for various kinds of extraction field is given. The dependence of ionization efficiency on working parameters like ionizer length and extraction voltage is discussed. Numerical simulations results are compared to theoretical predictions obtained from a simplified ionization model

Entropy and Multifractality in Relativistic Ion-Ion Collisions

Directory of Open Access Journals (Sweden)

Shaista Khan

2018-01-01

Full Text Available Entropy production in multiparticle systems is investigated by analyzing the experimental data on ion-ion collisions at AGS and SPS energies and comparing the findings with those reported earlier for hadron-hadron, hadron-nucleus, and nucleus-nucleus collisions. It is observed that the entropy produced in limited and full phase space, when normalized to maximum rapidity, exhibits a kind of scaling which is nicely supported by Monte Carlo model HIJING. Using Rényi’s order q information entropy, multifractal characteristics of particle production are examined in terms of generalized dimensions, Dq. Nearly the same values of multifractal specific heat, c, observed in hadronic and ion-ion collisions over a wide range of incident energies suggest that the quantity c might be used as a universal characteristic of multiparticle production in hadron-hadron, hadron-nucleus, and nucleus-nucleus collisions. The analysis is extended to the study of spectrum of scaling indices. The findings reveal that Rényi’s order q information entropy could be another way to investigate the fluctuations in multiplicity distributions in terms of spectral function f(α, which has been argued to be a convenient function for comparison sake not only among different experiments but also between the data and theoretical models.

Theoretical study on the sound absorption of electrolytic solutions. I. Theoretical formulation

Science.gov (United States)

Yamaguchi, T.; Matsuoka, T.; Koda, S.

2007-04-01

A theory is formulated that describes the sound absorption of electrolytic solutions due to the relative motion of ions, including the formation of ion pairs. The theory is based on the Kubo-Green formula for the bulk viscosity. The time correlation function of the pressure is projected onto the bilinear product of the density modes of ions. The time development of the product of density modes is described by the diffusive limit of the generalized Langevin equation, and approximate expressions for the three- and four-body correlation functions required are given with the hypernetted-chain integral equation theory. Calculations on the aqueous solutions of model electrolytes are performed. It is demonstrated that the theory describes both the activated barrier crossing between contact and solvent-separated ion pairs and the Coulombic correlation between ions.

Theoretical ion implantation profiles for low energy protons under channeling conditions

International Nuclear Information System (INIS)

Nobel, J.A.; Sabin, J.R.; Trickey, S.B.

1994-01-01

The authors present early results from the CHANNEL code, which simulates the passage of ionized projectiles through bulk solids. CHANNEL solves the classical equations of motion for the projectile using a force obtained from the gradient of the quantum mechanically derived coulombic potential of the solid (determined via a full potential augmented plane wave (FLAPW) calculation on the bulk) and a quantum mechanical energy dissipation term, the stopping power, as determined from the method of Echenique, Neiminen, and Ritchie. The code then generates the trajectory of the ionic projectile for a given incident position on the unit cell face and an initial velocity. The authors use CHANNEL to generate an ion (proton) implantation profile for the test case of simple cubic hydrogen with the projectile's initial velocity parallel to the (100) channel. Further preliminary results for ion implantation profiles of protons in diamond structure Si, with initial velocity along the (100) and (110) channels, are given

Measurement of the density profile of pure and seeded molecular beams by femtosecond ion imaging

Energy Technology Data Exchange (ETDEWEB)

Meng, Congsen [LaserLaB Amsterdam, VU University Amsterdam, de Boelelaan 1083, 1081 HV Amsterdam (Netherlands); Department of Physics, National University of Defense Technology, Changsha 410073 (China); Janssen, Maurice H. M. [LaserLaB Amsterdam, VU University Amsterdam, de Boelelaan 1083, 1081 HV Amsterdam (Netherlands)

2015-02-15

Here, we report on femtosecond ion imaging experiments to measure the density profile of a pulsed supersonic molecular beam. Ion images are measured for both a molecular beam and bulk gas under identical experimental conditions via femtosecond multiphoton ionization of Xe atoms. We report the density profile of the molecular beam, and the measured absolute density is compared with theoretical calculations of the centre line beam density. Subsequently, we discuss reasons accounting for the differences between measurements and calculations and propose that strong skimmer interference is the most probable cause for the differences. Furthermore, we report on experiments measuring the centre line density of seeded supersonic beams. The femtosecond ion images show that seeding the heavy Xe atom at low relative seed fractions (1%-10%) in a light carrier gas like Ne results in strong relative enhancements of up to two orders of magnitude.

Microwave plasma ion sources for selected ion flow tube mass spectrometry: Optimizing their performance and detection limits for trace gas analysis

Czech Academy of Sciences Publication Activity Database

Španěl, Patrik; Dryahina, Kseniya; Smith, D.

2007-01-01

Roč. 267, 1-3 (2007), s. 117-124 ISSN 1387-3806 R&D Projects: GA ČR GA202/06/0776 Institutional research plan: CEZ:AV0Z40400503 Keywords : microwave plasma ion source * selected ion flow tube mass spectrometry * SIFT-MS * breath analysis Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.411, year: 2007

Theoretical interpretation of data from high-energy nuclear collisions

International Nuclear Information System (INIS)

Fai, G.

1988-09-01

Nuclear collision data at energies ranging from medium to relativistic are interpreted theoretically. The major objective is a better understanding of high-energy heavy-ion collisions, with particular emphasis on the properties of excited nuclear matter. Further progress towards a satisfactory description of excited subsaturation nuclear matter is achieved. The mean free path of a nucleon in nuclear matter, which is a critical parameter in assessing the applicability of certain nuclear collision models, is investigated. Experimental information is used together with theoretical concepts in collaborations with experimentalists in order to learn about the reaction mechanism and about excited nuclear matter properties. In the framework of a more strictly theoretical program development, subnuclear degrees of freedom and nonlinear phenomena in model field theories are studied

Observation of fast-ion Doppler-shifted cyclotron resonance with shear Alfven waves

International Nuclear Information System (INIS)

Zhang Yang; Heidbrink, W. W.; Boehmer, H.; McWilliams, R.; Vincena, S.; Carter, T. A.; Gekelman, W.; Leneman, D.; Pribyl, P.

2008-01-01

The Doppler-shifted cyclotron resonance (ω-k z v z =Ω f ) between fast ions and shear Alfven waves is experimentally investigated (ω, wave frequency; k z , axial wavenumber; v z , fast-ion axial speed; Ω f , fast-ion cyclotron frequency). A test particle beam of fast ions is launched by a Li + source in the helium plasma of the LArge Plasma Device (LAPD) [W. Gekelman, H. Pfister, Z. Lucky, J. Bamber, D. Leneman, and J. Maggs, Rev. Sci. Instrum. 62, 2875 (1991)], with shear Alfven waves (SAW) (amplitude δ B/B up to 1%) launched by a loop antenna. A collimated fast-ion energy analyzer measures the nonclassical spreading of the beam, which is proportional to the resonance with the wave. A resonance spectrum is observed by launching SAWs at 0.3-0.8ω ci . Both the magnitude and frequency dependence of the beam-spreading are in agreement with the theoretical prediction using a Monte Carlo Lorentz code that launches fast ions with an initial spread in real/velocity space and random phases relative to the wave. Measured wave magnetic field data are used in the simulation.

Polymer Conformations in Ionic Microgels in the Presence of Salt: Theoretical and Mesoscale Simulation Results

Directory of Open Access Journals (Sweden)

Hideki Kobayashi

2017-01-01

Full Text Available We investigate the conformational properties of polymers in ionic microgels in the presence of salt ions by molecular dynamics simulations and analytical theory. A microgel particle consists of coarse-grained linear polymers, which are tetra-functionally crosslinked. Counterions and salt ions are taken into account explicitly, and charge-charge interactions are described by the Coulomb potential. By varying the charge interaction strength and salt concentration, we characterize the swelling of the polyelectrolytes and the charge distribution. In particular, we determine the amount of trapped mobile charges inside the microgel and the Debye screening length. Moreover, we analyze the polymer extension theoretically in terms of the tension blob model taking into account counterions and salt ions implicitly by the Debye–Hückel model. Our studies reveal a strong dependence of the amount of ions absorbed in the interior of the microgel on the electrostatic interaction strength, which is related to the degree of the gel swelling. This implies a dependence of the inverse Debye screening length κ on the ion concentration; we find a power-law increase of κ with the Coulomb interaction strength with the exponent 3 / 5 for a salt-free microgel and an exponent 1 / 2 for moderate salt concentrations. Additionally, the radial dependence of polymer conformations and ion distributions is addressed.

Multiple Electron Stripping of Heavy Ion Beams

International Nuclear Information System (INIS)

Mueller, D.; Grisham, L.; Kaganovich, I.; Watson, R. L.; Horvat, V.; Zaharakis, K. E.; Peng, Y.

2002-01-01

One approach being explored as a route to practical fusion energy uses heavy ion beams focused on an indirect drive target. Such beams will lose electrons while passing through background gas in the target chamber, and therefore it is necessary to assess the rate at which the charge state of the incident beam evolves on the way to the target. Accelerators designed primarily for nuclear physics or high energy physics experiments utilize ion sources that generate highly stripped ions in order to achieve high energies economically. As a result, accelerators capable of producing heavy ion beams of 10 to 40 Mev/amu with charge state 1 currently do not exist. Hence, the stripping cross-sections used to model the performance of heavy ion fusion driver beams have, up to now, been based upon theoretical calculations. We have investigated experimentally the stripping of 3.4 Mev/amu Kr 7+ and Xe +11 in N2; 10.2 MeV/amu Ar +6 in He, N2, Ar and Xe; 19 MeV/amu Ar +8 in He, N2, Ar and Xe; 30 MeV He 1 + in He, N2, Ar and Xe; and 38 MeV/amu N +6 in He, N2, Ar and Xe. The results of these measurements are compared with the theoretical calculations to assess their applicability over a wide range of parameters

Heavy ion collisions at energies near the Coulomb barrier 1990

International Nuclear Information System (INIS)

Nagarajan, M.A.

1991-01-01

During recent years, detailed experimental and theoretical investigations have been carried out on heavy ion collisions at energies close to the Coulomb barrier. These studies have provided direct evidence of strong couplings between the various reaction channels available at energies near the top of the Coulomb barrier. This field of research has remained the focus of interest and with improved experimental techniques, new detailed high resolution data have been obtained. The workshop on ''Heavy Ion Collisions at Energies Close to the Coulomb Barrier'' was organized with the aim of reviewing the current understanding of the collision dynamics and to discuss future directions in this area of research. The topics discussed at the workshop were broadly classified under the titles: quasielastic reactions; fusion of heavy ions; and shape and spin dependence in heavy ion collisions. The last of these topics was included to review new data obtained with polarized heavy ions and their theoretical interpretations. This volume contains the invited and contributed talks as well as a few short presentations during panel discussions. (author)

Ion acceleration by radiation pressure in thin and thick targets

Energy Technology Data Exchange (ETDEWEB)

Macchi, Andrea, E-mail: macchi@df.unipi.i [CNR/INFM/polyLAB, Pisa (Italy); Dipartimento di Fisica ' Enrico Fermi' , Largo Bruno Pontecorvo 3, I-56127 Pisa (Italy); Benedetti, Carlo, E-mail: Carlo.Benedetti@bo.infn.i [Dipartimento di Fisica, Universita di Bologna and INFN, Via Irnerio 46, I-40126 Bologna (Italy)

2010-08-01

Radiation Pressure Acceleration (RPA) by circularly polarized laser pulses is emerging as a promising way to obtain efficient acceleration of ions. We briefly review theoretical work on the topic, aiming at characterizing suitable experimental scenarios. We discuss the two reference cases of RPA, namely the thick target ('Hole Boring') and the (ultra)thin target ('Light Sail') regimes. The different scaling laws of the two regimes, the related experimental challenges and their suitability for foreseen applications are discussed.

Electron ejection from solids induced by fast highly-charged ions

Energy Technology Data Exchange (ETDEWEB)

Schiwietz, G. [Hahn-Meitner-Inst. GmbH, Berlin (Germany). Abt. FD; Xiao, G. [Hahn-Meitner-Inst. GmbH, Berlin (Germany). Abt. FD

1996-02-01

Total electron-ejection yields and Auger-electron spectra for highly-charged ions interacting with different foil targets have been investigated in this work. New experimental and theoretical data for normal incident 5 MeV/u heavy ions on graphite and polypropylene foils are presented and discussed. These two materials have been selected as model systems representing conductors and insulator targets. Our measured projectile nuclear-charge dependence of the total electron yield from carbon foils clearly deviates from results of some transport models that predict a proportionality with respect to the electronic stopping power of the projectiles. Possible reasons for this deviation are discussed. We have also extended our measurements on cascade-induced C-KLL Auger-electron production. The corresponding results for 5 MeV/u S ions on carbon were obtained with a new method and agree fairly well with previous data. Furthermore, we have performed an experimental and theoretical investigation on the nuclear-track potential in insulators. Comparison of experimental data with theoretical results for N{sup 7+}, Ne{sup 9+}, Ar{sup 16+} and Ni{sup 23+} ions allow for an estimate of the electron/hole pair recombination time at the center of the track in polypropylene. (orig.).

Gas Chromatographic-Ion Trap Mass Spectrometric Analysis of Volatile Organic Compounds by Ion-Molecule Reactions Using the Electron-Deficient Reagent Ion CCl{3/+}

Science.gov (United States)

Wang, Cheng-Zhong; Su, Yue; Wang, Hao-Yang; Guo, Yin-Long

2011-10-01

When using tetrachloromethane as the reagent gas in gas chromatography-ion trap mass spectrometry equipped with hybrid ionization source, the cation CCl{3/+} was generated in high abundance and further gas-phase experiments showed that such an electron-deficient reagent ion CCl{3/+} could undergo interesting ion-molecule reactions with various volatile organic compounds, which not only present some informative gas-phase reactions, but also facilitate qualitative analysis of diverse volatile compounds by providing unique mass spectral data that are characteristic of particular chemical structures. The ion-molecule reactions of the reagent ion CCl{3/+} with different types of compounds were studied, and results showed that such reactions could give rise to structurally diagnostic ions, such as [M + CCl3 - HCl]+ for aromatic hydrocarbons, [M - OH]+ for saturated cyclic ether, ketone, and alcoholic compounds, [M - H]+ ion for monoterpenes, M·+ for sesquiterpenes, [M - CH3CO]+ for esters, as well as the further fragment ions. The mechanisms of ion-molecule reactions of aromatic hydrocarbons, aliphatic ketones and alcoholic compounds with the reagent ion CCl{3/+} were investigated and proposed according to the information provided by MS/MS experiments and theoretical calculations. Then, this method was applied to study volatile organic compounds in Dendranthema indicum var. aromaticum and 20 compounds, including monoterpenes and their oxygen-containing derivatives, aromatic hydrocarbon and sesquiterpenes were identified using such ion-molecule reactions. This study offers a perspective and an alternative tool for the analysis and identification of various volatile compounds.

Summary of the works on blistering and related erosion phenomena in JAERI

International Nuclear Information System (INIS)

Kamada, Kohji

1980-01-01

The works in JAERI on the blistering and related erosion phenomena on material surfaces have been made theoretically and experimentally. The theoretical studies were concerned with the blistering and flaking mechanisms from the standpoint of pressure driven model. A condition for blistering was introduced as a result of the theoretical work. Assuming ductile crack propagation in an ion-irradiated subsurface layer due to the presence of small spherical bubbles, blistering and flaking are reasonably discriminated on the basis of a single mechanism of gas driven model. Experimentally, the in-situ observations of blistered surfaces were carried out with a scanning electron microscope connected to a 2 MeV Van de Graaff accelerator. Targets were single crystals of Nb, Mo, Cu and Al. The flaking in pyrolytic graphite due to He + , Ne + , Ar + and N + ion bombardments, and the hole-formation in glassy carbon by Ne + ion bombardment were also studied. The theoretical explanation gave satisfactory agreements with the experimental results. The in-situ observation of blistering and subsequent exfoliation during 100 keV He + bombardment on a polycrystalline Mo surface was carried with a 400 keV Cockcroft-Walton type ion accelerator. It was found by scanning electron microscopy that the surface erosion due to blistering was effectively reduced by the multi-groove structure. The phenomena named grain ejection were found by bombardment with pulsed intense beam of 25 keV H + , as well as H 2 + , in the temperature range of 150 to 250 degree C. (Kato, T.)

Ion temperature anisotropy limitation in high beta plasmas

International Nuclear Information System (INIS)

Scime, Earl E.; Keiter, Paul A.; Balkey, Matthew M.; Boivin, Robert F.; Kline, John L.; Blackburn, Melanie; Gary, S. Peter

2000-01-01

Measurements of parallel and perpendicular ion temperatures in the Large Experiment on Instabilities and Anisotropies (LEIA) space simulation chamber display an inverse correlation between the upper bound on the ion temperature anisotropy and the parallel ion beta (β=8πnkT/B 2 ). Fluctuation measurements indicate the presence of low frequency, transverse, electromagnetic waves with wave numbers and frequencies that are consistent with predictions for Alfven Ion Cyclotron instabilities. These observations are also consistent with in situ spacecraft measurements in the Earth's magnetosheath and with a theoretical/computational model that predicts that such an upper bound on the ion temperature anisotropy is imposed by scattering from enhanced fluctuations due to growth of the Alfven ion cyclotron instability. (c) 2000 American Institute of Physics

Effective charge of energetic ions in metals

International Nuclear Information System (INIS)

Kitagawa, M.; Brandt, W.

1983-01-01

The effective charge of energetic ion, as derived from stopping power of metals, is calculated by use of a dielectronic-response function method. The electronic distribution in the ion is described through the variational principle in a statistical approximation. The dependences of effective charge on the ion velocity, atomic number and r/sub s/-value of metal are derived at the low-velocity region. The effective charge becomes larger than the real charge of ion due to the close collisions. We obtain the quasi-universal equation of the fractional effective electron number of ion as a function of the ratio between the ionic size and the minimum distance approach. The comparsion between theoretical and experimental results of the effective charge is performed for the cases of N ion into Au, C and Al. We also discuss the equipartition rule of partially ionized ion at the high-velocity region

Comparative Risk Predictions of Second Cancers After Carbon-Ion Therapy Versus Proton Therapy

Energy Technology Data Exchange (ETDEWEB)

Eley, John G., E-mail: jeley@som.umaryland.edu [Department of Radiation Physics, The University of Texas MD Anderson Cancer Center, Houston, Texas (United States); University of Texas Graduate School of Biomedical Sciences, Houston, Texas (United States); Department of Radiation Oncology, University of Maryland School of Medicine, Baltimore, Maryland (United States); Friedrich, Thomas [GSI Helmholtzzentrum für Schwerionenforschung GmbH, Darmstadt (Germany); Homann, Kenneth L.; Howell, Rebecca M. [Department of Radiation Physics, The University of Texas MD Anderson Cancer Center, Houston, Texas (United States); University of Texas Graduate School of Biomedical Sciences, Houston, Texas (United States); Scholz, Michael; Durante, Marco [GSI Helmholtzzentrum für Schwerionenforschung GmbH, Darmstadt (Germany); Newhauser, Wayne D. [Department of Physics and Astronomy, Louisiana State University and Agricultural and Mechanical College, Baton Rouge, Louisiana (United States); Mary Bird Perkins Cancer Center, Baton Rouge, Louisiana (United States)

2016-05-01

Purpose: This work proposes a theoretical framework that enables comparative risk predictions for second cancer incidence after particle beam therapy for different ion species for individual patients, accounting for differences in relative biological effectiveness (RBE) for the competing processes of tumor initiation and cell inactivation. Our working hypothesis was that use of carbon-ion therapy instead of proton therapy would show a difference in the predicted risk of second cancer incidence in the breast for a sample of Hodgkin lymphoma (HL) patients. Methods and Materials: We generated biologic treatment plans and calculated relative predicted risks of second cancer in the breast by using two proposed methods: a full model derived from the linear quadratic model and a simpler linear-no-threshold model. Results: For our reference calculation, we found the predicted risk of breast cancer incidence for carbon-ion plans-to-proton plan ratio, , to be 0.75 ± 0.07 but not significantly smaller than 1 (P=.180). Conclusions: Our findings suggest that second cancer risks are, on average, comparable between proton therapy and carbon-ion therapy.

Dissociative recombination of interstellar ions: electronic structure calculations for HCO+

International Nuclear Information System (INIS)

Kraemer, W.P.; Hazi, A.U.

1985-01-01

The present study of the interstellar formyl ion HCO + is the first attempt to investigate dissociative recombination for a triatomic molecular ion using an entirely theoretical approach. We describe a number of fairly extensive electronic structure calculations that were performed to determine the reaction mechanism of the e-HCO + process. Similar calculations for the isoelectronic ions HOC + and HN 2 + are in progress. 60 refs

Confinement of multiply charged ions in an ECRH mirror plasma

International Nuclear Information System (INIS)

Petty, C.C.

1989-06-01

This thesis is an experimental study of multiply charged ions in the Constance B mirror experiment. By measuring the ion densities, end loss fluxes and ion temperatures, the parallel confinement times for the first five charge states of oxygen and neon plasmas are determined. The parallel ion confinement times increase with charge state and peak on axis, both indications of an ion-confining potential dip created by the hot electrons. The radial profile of ion end loss is usually hollow due to large ion radial transport (τ paralleli ∼ τ perpendiculari ), with the peak fluxes occurring at the edge of the electron cyclotron resonance zone. Several attempts are made to increase the end loss of selected ion species. Using minority ICRH, the end loss flux of resonant ions increases by 20% in cases when radial transport induced by ICRH is not too severe. A large antenna voltage can also extinguish the plasma. By adding helium to an oxygen plasma, the end loss of O 6+ increases by 80% due to decreased ion radial transport. An ion model is developed to predict the ion densities, end loss fluxes and confinement times in the plasma center using the ion particle balance equations, the quasineutrality condition and theoretical confinement time formulas. The model generally agrees with the experimental data for oxygen and neon plasmas to within experimental error. Under certain conditions spatial diffusion appears to determine the parallel ion confinement time of the highest charge states. For oxygen plasmas during ICRH, the measured parallel confinement time of the resonant ions is much shorter than their theoretical value, probably due to rf diffusion of the ions into the loss cone. 58 refs., 101 figs., 16 tabs

Dispersion relations of density fluctuations observed by heavy ion beam probe in the TEXT tokamak

International Nuclear Information System (INIS)

Ross, D.W.

1990-09-01

Wave numbers as functions of frequency for density fluctuations in the core of the TEXT tokamak are measured in Heavy Ion Beam Probe experiments by analyzing the relative phases of signals originating from nearby points in the plasma. The adjacent points are typically 2 cm apart, with their relative orientation (δr, δθ) depending on position (r,θ). for angular frequencies ω ≤ 10 6 /s the signals are quite coherent, leading to reasonably well-defined ''dispersion relations.'' These do not correspond to known modes of the drift wave type, i.e., ballooning or slab-like electron drift waves or ion temperature gradient modes. The effect of finite sample volume size does not significantly alter this conclusion. 25 refs., 6 figs., 3 tabs

On the physics of ion ring generation for the stabilization of FRX discharges. Final report

International Nuclear Information System (INIS)

Fleischmann, H.

1995-01-01

As envisioned in the respective proposals, the author's work over the final periods of this contract centered on experimental and related theoretical investigations of the physics of the generation of ion rings which might be used for a tilt stabilization of FRX rings, with experiments centering around the new MICE equipment constructed during the earlier parts of the work. In particular, the work mainly consisted of the following: (i) investigations concerning the operation of the ion beam driver constructed earlier, especially of the magnetically insulated ion diode and possible improvements of that diode; (ii) theoretical analyses on the propagation and neutralization of the ion beam during its injection into the confinement tank; and (iii) experimental investigations on the physics of ion beam injection and ring formation in the MICE device; in these latter experiments very significant discrepancies of various observed data and those predicted from single-particle orbit calculations were found. Unfortunately, the work could not be completed due to stop in funding, but a semiquantitative analysis of these discrepancies indicated insufficient space charge neutralization of the ion beam in the tank and/or charge-exchange effects in the diode are considered the most likely reasons. In contrast to claims by its authors, a similar discrepancy also was found in the published data of the earlier IREX experiment. The results of their investigations, which together with the design and construction of the equipment provided the basis for two PhD theses, will be briefly described in this report; the full details can be obtained from the two theses

Oxide ion diffusion mechanism related to Co and Fe ions in (Ba0.5Sr0.5)(Co0.8Fe0.2)O3-δ using in-situ X-ray absorption spectroscopy

Science.gov (United States)

Itoh, Takanori; Imai, Hideto

2018-03-01

The time changes of the white line and pre-edge intensities of Co and Fe K-edge in (Ba0.5Sr0.5)(Co0.8Fe0.2)O3-δ (BSCF) were observed to estimate the oxide ion diffusion related to Co and Fe ions by using in - situ X-ray absorption spectroscopy (XAS) during oxidation. The 20 μm self-standing BSCF film was prepared for in - situ XAS measurements. The time changes of absorption were fitted to the exponential decay function with two terms. The longer relaxation time (τ), related to the oxide ion diffusion during the oxidation of BSCF, is dependent on temperature. The oxide ion diffusion coefficients (D) were calculated from the τ s estimated by in - situ XAS. The values of the activation energy (Ea) for D related to Co K-edge white line, Co pre-edge, and Fe pre-edge were 1.8-2.0 eV. The value of Ea for D related to Fe K-edge white line, however, was higher than other absorption values at approximately 2.3 eV. We discussed the oxide ion diffusion mechanism related to Co and Fe ions in BSCF using in - situ XAS.

Theoretical aspects of the formation and evolution of charged particle tracks

CERN Document Server

Miterev, A M

2002-01-01

Theoretical ideas on the formation and evolution of charged particle tracks in a condensed medium are discussed. The historical development of the field is briefly reviewed. The distribution of charged particle energies on quantum states and the volume of the absorbing medium are considered. and conditions for the formation of various track structures are discussed. The structures of extended heavy-ion tracks are compared for some ion parameters and track characteristics take to be the same. Relaxation processes in the tracks of multicharged ions ate analyzed. Track effects ate considered and possible mechanisms for the formation of chemically active defects in a latent track are described

Propagation of Ion Solitary Pulses in Dense Astrophysical Electron-Positron-Ion Magnetoplasmas

Science.gov (United States)

Ata-Ur-Rahman; A. Khan, S.; Qamar, A.

2015-12-01

In this paper, we theoretically investigate the existence and propagation of low amplitude nonlinear ion waves in a dense plasma under the influence of a strong magnetic field. The plasma consists of ultra-relativistic and degenerate electrons and positrons and non-degenerate cold ions. Firstly, the appearance of two distinct linear modes and their evolution is studied by deriving a dispersion equation with the aid of Fourier analysis. Secondly, the dynamics of low amplitude ion solitary structures is investigated via a Korteweg-de Vries equation derived by employing a reductive perturbation method. The effects of various plasma parameters like positron concentration, strength of magnetic field, obliqueness of field, etc., are discussed in detail. At the end, analytical results are supplemented through numerical analysis by using typical representative parameters consistent with degenerate and ultra-relativistic magnetoplasmas of astrophysical regimes.

Intermediate energy proton and light-ion scattering

International Nuclear Information System (INIS)

Moss, J.M.

1981-01-01

A review is presented of recent (1979-81) developments in the field of intermediate-energy proton and light-ion scattering from nuclei. New theoretical and calculational techniques of particular interest to experimentalists are discussed. Emphasis is placed on topics in nuclear structure physics - giant resonances, pion-condensation precursor phenomena, and polarization transfer (spin-flip) experiments - where intermediate energy proton and light-ion scattering has made new and unique contributions

Beam dynamics in heavy ion induction LINACS

International Nuclear Information System (INIS)

Smith, L.

1981-10-01

Interest in the use of an induction linac to accelerate heavy ions for the purpose of providing the energy required to initiate an inertially confined fusion reaction has stimulated a theoretical effort to investigate various beam dynamical effects associated with high intensity heavy ion beams. This paper presents a summary of the work that has been done so far; transverse, longitudinal and coupled longitudinal transverse effects are discussed

Recommended data on proton-ion collision rate coefficients for Fe X-Fe XV ions

International Nuclear Information System (INIS)

Skobelev, I.; Murakami, I.; Kato, T.

2006-01-01

The proton-ion collisions are important for excitation of some ion levels in a high-temperature low density plasma. In the present work evaluation of data obtained for proton-induced transitions in Fe X - Fe XV ions with the help of different theoretical methods is carried out. It is suggested a simple analytical formula with 7 parameters allowing to describe dependency of proton rate coefficient on proton temperature in an enough wide temperature range. The values of free parameters have been determined by fitting of approximation formula to numerical data and are presented for recommended data together with fitting accuracies. By comparing of proton collision rates with electron ones it is shown that proton impact excitation processes may be important for Fe X, XI, XIII-XV ions. The results obtained can be used for plasma kinetics calculations and for development of spectroscopy methods of plasma diagnostics. (author)

Ion beam therapy fundamentals, technology, clinical applications

CERN Document Server

2012-01-01

The book provides a detailed, up-to-date account of the basics, the technology, and the clinical use of ion beams for radiation therapy. Theoretical background, technical components, and patient treatment schemes are delineated by the leading experts that helped to develop this field from a research niche to its current highly sophisticated and powerful clinical treatment level used to the benefit of cancer patients worldwide. Rather than being a side-by-side collection of articles, this book consists of related chapters. It is a common achievement by 76 experts from around the world. Their expertise reflects the diversity of the field with radiation therapy, medical and accelerator physics, radiobiology, computer science, engineering, and health economics. The book addresses a similarly broad audience ranging from professionals that need to know more about this novel treatment modality or consider to enter the field of ion beam therapy as a researcher. However, it is also written for the interested public an...

The most reactive third-row transition metal: Guided ion beam and theoretical studies of the activation of methane by Ir+

Science.gov (United States)

Li, Feng-Xia; Zhang, Xiao-Guang; Armentrout, P. B.

2006-09-01

The potential energy surface for activation of methane by the third-row transition metal cation, Ir+, is studied experimentally by examining the kinetic energy dependence of reactions of Ir+ with methane, IrCH2+ with H2 and D2, and collision-induced dissociation of IrCH2+ with Xe using guided ion beam tandem mass spectrometry. A flow tube ion source produces Ir+ in its electronic ground state term and primarily in the ground spin-orbit level. We find that dehydrogenation to form IrCH2+ + H2 is exothermic, efficient, and the only process observed at low energies for reaction of Ir+ with methane, whereas IrH+ dominates the product spectrum at higher energies. We also observe the IrH2+ product, which provides evidence that methane activation proceeds via a dihydride (H)2IrCH2+ intermediate. The kinetic energy dependences of the cross sections for several endothermic reactions are analyzed to give 0 K bond dissociation energies (in eV) of D0(Ir+-2H) > 5.09 +/- 0.07, D0(Ir+-C) = 6.59 +/- 0.05, D0(Ir+-CH) = 6.91 +/- 0.23, and D0(Ir+-CH3) = 3.25 +/- 0.18. D0(Ir+-CH2) = 4.92 +/- 0.03 eV is determined by measuring the forward and reverse reaction rates for Ir++CH4[right harpoon over left]IrCH2++H2 at thermal energy. Ab initio calculations at the B3LYP/HW+/6-311++G(3df,3p) level performed here show reasonable agreement with the experimental bond energies and with the few previous experimental and theoretical values available. Theory also provides the electronic structures of the product species as well as intermediates and transition states along the reactive potential energy surfaces. We also compare this third-row transition metal system with the first-row and second-row congeners, Co+ and Rh+. Differences in reactivity and mechanisms can be explained by the lanthanide contraction and relativistic effects that alter the relative size of the valence s and d orbitals.

Predicting the stability constants of metal-ion complexes from first principles

Czech Academy of Sciences Publication Activity Database

Gutten, Ondrej; Rulíšek, Lubomír

2013-01-01

Roč. 52, č. 18 (2013), s. 10347-10355 ISSN 0020-1669 Institutional support: RVO:61388963 Keywords : stability constants * solvation energy * metal-ion complexation * theoretical calculations * DFT methods Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.794, year: 2013

Computer Simulations of Resonant Coherent Excitation of Heavy Hydrogen-Like Ions Under Planar Channeling

Science.gov (United States)

Babaev, A. A.; Pivovarov, Yu L.

2010-04-01

Resonant coherent excitation (RCE) of relativistic hydrogen-like ions is investigated by computer simulations methods. The suggested theoretical model is applied to the simulations of recent experiments on RCE of 390 MeV/u Ar17+ ions under (220) planar channeling in a Si crystal performed by T.Azuma et al at HIMAC (Tokyo). Theoretical results are in a good agreement with these experimental data and clearly show the appearance of the doublet structure of RCE peaks. The simulations are also extended to greater ion energies in order to predict the new RCE features at the future accelerator facility FAIR OSI and as an example, RCE of II GeV/u U91+ ions is considered in detail.

Quarkonia at finite temperature in relativistic heavy-ion collisions

International Nuclear Information System (INIS)

Datta, Saumen

2015-01-01

The behaviour of quarkonia in relativistic heavy-ion collisions is reviewed. After a detailed discussion of the current theoretical understanding of quarkonia in a static equilibriated plasma, we discuss quarkonia yield from the fireball created in ultrarelativistic heavy-ion collision experiments. We end with a brief discussion of the experimental results and outlook. (author)

Studies on indigenous ion exchange resins: alkali metal ions-hydrogen ion exchange equilibria

International Nuclear Information System (INIS)

Shankar, S.; Kumar, Surender; Venkataramani, B.

2001-01-01

With a view to select a suitable ion exchange resin for the removal of radionuclides (such as cesium, strontium etc.) from low level radioactive effluents, alkali metal ion -H' exchanges on nine indigenous gel- and macroporous-type and nuclear grade resins have been studied at a total ionic strength of 0.1 mol dm .3 (in the case ofCs' -H' exchange it was 0.05 mol dm .3 ). The expected theoretical capacities were not attained by all the resins for the alkali metal ions. The water content (moles/equiv.) of the fully swollen resins for different alkali metal ionic forms do not follow the usual sequence of greater the tendency of the cation to hydrate the higher the water uptake, but a reverse trend. The ion exchange isotherms (plots of equivalent fractions of the ion in resin phase, N M1 to that in solution, N M ) were not satisfactory and sorption of cations, for most of the resins, was possible only when the acidity of the solution was lowered. The variations of the selectivity coefficient, K, with N M show that the resins are highly cross linked and the selectivity sequence: Cs + >K + >Na + >Li + , obtained for all the resins indicate that hydrated ions were involved in the exchange process. However, the increase in the selectivity was not accompanied by the release of water, but unusual uptake of water, during the exchange process. The characteristics of macroporous resins were not significantly different from those of the gel-type resins. The results are discussed in terms of heterogeneity in the polymer net work, improper sulphonation process resulting in the formation of functional groups at inaccessible sites with weak acidic character and the overall lack of control in the preparation of different resins. (author)

Ion Chromatographic Analyses of Sea Waters, Brines and Related Samples

Directory of Open Access Journals (Sweden)

Nataša Gros

2013-06-01

Full Text Available This review focuses on the ion chromatographic methods for the analyses of natural waters with high ionic strength. At the beginning a natural diversity in ionic composition of waters is highlighted and terminology clarified. In continuation a brief overview of other review articles of potential interest is given. A review of ion chromatographic methods is organized in four sections. The first section comprises articles focused on the determination of ionic composition of water samples as completely as possible. The sections—Selected Anions, Selected Cations and Metals—follow. The most essential experimental conditions used in different methods are summarized in tables for a rapid comparison. Techniques encountered in the reviewed articles comprise: direct determinations of ions in untreated samples with ion- or ion-exclusion chromatography, or electrostatic ion chromatography; matrix elimination with column-switching; pre-concentration with a chelation ion chromatography and purge-and-trap pre-concentration. Different detection methods were used: non-suppressed conductometric or suppressed conductometric, direct spectrometric or spectrometric after a post-column derivetization, and inductively coupled plasma in combination with optical emission or mass spectrometry.

Theoretical treatment of charge transfer processes of relevance to astrophysics

Energy Technology Data Exchange (ETDEWEB)

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

1997-12-01

Charge transfer is an important process in many astrophysical and atmospheric environments. While numerous experimental and theoretical studies exist for H and He targets, data on other targets, particularly metals and molecules, are sparse. Using a variety of theoretical methods and computational techniques the authors are developing methods to estimate the cross sections for electron capture (charge transfer) in slow collisions of low charge state ions with heavy (Mg, Ca, Fe, Co, Ni and Zn) neutrals. In this ongoing work particular attention is paid to ascertaining the importance of double electron capture.

Theoretical treatment of charge transfer processes of relevance to astrophysics

International Nuclear Information System (INIS)

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

1997-12-01

Charge transfer is an important process in many astrophysical and atmospheric environments. While numerous experimental and theoretical studies exist for H and He targets, data on other targets, particularly metals and molecules, are sparse. Using a variety of theoretical methods and computational techniques the authors are developing methods to estimate the cross sections for electron capture (charge transfer) in slow collisions of low charge state ions with heavy (Mg, Ca, Fe, Co, Ni and Zn) neutrals. In this ongoing work particular attention is paid to ascertaining the importance of double electron capture

Nuclear dynamics in heavy ion induced fusion-fission reactions

International Nuclear Information System (INIS)

Kapoor, S.S.

1992-01-01

Heavy ion induced fission and fission-like reactions evolve through a complex nuclear dynamics encountered in the medium energy nucleus-nucleus collisions. In the recent years, measurements of the fragment-neutron and fragment-charged particle angular correlations in heavy ion induced fusion-fission reactions, have provided new information on the dynamical times of nuclear deformations of the initial dinuclear complex to the fission saddle point and the scission point. From the studies of fragment angular distributions in heavy ion induced fission it has been possible to infer the relaxation times of the dinuclear complex in the K-degree of freedom and our recent measurements on the entrance channel dependence of fragment anisotropies have provided an experimental signature of the presence of fissions before K-equilibration. This paper reviews recent experimental and theoretical status of the above studies with particular regard to the questions relating to dynamical times, nuclear dissipation and the effect of nuclear dissipation on the K-distributions at the fission saddle in completely equilibrated compound nucleus. (author). 19 refs., 9 figs

Studies of heavy ion beam transport in a magnetic quadrupole channel

International Nuclear Information System (INIS)

Klabunde, J.; Reiser, M.; Schonlein, A.; Spadtke, P.; Struckmeier, J.

1983-01-01

In connection with the West German Heavy Ion Fusion Program the first stage (six periods) of a magnetic quadrupole channel (FODO type) to study the transport of intense ion beams was built at GSI. Different ion beams can be used and the variation of the brightness of these beams (hence of the tune depression sigma/sigma /SUB o/ ) is sufficiently large that regions of theoretically predicted instabilities can be covered. The initial studies are being carried out with a high-brightness beam of 190 keV Ar+ ions and currents of a few mA. Since the pulse length is > 0.5 ms and the pressure is between 10 -6 and 10 -7 torr partial space charge neutralization occurs. Clearing electrodes can be used to remove the electrons from the beam. Results of theoretical studies, measurements of charge neutralization effects and first results of transport experiments are reported

Theoretical Molecular Biophysics

CERN Document Server

Scherer, Philipp

2010-01-01

"Theoretical Molecular Biophysics" is an advanced study book for students, shortly before or after completing undergraduate studies, in physics, chemistry or biology. It provides the tools for an understanding of elementary processes in biology, such as photosynthesis on a molecular level. A basic knowledge in mechanics, electrostatics, quantum theory and statistical physics is desirable. The reader will be exposed to basic concepts in modern biophysics such as entropic forces, phase separation, potentials of mean force, proton and electron transfer, heterogeneous reactions coherent and incoherent energy transfer as well as molecular motors. Basic concepts such as phase transitions of biopolymers, electrostatics, protonation equilibria, ion transport, radiationless transitions as well as energy- and electron transfer are discussed within the frame of simple models.

Collective Thomson scattering in tokamaks having energetic ions

International Nuclear Information System (INIS)

Myer, R.C.; Woskov, P.P.; Machuzak, J.S.; Sigmar, D.J.; Cohn, D.R.; Bretz, N.L.; Efthimion, P.C.; Colestock, P.L.

1989-01-01

The authors discuss how collective Thomson scattering (CTS), using high power gyrotrons or long wavelength lasers,m shows promise as a powerful non-intrusive diagnostic of fast-ion transport as it may be capable of measuring the fast-ion velocity distribution and density profile with good spatial and temporal resolution. In addition, CTS may be used as a diagnostic for detecting localized power deposition in the background plasma. High power CTS systems are presently being planned for TFTR, JET, and CIT. Recent theoretical analysis suggests that an energetic (200-800 keV) He 3 minority can be produced in TFTR by ion cyclotron heating (ICH). Such an energetic population would be useful for simulating the energetic alpha-particles produced in a burning plasma. Since the ICH generated distribution is non-Maxwellian, the authors generalize the theoretical analysis of CTS to allow for particle distributions which can be represented by various orthogonal polynomial expansions. They evaluate the efficacy of CTS in detecting a fast He 3 component and determine the sensitivity of the diagnostic to the details of the ion distribution. In particular, the effectiveness of a planned 56 GHz gyrotron CTS diagnostic for TFTR is evaluated

A novel ion imager for secondary ion mass spectrometry

International Nuclear Information System (INIS)

Matsumoto, Kazuya; Miyata, Kenji; Nakamura, Tsutomu

1993-01-01

This paper describes a new area detector for secondary ion mass spectrometry (SIMS) ion microscope, and its performance. The operational principle is based on detecting the change in potential of a floating photodiode caused by the ion-induced secondary-electron emission and the incoming ion itself. The experiments demonstrated that 10 1 -10 5 aluminum ions per pixel can be detected with good linear response. Moreover, relative ion sensitivities from hydrogen to lead were constant within a factor of 2. The performance of this area detector provides the potential for detection of kiloelectronvolt ion images with current ion microscopy

Low-energy ion beam extraction and transport: Experiment--computer comparison

International Nuclear Information System (INIS)

Spaedtke, P.; Brown, I.; Fojas, P.

1994-01-01

Ion beam formation at low energy (∼1 keV or so) is more difficult to accomplish than at high energy because of beam blowup by space-charge forces in the uncompensated region within the extractor, an effect which is yet more pronounced for heavy ions and for high beam current density. For the same reasons, the extracted ion beam is more strongly subject to space charge blowup than higher energy beams if it is not space-charge neutralized to a high degree. A version of vacuum arc ion source with an extractor that produces low-energy metal ion beams at relatively high current (∼0.5--10 kV at up to ∼100 mA) using a multi-aperture, accel--decel extractor configuration has been created. The experimentally observed beam extraction characteristics of this source is compared with those predicted using the AXCEL-INP code, and the implied downstream beam transport with theoretical expectations. It is concluded that the low-energy extractor performance is in reasonable agreement with the code, and that good downstream space charge neutralization is obtained. Here, the code and the experimental results are described, and the features that contribute to good low-energy performance are discussed

Filamentary ion flow theory and experiments

CERN Document Server

Lattarulo, Francesco

2014-01-01

Presents all-new laboratory-tested theory for calculating more accurate ionized electric fields to aid in designing high-voltage devices and its components Understanding and accurately calculating corona originated electric fields are important issues for scientists who are involved in electromagnetic and electrostatic studies. High-voltage dc lines and equipment, in particular, can generate ion flows that can give rise to environmental inconveniences. Filamentary Ion Flow: Theory and Experiments provides interdisciplinary theoretical arguments to attain a final model for computational elect

Localization effects in heavy ion collisions

International Nuclear Information System (INIS)

Donangelo, R.J.

1984-01-01

Radial and angular localization in heavy ion reactions on deformed nuclei is discussed. A theoretical method appropriate to study these localization effects is briefly described and then applied to the determination of deformed heavy ion potentials from inclastic scattering data. It is argued that one-and two-nucleon transfer reactions on deformed nuclei can provide a probe of nuclear structure in high angular momentum states and be at least qualitatively analyzed in the light of these localization concepts. (Author) [pt

Metallic Sn-Based Anode Materials: Application in High-Performance Lithium-Ion and Sodium-Ion Batteries.

Science.gov (United States)

Ying, Hangjun; Han, Wei-Qiang

2017-11-01

With the fast-growing demand for green and safe energy sources, rechargeable ion batteries have gradually occupied the major current market of energy storage devices due to their advantages of high capacities, long cycling life, superior rate ability, and so on. Metallic Sn-based anodes are perceived as one of the most promising alternatives to the conventional graphite anode and have attracted great attention due to the high theoretical capacities of Sn in both lithium-ion batteries (LIBs) (994 mA h g -1 ) and sodium-ion batteries (847 mA h g -1 ). Though Sony has used Sn-Co-C nanocomposites as its commercial LIB anodes, to develop even better batteries using metallic Sn-based anodes there are still two main obstacles that must be overcome: poor cycling stability and low coulombic efficiency. In this review, the latest and most outstanding developments in metallic Sn-based anodes for LIBs and SIBs are summarized. And it covers the modification strategies including size control, alloying, and structure design to effectually improve the electrochemical properties. The superiorities and limitations are analyzed and discussed, aiming to provide an in-depth understanding of the theoretical works and practical developments of metallic Sn-based anode materials.

Characterization of applied fields for ion mobility in traveling wave based structures for lossless ion manipulations (SLIM)

Energy Technology Data Exchange (ETDEWEB)

Hamid, Ahmed M.; Prabhakaran Nair Syamala Amma, Aneesh; Garimella, Venkata BS; Ibrahim, Yehia M.; Smith, Richard D.

2018-03-21

Ion mobility (IM) is rapidly gaining attention for the analysis of biomolecules due to the ability to distinguish the shapes of ions. However, conventional constant electric field drift tube IM has limited resolving power, constrained by practical limitations on the path length and maximum applied voltage. The implementation of traveling waves (TW) in IM removes the latter limitation, allowing higher resolution to be achieved using extended path lengths. These can be readily obtainable in structures for lossless ion manipulations (SLIM), which are fabricated from electric fields that are generated by appropriate potentials applied to arrays of electrodes patterned on two parallel surfaces. In this work we have investigated the relationship between the various SLIM variables, such as electrode dimensions, inter-surface gap, and the TW applied voltages, that directly impact the fields experienced by ions. Ion simulation and theoretical calculations have been utilized to understand the dependence of SLIM geometry and effective electric field. The variables explored impact both ion confinement and the observed IM resolution in Structures for Lossless Ion Manipulations (SLIM) modules.

Multi-dimensional TOF-SIMS analysis for effective profiling of disease-related ions from the tissue surface.

Science.gov (United States)

Park, Ji-Won; Jeong, Hyobin; Kang, Byeongsoo; Kim, Su Jin; Park, Sang Yoon; Kang, Sokbom; Kim, Hark Kyun; Choi, Joon Sig; Hwang, Daehee; Lee, Tae Geol

2015-06-05

Time-of-flight secondary ion mass spectrometry (TOF-SIMS) emerges as a promising tool to identify the ions (small molecules) indicative of disease states from the surface of patient tissues. In TOF-SIMS analysis, an enhanced ionization of surface molecules is critical to increase the number of detected ions. Several methods have been developed to enhance ionization capability. However, how these methods improve identification of disease-related ions has not been systematically explored. Here, we present a multi-dimensional SIMS (MD-SIMS) that combines conventional TOF-SIMS and metal-assisted SIMS (MetA-SIMS). Using this approach, we analyzed cancer and adjacent normal tissues first by TOF-SIMS and subsequently by MetA-SIMS. In total, TOF- and MetA-SIMS detected 632 and 959 ions, respectively. Among them, 426 were commonly detected by both methods, while 206 and 533 were detected uniquely by TOF- and MetA-SIMS, respectively. Of the 426 commonly detected ions, 250 increased in their intensities by MetA-SIMS, whereas 176 decreased. The integrated analysis of the ions detected by the two methods resulted in an increased number of discriminatory ions leading to an enhanced separation between cancer and normal tissues. Therefore, the results show that MD-SIMS can be a useful approach to provide a comprehensive list of discriminatory ions indicative of disease states.

Dissipative phenomena in deep inelastic heavy ion collisions

International Nuclear Information System (INIS)

Gross, D.H.E.; Krappe, H.J.; Lindenberger, K.H.; Lipperheide, R.; Moehring, K.

1978-01-01

During this meeting the following theoretical concepts for deep-inelastic heavy ion reactions were discussed: the energy transfer and friction, direct or statistical mechanisms, dissipation and fluctuation. (WL) [de

Exotic phenomena in collisions of very heavy ions

International Nuclear Information System (INIS)

Soff, G.; Mueller, U.; Schramm, S.; de Reus, T.; Mehler, G.; Reinhardt, J.; Mueller, B.; Greiner, W.

1987-01-01

Over the last decade their knowledge on atomic structure of superheavy quasimolecules in the range 110 ≤ Z/sub tot/ ≤ 188 has increased considerably. Heavy ion collisions, in which superheavy quasimolecules are formed for a short period of time, offer them a unique tool to investigate the electronic structure of ultra-high Z-systems, which are not otherwise accessible to experiment. Comparison of K-vacancy formation, δ-electron and positron emission with available experimental data suggests the validity of the quasimolecular picture, which will be taken as the theoretical framework of these calculations. To exemplify current theoretical investigations three different topics will be discussed. After a presentation of the underlying theoretical framework for ionization processes the possibility to employ δ-electron emission as a clock to measure nuclear reaction times in intermediate energy collisions of very heavy ions will be sketched. Besides the phenomenon of vacuum decay into a new twofold negatively charged stable vacuum ground state, electron excitation in heavy ion collisions may be employed for the determination of delay and deceleration times on the nuclear time scale, i.e. offering an atomic clock, operating in the range 10 -21 - 10 -24 s. In deep-inelastic heavy ion collisions this provides a test for classical nuclear reaction models. In collisions at intermediate energies an independent measurement of the deceleration time is of interest for comparison, e.g., with the results of the pion bremsstrahlung model. After that the influence of one or more pockets in the ion scattering potential on the energy distribution of emitted positrons within a quantum mechanical framework is investigated. Finally phenomenological corrections to the Dirac equation and its consequences on electron binding energies in heavy and superheavy atoms is briefly considered. 42 references, 5 figures

Measurements and effects of backstreaming ions produced at bremsstrahlung converter target in Dragon-I linear induction accelerator

International Nuclear Information System (INIS)

Yu Haijun; Zhu Jun; Chen Nan; Xie Yutong; Jiang Xiaoguo; Jian Cheng

2010-01-01

Positive ions released from x-ray converter target impacted by electron beam of millimeter spot size can be trapped and accelerated in the incident beam's potential well. As the ions move upstream, the beam will be pinched first and then defocused at the target. Four Faraday cups are used to collect backstreaming ions produced at the bremsstrahlung converter target in Dragon-I linear induction accelerator (LIA). Experimental and theoretical results show that the backstreaming positive ions density and velocity are about 10 21 /m 3 and 2-3 mm/μs, respectively. The theoretical and experimental results of electron beam envelope with ions and without ions are also presented. The discussions show that the backstreaming positive ions will not affect the electron beam focusing and envelope radius in Dragon-I LIA.

High energy argon ion irradiations of polycrystalline iron

International Nuclear Information System (INIS)

Dunlop, A.; Lesueur, D.; Lorenzelli, N.; Boulanger, L.

1986-09-01

We present here the results of our recent irradiations of polycrystalline iron targets with very energetic (1.76 GeV) Ar ions. The targets consist of piles of thin iron samples, the total thickness of each target being somewhat greater than the theoretical range (450 μm) of the ions. We can thus separate the phenomena which occur at different average energies of the ions and study during the slowing-down process: the different types of induced nuclear reactions. They allow us to determine the experimental range of the ions, the defect profiles in the targets, the structure of the displacement cascades (electron microscopy) and their stability

Geometric and electronic structures of molecular ions from high energy collisions

International Nuclear Information System (INIS)

Groeneveld, K.O.

1983-01-01

This chapter examines the characteristics of heavy ion collision and of beam foil spectroscopy. It discusses the kinematic consequences of the high energies and presents results from ''Coulomb explosion'' and structure determination of molecular ions. It demonstrates that studies of molecular ions with accelerators can provide electronic and geometric structure information of molecules or molecular ions and points out that the understanding of the microscopic processes at such high energies is incomplete and needs further experimental and theoretical efforts

Experimental Evaluation of a Negative Ion Source for a Heavy Ion Fusion Negative Ion Driver

International Nuclear Information System (INIS)

Grisham, L.R.; Hahto, S.K.; Hahto, S.T.; Kwan, J.W.; Leung, K.N.

2004-01-01

Negative halogen ions have recently been proposed as a possible alternative to positive ions for heavy ion fusion drivers because electron accumulation would not be a problem in the accelerator, and if desired, the beams could be photo-detached to neutrals. To test the ability to make suitable quality beams, an experiment was conducted at Lawrence Berkeley National Laboratory using chlorine in an RF-driven ion source. Without introducing any cesium (which is required to enhance negative ion production in hydrogen ion sources) a negative chlorine current density of 45 mA/cm 2 was obtained under the same conditions that gave 57 45 mA/cm 2 of positive chlorine, suggesting the presence of nearly as many negative ions as positive ions in the plasma near the extraction plane. The negative ion spectrum was 99.5% atomic chlorine ions, with only 0.5% molecular chlorine, and essentially no impurities. Although this experiment did not incorporate the type of electron suppression technology that i s used in negative hydrogen beam extraction, the ratio of co-extracted electrons to Cl - was as low as 7 to 1, many times lower than the ratio of their mobilities, suggesting that few electrons are present in the near-extractor plasma. This, along with the near-equivalence of the positive and negative ion currents, suggests that the plasma in this region was mostly an ion-ion plasma. The negative chlorine current density was relatively insensitive to pressure, and scaled linearly with RF power. If this linear scaling continues to hold at higher RF powers, it should permit current densities of 100 45 mA/cm 2 , sufficient for present heavy ion fusion injector concepts. The effective ion temperatures of the positive and negative ions appeared to be similar and relatively low for a plasma source

Nanopore density effect of polyacrylamide gel plug on electrokinetic ion enrichment in a micro-nanofluidic chip

Science.gov (United States)

Wang, Jun-yao; Xu, Zheng; Li, Yong-kui; Liu, Chong; Liu, Jun-shan; Chen, Li; Du, Li-qun; Wang, Li-ding

2013-07-01

In this paper, the nanopore density effect on ion enrichment is quantitatively described with the ratio between electrophoresis flux and electroosmotic flow flux based on the Poisson-Nernst-Planck equations. A polyacrylamide gel plug is integrated into a microchannel to form a micro-nanofluidic chip. With the chip, electrokinetic ion enrichment is relatively stable and enrichment ratio of fluorescein isothiocyanate can increase to 600-fold within 120 s at the electric voltage of 300 V. Both theoretical research and experiments show that enrichment ratio can be improved through increasing nanopore density. The result will be beneficial to the design of micro-nanofluidic chips.

The hydrolysis of iron(III) and iron(ll) ions between 25 deg C and 375 deg C

Energy Technology Data Exchange (ETDEWEB)

Lewis, Derek

1971-11-15

Some data on the stabilities of the known iron (III) and iron (II) ions are presented, that have been obtained in a theoretical study of the iron-water system at temperatures up to the critical temperature. In this study, estimates of the stability constants of the various ions in dilute solution have been made by a method based on the equations of classical thermodynamics and empirical equations for the change with temperature of ionic heat capacity. The data indicate that hydrolysis increases so rapidly with temperature that the Fe+3 - ion is practically non-existent above about 150 deg C and, except in very acid solutions, the Fe+2 - ion is a relatively minor constituent above about 250 deg C. The most stable of the ions over a wide range of conditions are probably Fe(OH){sub 2}+ , Fe(OH)+ and HFeO{sub 2}-

Heavy ion reactions at low energies

International Nuclear Information System (INIS)

Nemes, M.C.

1985-01-01

Some general features of the heavy ion reactions at low energies are presented. Some kinds of processes are studied, such as: elastic scattering, peripherical reactions, deep inelastic collisions and fusion. Both, theoretical and experimental perspectives on this field are discussed. (L.C.) [pt

Department of Theoretical Physics - Overview

International Nuclear Information System (INIS)

Kwiecinski, J.

1999-01-01

Full text: Research activity of the Department of Theoretical Physics concerns theoretical high-energy and elementary particle physics, intermediate energy particle physics, theoretical nuclear physics, theory of nuclear matter, theory of quark-gluon plasma and of relativistic heavy-ion collisions, theoretical astrophysics and general physics. There is some emphasis on the phenomenological applications of the theoretical research yet the more formal problems are also considered. The detailed summary of the research projects and of the results obtained in various fields is given in the abstracts. Our Department actively collaborates with other Departments of the Institute as well as with several scientific institutions both in Poland and abroad. In particular members of our Department participate in the EC network which allows mobility of researchers. Several members of our Department have also participated in the research projects funded by the Polish Committee for Scientific Research (KBN). The complete list of grants is listed separately. Besides pure research, members of our Department are also involved in graduate and undergraduate teaching activity both at our Institute as well as at other academic institutions in Cracow. At present five PhD students are working for their degree under supervision of the senior members from the Department. In the last year we have completed our active participation in the educational TEMPUS programme funded by the European Communities. This programme has in particular allowed exchange of students between our Department and the Department of Physics of the University of Durham in the United Kingdom. In 1998 we joined the SOCRATES - ERASMUS project which will make it possible to continue this exchange. (author)

Atomic x-ray production by relativistic heavy ions

International Nuclear Information System (INIS)

Ioannou, J.G.

1977-12-01

The interaction of heavy ion projectiles with the electrons of target atoms gives rise to the production, in the target, of K-, L- or higher shell vacancies which are in turn followed by the emission of characteristic x-rays. The calculation of the theoretical value of the K- and L-shells vacancy production cross section was carried out for heavy ion projectiles of any energy. The transverse component of the cross section is calculated for the first time in detail and extensive tables of its numerical value as a function of its parameters are also given. Experimental work for 4.88 GeV protons and 3 GeV carbon ions is described. The K vacancy cross section has been measured for a variety of targets from Ti to U. The agreement between the theoretical predictions and experimental results for the 4.88 GeV protons is rather satisfactory. For the 3 GeV carbon ions, however, it is observed that the deviation of the theoretical and experimental values of the K vacancy production becomes larger with the heavier target element. Consequently, the simple scaling law of Z 1 2 for the cross section of the heavy ion with atomic number Z 1 to the proton cross section is not true, for the K-shell at least. A dependence on the atomic number Z 2 of the target of the form (Z 1 - αZ 2 ) 2 , instead of Z 1 2 , is found to give extremely good agreement between theory and experiment. Although the exact physical meaning of such dependence is not yet clearly understood, it is believed to be indicative of some sort of screening effect of the incoming fast projectile by the fast moving in Bohr orbits K-shell electrons of the target. The enhancement of the K-shell ionization cross section by relativistic heavy ions on heavy targets is also discussed in terms of its practical applications in various branches of science and technology

Theoretical and experimental investigations of frustrated pyrochlore magnets

International Nuclear Information System (INIS)

Champion, John Dickon Mathison

2001-01-01

This thesis describes the investigation of frustrated magnetic systems based on the pyrochlore lattice of corner-sharing tetrahedra. Monte Carlo simulations and analytical calculations have been performed on a pyrochlore ferromagnet with local (111) easy-axis anisotropy related to the problem of 'spin ice'. The anisotropy-temperature-magnetic field phase diagram was determined. It contained a tricritical point as well as features related to some real ferroelectrics. A pyrochlore antiferromagnet with local (111) easy-plane anisotropy was studied by Monte Carlo simulation. A general expression for its degenerate ground states was discovered and normal- modes out of the ground states were calculated. Both systems are frustrated yet have a long-range ordered state at low temperature. The degeneracy lifting observed is discussed as well as the reasons for its presence. The rare-earth titanate series Ln 2 Ti 2 O 7 (Ln = rare earth), crystallizes in the Fd3-barm space group, with the magnetic ions situated on the 16c sites which constitute the pyrochlore lattice. Crystal-field effects are known to play a significant role in the frustration observed in these compounds. Powder neutron diffraction was performed on gadolinium and erbium titanate. Both systems are frustrated antiferromagnets yet show long-range magnetic order at ∼ 1 K and ∼ 1.2 K respectively. The magnetic structures of both these compounds have been determined by powder neutron diffraction techniques and related to other theoretical results as well as the theoretical results of the author. Further neutron scattering experiments on the 'spin ice' materials Ho 2 Ti 2 O 7 and Dy 2 Ti 2 O 7 are also described. (author)

Relation between the conditions of helium ion implantation and helium void equilibrium parameters

International Nuclear Information System (INIS)

Neklyudov, I.M.; Rybalko, V.F.; Ruzhitskij, V.V.; Tolstolutskaya, G.D.

1981-01-01

The conditions of helium thermodynamic equilibrium in a system of voids produced by helium ion bombardment of a metal sample are studied. As an initial equation for description of the equilibrium the Clapeyron equation was used. The equation is obtained relating basic parameters of helium voids (average diameter and density) to irradiation parameters (dose, ion energy (straggling)) and properties of the metal (surface tension coefficient, yield strength). Comparison of the calculations with experimental data on helium in nickel found in literature shows that the equation yields satisfactory resutls for the dose range 1.10 16 -1x10 17 cm -2 and temperatures T [ru

Oxidative damage to collagen and related substrates by metal ion/hydrogen peroxide systems

DEFF Research Database (Denmark)

Hawkins, C L; Davies, Michael Jonathan

1997-01-01

. In this study electron paramagnetic resonance spectroscopy with spin trapping has been used to identify radicals formed on collagen and related materials by metal ion-H2O2 mixtures. Attack of the hydroxyl radical, from a Fe(II)-H2O2 redox couple, on collagen peptides gave signals from both side chain (.CHR...... are similar to those from the alpha-carbon site of peptides and the side-chain of lysine. Enzymatic digestion of the large, protein-derived, species releases similar low-molecular-weight adducts. The metal ion employed has a dramatic effect on the species observed. With Cu(I)-H2O2 or Cu(II)-H2O2 instead of Fe(II)-H......2O2, evidence has been obtained for: i) altered sites of attack and fragmentation, ii) C-terminal decarboxylation, and iii) hydrogen abstraction at N-terminal alpha-carbon sites. This altered behaviour is believed to be due to the binding of copper ions to some substrates and hence site...

Photoionisation of O6+ below the n=3 threshold of the reduced ion

International Nuclear Information System (INIS)

Faye, N.A.B.; Wague, A.

1994-01-01

Near the n=3 threshold of residual ion O 7+ , the resonant photoionization of the multicharged ion O 6+ is considered by calculating the excitation energies, associated wave-functions, partial and total widths of the 1 P (-) and 3 P (-) autoionizing states. These calculations are made in the diagonalization approximation in the LS coupling scheme. The results are compared with the available theoretical results obtained by authors using other theoretical approaches. (author). 16 refs, 5 tabs

Ion-Ion Plasmas Produced by Electron Beams

Science.gov (United States)

Fernsler, R. F.; Leonhardt, D.; Walton, S. G.; Meger, R. A.

2001-10-01

The ability of plasmas to etch deep, small-scale features in materials is limited by localized charging of the features. The features charge because of the difference in electron and ion anisotropy, and thus one solution now being explored is to use ion-ion plasmas in place of electron-ion plasmas. Ion-ion plasmas are effectively electron-free and consist mainly of positive and negative ions. Since the two ion species behave similarly, localized charging is largely eliminated. However, the only way to produce ion-ion plasmas at low gas pressure is to convert electrons into negative ions through two-body attachment to neutrals. While the electron attachment rate is large at low electron temperatures (Te < 1 eV) in many of the halogen gases used for processing, these temperatures occur in most reactors only during the afterglow when the heating fields are turned off and the plasma is decaying. By contrast, Te is low nearly all the time in plasmas produced by electron beams, and therefore electron beams can potentially produce ion-ion plasmas continuously. The theory of ion-ion plasmas formed by pulsed electron beams is examined in this talk and compared with experimental results presented elsewhere [1]. Some general limitations of ion-ion plasmas, including relatively low flux levels, are discussed as well. [1] See the presentation by D. Leonhardt et al. at this conference.

Adsorption of lithium ion to amorphous hydrous aluminium oxide

International Nuclear Information System (INIS)

Wada, Hideo; Kitamura, Takao; Fujii, Ayako; Katoh, Shunsaku

1982-01-01

Adsorption process of lithium ion to amorphous hydrous aluminium oxide (a-HAO) was investigated by pH titration method with lithium chloride-lithium hydroxide mixed solution and X-ray diffraction analysis of a-HAO after pH titration. In the pH titration, the addition of hydroxide ion in amount from 0 to 4.0 mmol.g -1 gave no change to the pH of the solution and caused adsorption of lithium ion equivalent in amount to added hydroxide ion. X-ray diffraction analysis showed the formation of lithium hydrogenaluminate LiH (AlO 2 ) 2 .5H 2 O (LHA) in the a-HAO after pH titration. These results showed that adsorption of lithium ion by a-HAO was related to a reaction which consumed hydroxide ion and formed LHA. In order to elucidate detail process of the reaction, changes of pH, aluminium concentration and lithium concentration of the solution, respectively with time, were determined. The pH of the solution decreased in two stages. At the first stage of the pH decrease, the aluminium concentration increased whereas the lithium concentration did not change. At the second stage, the lithium concentration decreased together with the decrease of the aluminium concentration. It was inferred that adsorption of lithium ion proceeded through dissolution of a-HAO and precipitation of LHA. Theoretical adsorption capacity calculated from the above formula for LHA and aluminium content in a-HAO was 4.7 mmol.g -1 and agreed fairly well with observed value 4.0 mmol.g -1 . (author)

Magnetic anisotropy of dysprosium(III) in a low-symmetry environment: a theoretical and experimental investigation.

Science.gov (United States)

Bernot, Kevin; Luzon, Javier; Bogani, Lapo; Etienne, Mael; Sangregorio, Claudio; Shanmugam, Muralidharan; Caneschi, Andrea; Sessoli, Roberta; Gatteschi, Dante

2009-04-22

A mixed theoretical and experimental approach was used to determine the local magnetic anisotropy of the dysprosium(III) ion in a low-symmetry environment. The susceptibility tensor of the monomeric species having the formula [Dy(hfac)(3)(NIT-C(6)H(4)-OEt)(2)], which contains nitronyl nitroxide (NIT-R) radicals, was determined at various temperatures through angle-resolved magnetometry. These results are in agreement with ab initio calculations performed using the complete active space self-consistent field (CASSCF) method, validating the predictive power of this theoretical approach for complex systems containing rare-earth ions, even in low-symmetry environments. Susceptibility measurements performed with the applied field along the easy axis eventually permitted a detailed analysis of the temperature and field dependence of the magnetization, providing evidence that the Dy ion transmits an antiferromagnetic interaction between radicals but that the Dy-radical interaction is ferromagnetic.

High-voltage scanning ion microscope: Beam optics and design

Energy Technology Data Exchange (ETDEWEB)

Magilin, D., E-mail: dmitrymagilin@gmail.com; Ponomarev, A.; Rebrov, V.; Ponomarov, A.

2015-05-01

This article is devoted to the conceptual design of a compact high-voltage scanning ion microscope (HVSIM). In an HVSIM design, the ion optical system is based on a high-brightness ion source. Specifically, the ion optical system is divided into two components: an ion injector and a probe-forming system (PFS) that consists of an accelerating tube and a multiplet of quadrupole lenses. The crossover is formed and controlled by the injector, which acts as an object collimator, and is focused on the image plane by the PFS. The ion microprobe has a size of 0.1 μm and an energy of 2 MeV. When the influence of the chromatic and third-order aberrations is theoretically taken into account, the HVSIM forms an ion microprobe.

Nickel hexacyanoferrate, a versatile intercalation host for divalent ions from nonaqueous electrolytes

Science.gov (United States)

Lipson, Albert L.; Han, Sang-Don; Kim, Soojeong; Pan, Baofei; Sa, Niya; Liao, Chen; Fister, Timothy T.; Burrell, Anthony K.; Vaughey, John T.; Ingram, Brian J.

2016-09-01

New energy storage chemistries based on Mg ions or Ca ions can theoretically improve both the energy density and reduce the costs of batteries. To date there has been limited progress in implementing these systems due to the challenge of finding a high voltage high capacity cathode that is compatible with an electrolyte that can plate and strip the elemental metal. In order to accelerate the discovery of such a system, model systems are needed that alleviate some of the issues of incompatibility. This report demonstrates the ability of nickel hexacyanoferrate to electrochemically intercalate Mg, Ca and Zn ions from a nonaqueous electrolyte. This material has a relatively high insertion potential and low overpotential in the electrolytes used in this study. Furthermore, since it is not an oxide based cathode it should be able to resist attack by corrosive electrolytes such as the chloride containing electrolytes that are often used to plate and strip magnesium. This makes it an excellent cathode for use in developing and understanding the complex electrochemistry of multivalent ion batteries.

Theoretical general relativity: 1979

International Nuclear Information System (INIS)

Bergmann, O.

1979-01-01

The metric and field equations of Einstein's general relativity theory are written down. Solutions to the equations are discussed. Connection is made between relativity theory and elementary particle theory. Possibilities for a unified field theory are considered

The 1989 progress report: theoretical Physics

International Nuclear Information System (INIS)

Laval, G.

1989-01-01

The 1989 progress report of the laboratory of theoretical Physics of the Polytechnic School (France) is presented. The investigations reported concern the following subjects: the transport of a passive vector by a flow, the conformal field theories, the dynamics of wetting, the electromagnetic properties of composite materials, the neutrino oscillations, the heavy ion collision phenomenology, the laser-plasma interaction, the construction of a code for simulating the evolution of magnetohydrodynamic instabilities in plasmas. The published papers, the conferences and the Laboratory staff are listed [fr

[Anomalous ion transport and feedback control

International Nuclear Information System (INIS)

1993-01-01

The slab branch of the ITG mode was produced by a d.c. ion acceleration heating scheme and definitively identified in CLM under the previous DOE grant. A transit-time rf heating scheme was used to produce a more Maxwellian ion population to produce and identify a more predictable slab ITG mode. These experiments are partly based on some theoretical work on the substantial effects of anisotropy in η i on the slab mode. The progress under the present DOE grant are described below

Energy spectra of gold and silver ions jointly expanding in multielement laser plasma

International Nuclear Information System (INIS)

Bedilov, M.R.; Kuramatov, D.; Tsoj, T.G.; Kholbaev, A.; Khaitbaev, K.

1986-01-01

The results of the investigations on energy distribution of Au and Ag ions jointly expanding in multielement paser plasma are presented. It is denonstrated, that on the stages of formation and expanding of multielement plasma multucharged ions considerable contribution is made by collision processes between electrons and ions and between ions of light and heavy elements. The results are discussed on the basis of existing theoretical models

Salinity tolerance in plants. Quantitative approach to ion transport starting from halophytes and stepping to genetic and protein engineering for manipulating ion fluxes.

Science.gov (United States)

Volkov, Vadim

2015-01-01

questioned. An alternative approach from synthetic biology is to create new regulation networks using novel transport proteins with desired properties for transforming agricultural crops. The approach had not been widely used earlier; it leads also to theoretical and pure scientific aspects of protein chemistry, structure-function relations of membrane proteins, systems biology and physiology of stress and ion homeostasis. Summarizing, several potential ways are aimed at required increase in salinity tolerance of plants of interest.

Salinity tolerance in plants. Quantitative approach to ion transport starting from halophytes and stepping to genetic and protein engineering for manipulating ion fluxes

Directory of Open Access Journals (Sweden)

Vadim eVolkov

2015-10-01

discussed and questioned. An alternative approach from synthetic biology is to create new regulation networks using novel transport proteins with desired properties for transforming agricultural crops. The approach had not been widely used earlier; it leads also to theoretical and pure scientific aspects of protein chemistry, structure-function relations of membrane proteins, systems biology and physiology of stress and ion homeostasis. Summarising, several potential ways are aimed at required increase

Electron-impact ionization of heavy atomic ions

International Nuclear Information System (INIS)

Pindzola, M.S.; Griffin, D.C.; Bottcher, C.

1987-01-01

General theoretical methods for the calculation of direct and indirect processes in the electron-impact ionization of heavy atomic ions are reviewed. Cross section results for Xe 8+ and U 89+ are presented. 12 refs., 4 figs

The description of charge transfer in fast negative ions scattering on water covered Si(100) surfaces

Energy Technology Data Exchange (ETDEWEB)

Chen, Lin; Qiu, Shunli; Liu, Pinyang; Xiong, Feifei; Lu, Jianjie; Liu, Yuefeng; Li, Guopeng; Liu, Yiran; Ren, Fei; Xiao, Yunqing; Gao, Lei; Zhao, Qiushuang; Ding, Bin; Li, Yuan [School of Nuclear Science and Technology, Lanzhou University, 730000 (China); Key Laboratory of Special Function Materials and Structure Design, Ministry of Education, Lanzhou University, 730000 (China); Guo, Yanling, E-mail: guoyanling@lzu.edu.cn [School of Nuclear Science and Technology, Lanzhou University, 730000 (China); Key Laboratory of Special Function Materials and Structure Design, Ministry of Education, Lanzhou University, 730000 (China); Chen, Ximeng, E-mail: chenxm@lzu.edu.cn [School of Nuclear Science and Technology, Lanzhou University, 730000 (China); Key Laboratory of Special Function Materials and Structure Design, Ministry of Education, Lanzhou University, 730000 (China)

2016-11-30

Highlights: • We first observe that negative-ion fractions present no variation with the doping concentration, which is very different from the results of low energy Li neutralization from doped Si samples. • Our work shows that the affinity levels and collision time significantly counteract the band gap effect on negative ion formation. The work will improve our understanding on electron transfer on semiconductor surfaces associated with doping. • In addition, we build a complete theoretical framework to quantitatively calculate the negative-ion fractions. • Our work is related to charge transfer on semiconductor surfaces, which will be of interest to a broad audience due to the wide necessity of the knowledge of charge exchange on semiconductor surfaces in different fields. - Abstract: Doping has significantly affected the characteristics and performance of semiconductor electronic devices. In this work, we study the charge transfer processes for 8.5–22.5 keV C{sup −} and F{sup −} ions scattering on H{sub 2}O-terminated p-type Si(100) surfaces with two different doping concentrations. We find that doping has no influence on negative-ion formation for fast collisions in this relatively high energy range. Moreover, we build a model to calculate negative ion fractions including the contribution from positive ions. The calculations support the nonadiabatic feature of charge transfer.

Theoretical understanding on the v(1)-SO4(2-) band perturbed by the formation of magnesium sulfate ion pairs.

Science.gov (United States)

Zhang, Hao; Zhang, Yun-Hong; Wang, Feng

2009-02-01

The factors determining the spectroscopic characteristics of the v(1)-SO4(2-) band of the MgSO4 ion pairs are discussed via ab initio calculation, including coupling effect, hydrogen bonding effect, and direct contact effect of Mg2+ with SO4(2-). With the calculation of the heavy water hydrated contact ion pairs (CIP), the overlap between the librations of water and the v(1)-SO4(2-) band can be separated, and thus the coupling effect is abstracted, and this coupling effect leads to a blue shift for the v(1)-SO4(2-) band of 5.6 cm(-1) in the monodentate CIP and 3.6 cm(-1) in the bidentate CIP. The hydrogen bonding between each water molecule without relation to Mg2+ and the sulfate ion makes the v(1)-SO4(2-) band blue shift of 3.7 cm(-1). When the outer-sphere water around Mg2+ are hydrogen bonded between SO4(2-) and Mg2+, it will make the largest disturbance to the v(1)-SO4(2-) band. Moreover, the inner-sphere water can affect the v(1)-SO4(2-) band conjunct with the direct contact of Mg2+ with SO4(2-), showing a blue shift of 14.4 cm(-1) in the solvent-shared ion pair, 22.6 cm(-1) in the monodentate CIP, 4.3 cm(-1) in the bidentate CIP, and 21.4 cm(-1) in the tridentate CIP. At last, the Raman spectral evolution in the efflorescence production process is tried to be rationalized. The shoulder at 995 cm(-1) is attributed to the monodentate CIP with 2-3 outer-sphere water molecules, whereas the new peak at 1021 cm(-1) at high concentration is assigned to the formation of aqueous triple ion.

Ion transport Modeling in a Bipolar Membrane

International Nuclear Information System (INIS)

Kim, Jung Soo; Park, Kwang Heon; Kim, Kwang Wook

2010-01-01

The COL(Carbonate-based Oxidative Leaching) process is an environmentally-friendly technique for collecting only uranium from spent fuel with oxidation leaching/ precipitation of carbonate solution. The bipolar membrane used for the electrolyte circulation of the salt used in the COL process is a special form of ion exchange membrane which combines CEM(cation exchange membrane) and AEM(anion exchange membrane). After arranging positive ion exchange layer toward negative terminal and positive ion exchange layer toward positive terminal, then supply electricity, water molecules are decomposed into protons and hydroxyl ions by a strong electric field in the transition region inside bipolar membrane.1) In this study, a theoretical approach to increase the efficiency of Na + and NO3 - ion collecting device using bipolar membrane was taken and simulating using the COMSOL program was tried. The details of results are also discussed

Heavy ion fragmentation in high energy

International Nuclear Information System (INIS)

Nemes, M.C.

1985-01-01

A review is made on the theoretical aspects of heavy ion collisions at high energies. A comparison with several experimental data obtained in a large variety of experiments is present. An emphasis is given on the basis of Glauber's theory of scattering. (L.C.) [pt

Specific Ion Effects in Cholesterol Monolayers

Directory of Open Access Journals (Sweden)

Teresa Del Castillo-Santaella

2016-05-01

Full Text Available The interaction of ions with interfaces and, in particular, the high specificity of these interactions to the particular ions considered, are central questions in the field of surface forces. Here we study the effect of different salts (NaI, NaCl, CaCl2 and MgCl2 on monolayers made of cholesterol molecules, both experimentally (surface area vs. lateral pressure isotherms measured by a Langmuir Film Balance and theoretically (molecular dynamics (MD all-atomic simulations. We found that surface isotherms depend, both quantitatively and qualitatively, on the nature of the ions by altering the shape and features of the isotherm. In line with the experiments, MD simulations show clear evidences of specific ionic effects and also provide molecular level details on ion specific interactions with cholesterol. More importantly, MD simulations show that the interaction of a particular ion with the surface depends strongly on its counterion, a feature ignored so far in most theories of specific ionic effects in surface forces.

Theoretical investigation of the β decay of a negative tritium ion

International Nuclear Information System (INIS)

Goryaev, F.F.; Sukhanov, L.P.

1997-01-01

Calculation of probability of the main channel β decay of tritium negative ion as one of the possible process influencing the β spectrum form is carried out. The corresponding energy characteristics are estimated. The necessity of accounting for the investigated process by interpretation of the β spectrum experimental curves near the end point in connection with the problem of determining the neutrino rest mass, is pointed out

Mechanisms for production of highly charged ions

International Nuclear Information System (INIS)

McGuire, J.H.

1987-01-01

Various experimental data at high collision velocity are interpreted in terms of direct (D) and rearrangement (R) mechanisms for production of multiply charged ions. We consider double ionization in helium by protons, electrons, heavy ions, antiprotons, positrons and photons. Qualitative differences are discussed in the context of the R and D mechanisms. Multiple ionization in many electron atoms is considered as is simultaneous capture and ionization and fragmentation of methane molecules. Some other theoretical methods are briefly discussed. (orig.)

Application of radiofrequency superconductivity to accelerators for high-current ion beams

International Nuclear Information System (INIS)

Delayen, J.R.; Bohn, C.L.; Kennedy, W.L.; Roche, C.T.; Sagalovsky, L.

1992-01-01

A development program is underway to apply rf superconductivity to the design of continuous-wave (cw) linear accelerators for high-current, high-brightness ion beam. During the last few years, considerable progress has been made both experimentally and theoretically toward this application. Recent tests of niobium resonators for ion acceleration have yielded average accelerating gradients as high as 18 MV/m. In an experiment with a radio-frequency quadrupole geometry, niobium was found to sustain cw peak surface electric fields as high as 128 MV/m over large (10 cm) surface areas. Theoretical studies of beam halo, cumulative beam breakup and alternating-phase focusing have also yielded important results. This paper su-summarizes the recent progress and identifies current and future work in the areas of superconducting accelerator technology for high-current ion beams

Recent radioactive ion beam program at RIKEN and related topics

Indian Academy of Sciences (India)

Keywords. RIKEN; radioactive ion beams; magic numbers. PACS No. 21.10.-k. 1. Introduction. In RIKEN, there are several heavy ion accelerators. Main accelerator is the RIKEN ring cyclotron (RRC) with K = 540, that has been operated from 1986. The RRC has two injectors; one is heavy ion linear accelerator that has been ...

Theoretical nuclear structure. Progress report for 1997

International Nuclear Information System (INIS)

Nazarewicz, W.; Strayer, M.R.

1997-01-01

This research effort is directed toward theoretical support and guidance for the fields of radioactive ion beam physics, gamma-ray spectroscopy, and the interface between nuclear structure and nuclear astrophysics. The authors report substantial progress in all these areas. One measure of progress is publications and invited material. The research described here has led to more than 25 papers that are published, accepted, or submitted to refereed journals, and to 25 invited presentations at conferences and workshops

Theoretical Calculations of Atomic Data for Spectroscopy

Science.gov (United States)

Bautista, Manuel A.

2000-01-01

Several different approximations and techniques have been developed for the calculation of atomic structure, ionization, and excitation of atoms and ions. These techniques have been used to compute large amounts of spectroscopic data of various levels of accuracy. This paper presents a review of these theoretical methods to help non-experts in atomic physics to better understand the qualities and limitations of various data sources and assess how reliable are spectral models based on those data.

Very broad beam metal ion source for large area ion implantation application

International Nuclear Information System (INIS)

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

1993-01-01

The authors have made and operated a very broad beam version of vacuum arc ion source and used it to carry out high energy metal ion implantation of a particularly large substrate. A multiple-cathode vacuum arc plasma source was coupled to a 50 cm diameter beam extractor (multiple aperture, accel-decel configuration) operated at a net extraction voltage of up to 50 kV. The metal ion species chosen were Ni and Ta. The mean ion charge state for Ni and Ta vacuum arc plasmas is 1.8 and 2.9, respectively, and so the mean ion energies were up to about 90 and 145 keV, respectively. The ion source was operated in a repetitively pulsed mode with pulse length 250 μs and repetition rate several pulses per second. The extracted beam had a gaussian profile with FWHM about 35 cm, giving a nominal beam area of about 1,000 cm 2 . The current of Ni or Ta metal ions in the beam was up to several amperes. The targets for the ion implantation were a number of 24-inch long, highly polished Cu rails from an electromagnetic rail gun. The rails were located about 80 cm away from the ion source extractor grids, and were moved across a diameter of the vessel in such a way as to maximize the uniformity of the implant along the rail. The saturation retained dose for Ta was limited to about 4 x 10 16 cm -2 because of the rather severe sputtering, in accordance with the theoretical expectations for these implantation conditions. Here they describe the ion source, the implantation procedure, and the kinds of implants that can be produced in this way

Ion channeling

International Nuclear Information System (INIS)

Erramli, H.; Blondiaux, G.

1994-01-01

Channeling phenomenon was predicted, many years ago, by stark. The first channeling experiments were performed in 1963 by Davies and his coworkers. Parallely Robinson and Oen have investigated this process by simulating trajectories of ions in monocrystals. This technique has been combined with many methods like Rutherford Backscattering Spectrometry (R.B.S.), Particles Induced X-rays Emission (P.I.X.E) and online Nuclear Reaction (N.R.A.) to localize trace elements in the crystal or to determine crystalline quality. To use channeling for material characterization we need data about the stopping power of the incident particle in the channeled direction. The ratios of channeled to random stopping powers of silicon for irradiation in the direction have been investigated and compared to the available theoretical results. We describe few applications of ion channeling in the field of materials characterization. Special attention is given to ion channeling combined with Charged Particle Activation Analysis (C.P.A.A.) for studying the behaviour of oxygen atoms in Czochralski silicon lattices under the influence of internal gettering and in different gaseous atmospheres. Association between ion channeling and C.P.A.A was also utilised for studying the influence of the growing conditions on concentration and position of carbon atoms at trace levels in the MOVPE Ga sub (1-x) Al sub x lattice. 6 figs., 1 tab., 32 refs. (author)

The wondrous world of transport and acceleration of intense ion beams

International Nuclear Information System (INIS)

Siebenlist, F.

1987-01-01

A theoretical and experimental study of the transport, bunching and acceleration of intense ion beams in periodic focusing channels is described. The aim is to show the feasibility of accelerating high current ion beams with a Multiple Electrostatic Quadrupole Array Linear ACcelerator (MEQALAC). 83 refs.; 51 figs.; 3 tabs

Theoretical investigation of aspects of radioactive contamination

International Nuclear Information System (INIS)

Smith, A.H.; Chandratillake, M.R.; Taylor, J.B.

1998-01-01

The BNFL programme of work has investigated theoretical aspects of the mechanisms responsible for the deposition and adherence of contamination to metallic surfaces and the energetics of physical decontamination processes. The work has been conducted in two phases: The theoretical and laboratory study of deposition of species from aqueous media on to stainless steel; Theoretical assessment of the forces causing the attraction of PuO 2 and UO 2 particles to stainless steel in an air environment and comparison of these forces with the energies delivered by physical jetting processes. The first phase produced a model which was found to give good agreement with plant operational experience of the deposition of simple aqueous ions such as Cobalt. Due to the complexities, however, of surface / colloid and surface / particle interactions the model was found not to be successful at predicting deposition for more complex compounds, such as Ruthenium Nitrosyls. At this stage the model had fulfilled its original requirement of underpinning design work on pipework shielding systems and it was decided not to pursue the library of chemical speciation data that would be necessary to model the behaviour of a full spectrum of possible contaminants. The second phase predicts by theoretical analysis that the relation of the energy delivered by jetting techniques to the physical forces causing the adherence of PuO 2 and UO 2 particles will vary considerably with particle size. This is particularly notably for larger PuO 2 particles which are firmly held as a result of high levels of electrostatic charge due to their intense alpha activity. Small particles tend to be difficult to remove due to the low profile that they present to the jetting medium. Large and small PuO 2 particles and small UO 2 particle are thus predicted to be difficult to remove and will present an energy threshold which may not be crossed by all decontamination techniques. (author)

Comprehensive Peptide Ion Structure Studies Using Ion Mobility Techniques: Part 3. Relating Solution-Phase to Gas-Phase Structures.

Science.gov (United States)

Kondalaji, Samaneh Ghassabi; Khakinejad, Mahdiar; Valentine, Stephen J

2018-06-01

Molecular dynamics (MD) simulations have been utilized to study peptide ion conformer establishment during the electrospray process. An explicit water model is used for nanodroplets containing a model peptide and hydronium ions. Simulations are conducted at 300 K for two different peptide ion charge configurations and for droplets containing varying numbers of hydronium ions. For all conditions, modeling has been performed until production of the gas-phase ions and the resultant conformers have been compared to proposed gas-phase structures. The latter species were obtained from previous studies in which in silico candidate structures were filtered according to ion mobility and hydrogen-deuterium exchange (HDX) reactivity matches. Results from the present study present three key findings namely (1) the evidence from ion production modeling supports previous structure refinement studies based on mobility and HDX reactivity matching, (2) the modeling of the electrospray process is significantly improved by utilizing initial droplets existing below but close to the calculated Rayleigh limit, and (3) peptide ions in the nanodroplets sample significantly different conformers than those in the bulk solution due to altered physicochemical properties of the solvent. Graphical Abstract ᅟ.

Heavy ion inertial fusion

International Nuclear Information System (INIS)

Keefe, D.; Sessler, A.M.

1980-01-01

Inertial fusion has not yet been as well explored as magnetic fusion but can offer certain advantages as an alternative source of electric energy for the future. Present experiments use high-power beams from lasers and light-ion diodes to compress the deuterium-tritium (D-T) pellets but these will probably be unsuitable for a power plant. A more promising method is to use intense heavy-ion beams from accelerator systems similar to those used for nuclear and high-energy physics; the present paper addresses itself to this alternative. As will be demonstrated the very high beam power needed poses new design questions, from the ion-source through the accelerating system, the beam transport system, to the final focus. These problems will require extensive study, both theoretically and experimentally, over the next several years before an optimum design for an inertial fusion driver can be arrived at. (Auth.)

Heavy ion inertial fusion

International Nuclear Information System (INIS)

Keefe, D.; Sessler, A.M.

1980-07-01

Inertial fusion has not yet been as well explored as magnetic fusion but can offer certain advantages as an alternative source of electric energy for the future. Present experiments use high-power beams from lasers and light-ion diodes to compress the deuterium-tritium (D-T) pellets but these will probably be unsuitable for a power plant. A more promising method is to use intense heavy-ion beams from accelerator systems similar to those used for nuclear and high-energy physics; the present paper addresses itself to this alternative. As will be demonstrated the very high beam power needed poses new design questions, from the ion source through the accelerating system, the beam transport system, to the final focus. These problems will require extensive study, both theoretically and experimentally, over the next several years before an optimum design for an inertial fusion driver can be arrived at

Resistive effect on ion fishbone mode in tokamak plasma

International Nuclear Information System (INIS)

Shi Bingren; Vandam, J.W.; Carrera, R.; Zhang, Y.Z.

1992-07-01

A consistent theoretical description of the resistive internal mode is presented to discuss the effect of resistivity on fishbone mode for different parameter regime of bulk and hot components. It is found that the ideal fishbone mode theory ceases to be correct for the low frequency fishbone branch, the so-called ion fishbone mode, which has a real frequency very close to ω *i (the diamagnetic frequency) in marginal state. The stability domain analysis in β h , γ mhd ) space based on the resistive dispersion relation shows that the transition between the stable and unstable region is more complicated than predicted by the ideal limit theory. Another salient feature of the resistive fishbone mode is the existence of a weakly unstable regime. For high frequency fishbone with ω ∼ ω dm (the toroidal precession frequency of the hot ions) resistivity has negligible effect and the ideal theory is correct

Indirect mechanisms in electron-impact ionization of multiply charged ions

International Nuclear Information System (INIS)

Phaneuf, R.A.; Gregory, D.C.

1986-09-01

The important role of indirect-ionization mechanisms in electron-impact ionization of multiply charged ions has been emphasized by some recent experiments conducted with the ORNL-ECR multicharged ion source. Illustrative examples of investigations of the Mg-isoelectronic and Fe-isonuclear sequences are presented and compared with the results of detailed theoretical calculations. New experimental data is also presented concerning the role of resonance effects in the ionization of Li-like O 5+ and Na-like Fe 15+ ions

Probing the rate-determining region of the potential energy surface for a prototypical ion-molecule reaction.

Science.gov (United States)

Xie, Changjian; Liu, Xinguo; Sweeny, Brendan C; Miller, Thomas M; Ard, Shaun G; Shuman, Nicholas S; Viggiano, Albert A; Guo, Hua

2018-03-13

We report a joint experimental-theoretical study of the F -  + HCl → HF + Cl - reaction kinetics. The experimental measurement of the rate coefficient at several temperatures was made using the selected ion flow tube method. Theoretical rate coefficients are calculated using the quasi-classical trajectory method on a newly developed global potential energy surface, obtained by fitting a large number of high-level ab initio points with augmentation of long-range electrostatic terms. In addition to good agreement between experiment and theory, analyses suggest that the ion-molecule reaction rate is significantly affected by shorter-range interactions, in addition to the traditionally recognized ion-dipole and ion-induced dipole terms. Furthermore, the statistical nature of the reaction is assessed by comparing the measured and calculated HF product vibrational state distributions to that predicted by the phase space theory.This article is part of the theme issue 'Modern theoretical chemistry'. © 2018 The Author(s).

Fast-ion transport during repetitive burst phenomena of toroidal Alfven eigenmodes in the Large Helical Device

International Nuclear Information System (INIS)

Nishiura, M.; Isobe, M.; Yamamoto, S.

2008-10-01

Alfven instabilities induced fast-ion losses have been directly observed for the first time by a newly developed scintillator lost ion probe (SLIP) in the Large Helical Device (LHD). The SLIP can measure the pitch angle and gyro radius of escaped fast ions toward loss region. Neutral beam driven Alfven Eigenmodes (AEs) are excited under the reactor relevant conditions: the ratio of fast ion (beam) speed υ b and Alfven speed υ A is more than 0.3 - 4.0. The beta value for fast ions is considered roughly to be ∼10%. Non-linear phenomena related to Alfven instabilities are observed under such conditions. During repetitive Toroidal Alfven Eigenmode (TAE) bursts, synchronized fast ion losses are observed by SLIP. From the orbit calculation the measured fast ion with pitch angle of 130 degrees and beam energy of 150 keV surely pass through the locations of TAE gaps. The orbit analysis found that the observed fast ions interact strongly with the excited TAEs. This result becomes the first experimental evidence of radial transport of fast ions predicted theoretically during TAE activities. In addition, from the correlation between stored energy degradation and fast-ion loss rate, it is found that fast-ion losses induced by TAE activities with low toroidal mode numbers categorize two phenomena without and with fast- ion loss enhancements, which indicate the fast-ion redistribution and loss. (author)

The theoretical aspects of UrQMD & AMPT models

Energy Technology Data Exchange (ETDEWEB)

Saini, Abhilasha, E-mail: kashvini.abhi@gmail.com [Research Scholar, Department of Physics, Suresh Gyan vihar University, Jaipur (India); Bhardwaj, Sudhir, E-mail: sudhir.hep@gmail.com [Assistant professor, Govt. College of Engineering & Technology, Bikaner (India)

2016-05-06

The field of high energy physics is very challenging in carrying out theories and experiments to unlock the secrets of heavy ion collisions and still not cracked and solved completely. There are many theoretical queries; some may be due to the inherent causes like the non-perturbative nature of QCD in the strong coupling limit, also due to the multi-particle production and evolution during the heavy ion collisions which increase the complexity of the phenomena. So for the purpose of understanding the phenomena, variety of theories and ideas are developed which are usually implied in the form of Monte-Carlo codes. The UrQMD model and the AMPT model are discussed here in detail. These methods are useful in modeling the nuclear collisions.

Hydrogen-related effects in crystalline semiconductors

International Nuclear Information System (INIS)

Haller, E.E.

1988-08-01

Recent experimental and theoretical information regarding the states of hydrogen in crystalline semiconductors is reviewed. The abundance of results illustrates that hydrogen does not preferentially occupy a few specific lattice sites but that it binds to native defects and impurities, forming a large variety of neutral and electrically active complexes. The study of hydrogen passivated shallow acceptors and donors and of partially passivated multivalent acceptors has yielded information on the electronic and real space structure and on the chemical composition of these complexes. Infrared spectroscopy, ion channeling, hydrogen isotope substitution and electric field drift experiments have shown that both static trigonal complexes as well as centers with tunneling hydrogen exist. Total energy calculations indicate that the charge state of the hydrogen ion which leads to passivation dominates, i.e., H + in p-type and H/sup /minus// in n-type crystals. Recent theoretical calculations indicate that is unlikely for a large fraction of the atomic hydrogen to exist in its neutral state, a result which is consistent with the total absence of any Electron Paramagnetic Resonance (EPR) signal. An alternative explanation for this result is the formation of H 2 . Despite the numerous experimental and theoretical results on hydrogen-related effects in Ge and Si there remains a wealth of interesting physics to be explored, especially in compound and alloy semiconductors. 6 refs., 6 figs

Status of Charge Exchange Cross Section Measurements for Highly Charged Ions on Atomic Hydrogen

Science.gov (United States)

Draganic, I. N.; Havener, C. C.; Schultz, D. R.; Seely, D. G.; Schultz, P. C.

2011-05-01

Total cross sections of charge exchange (CX) for C5+, N6+, and O7+ ions on ground state atomic hydrogen are measured in an extended collision energy range of 1 - 20,000 eV/u. Absolute CX measurements are performed using an improved merged-beams technique with intense highly charged ion beams extracted from a 14.5 GHz ECR ion source mounted on a high voltage platform. In order to improve the problematic H+ signal collection for these exoergic CX collisions at low relative energies, a new double focusing electrostatic analyzer was installed. Experimental CX data are in good agreement with all previous H-oven relative measurements at higher collision energies. We compare our results with the most recent molecular orbital close-coupling (MOCC) and atomic orbital close-coupling (AOCC) theoretical calculations. Work supported by the NASA Solar & Heliospheric Physics Program NNH07ZDA001N, the Office of Fusion Energy Sciences and the Division of Chemical Sciences, Geosciences, and Biosciences, and the Office of Basic Energy Sciences of the U.S. DoE.

Experimental investigation of the suitability of the track structure theory in describing the relative effectiveness of high-let irradiation of physical radiation detectors

International Nuclear Information System (INIS)

Hansen, J.W.

1984-11-01

The radiation effectiveness of heavy charged particles relative to radiations of fast electrons, x-rays, and gamma rays has been studied experimentally as well as theoretically for detectors of a thin nylon-based radiation-sensitive film and for the amino acid alanine. Experimental data have been compared with calculated data derived from a theoretical model describing the track structure of heavy charged particles. The experimental work comprises dose-response characteristics from 60 Co γ-rays, 4- and 16-MV x-rays, 6-,10-, and 20-MeV electrons, and 3-, 6-, and 16-MeV protons, 10- and 20-MeV α-particles, 21-MeV 7 Li ions, 42-MeV 14 N ions, 64-MeV 16 O ions, and 80-MeV 32 S ions. The theoretical work presented here concerns an investigation and modification of parameters involved in the calculations, based on results obtained through the present experiments and published results from other investigators. This report summarizes results already published or accepted for publication, attaches an appendix, and includes results not previously presented. (author)

Progress in Polarized 3He Ion Source at RCNP

International Nuclear Information System (INIS)

Tanaka, M.; Takahashi, Y.; Shimoda, T.; Yasui, S.; Yosoi, M.; Takahisa, K.; Shimakura, N.; Plis, Yu. A.; Donets, E. D.

2007-01-01

A long history on the polarized 3He ion source developed at RCNP is presented. We started with an 'OPPIS' (Optical Pumping Polarized Ion Source) and later found the fundamental difficulties in the OPPIS. To overcome them an 'EPPIS' (Electron Pumping Polarized Ion Source) was proposed and its validity was experimentally proven. However, a serious technical disadvantage was also found in the EPPIS. To avoid this disadvantage we proposed a new concept, 'SEPIS' (Spin Exchange Polarized Ion Source), which uses an enhanced spin-exchange cross section theoretically expected at low 3He+ incident energies in the 3He+ + Rb system. Next, we describe the present status of the SEPIS development: construction of a bench test device allowing the measurements of not only the spin-exchange cross sections σse but also the electron capture cross sections σec for the 3He+ + Rb system. The latest experimental data on σec are presented and compared with other previous experimental data and the theoretical calculations.Finally, a design study of the SEPIS for practical use in nuclear (cyclotron) and particle physics (synchrotron) is shortly mentioned

2013 GASEOUS IONS GORDON RESEARCH CONFERENCE, FEBRUARY 24 - MARCH 1, 2013

Energy Technology Data Exchange (ETDEWEB)

Williams, Evan

2013-03-01

The Gaseous Ions: Structures, Energetics and Reactions Gordon Research Conference will focus on ions and their interactions with molecules, surfaces, electrons, and light. The long-standing goal of our community is to develop new strategies for capturing complex molecular architectures as gas phase ions where they can be isolated, characterized and manipulated with great sensitivity. Emergent areas of interest include catalytic mechanisms, cryogenic processing of ions extracted from solution, ion fragmentation mechanisms, and new methods for ion formation and structural characterization. The conference will cover theoretical and experimental advances on systems ranging from model studies at the molecular scale to preparation of nanomaterials and characterization of large biological molecules.

Modification of high density polyethylene by gold implantation using different ion energies

Energy Technology Data Exchange (ETDEWEB)

Nenadović, M.; Potočnik, J. [INS Vinca, Laboratory of Atomic Physics, University of Belgrade, Mike Alasa 12–14, 11001 Belgrade (Serbia); Mitrić, M. [INS Vinca, Condensed Matter Physics Laboratory, University of Belgrade, Mike Alasa 12–14, 11001 Belgrade (Serbia); Štrbac, S. [ICTM Institute of Electrochemistry, University of Belgrade, Njegoseva 12, 11001 Belgrade (Serbia); Rakočević, Z., E-mail: zlatkora@vinca.rs [INS Vinca, Laboratory of Atomic Physics, University of Belgrade, Mike Alasa 12–14, 11001 Belgrade (Serbia)

2013-11-01

High density polyethylene (HDPE) samples were modified by Au{sup +} ion implantation at a dose of 5 × 10{sup 15} ions cm{sup −2}, using energies of 50, 100, 150 and 200 keV. The existence of implanted gold in the near-surface region of HDPE samples was confirmed by X-ray diffraction analysis. Surface roughness and Power Spectral Density analyses based on Atomic Force Microscopy (AFM) images of the surface topography revealed that the mechanism of HDPE modification during gold ion implantation depended on the energy of gold ions. Histograms obtained from phase AFM images indicated a qualitative change in the chemical composition of the surface during implantation with gold ions with different energies. Depth profiles obtained experimentally from cross-sectional Force Modulation Microscopy images and ones obtained from a theoretical simulation are in agreement for gold ions energies lower than 100 keV. The deviation that was observed for higher energies of the gold ions is explained by carbon precipitation in the near surface region of the HDPE, which prevented the penetration of gold ions further into the depth of the sample. - Highlights: • HDPE was implanted by Au{sup +} ions using energies of 50, 100, 150 and 200 keV. • Surface composition was analyzed from phase AFM images. • FMM depth profiles are in agreement with theoretical ones for energies up to 100 keV. • A deviation is observed for higher gold ion energies.

Modification of high density polyethylene by gold implantation using different ion energies

International Nuclear Information System (INIS)

Nenadović, M.; Potočnik, J.; Mitrić, M.; Štrbac, S.; Rakočević, Z.

2013-01-01

High density polyethylene (HDPE) samples were modified by Au + ion implantation at a dose of 5 × 10 15 ions cm −2 , using energies of 50, 100, 150 and 200 keV. The existence of implanted gold in the near-surface region of HDPE samples was confirmed by X-ray diffraction analysis. Surface roughness and Power Spectral Density analyses based on Atomic Force Microscopy (AFM) images of the surface topography revealed that the mechanism of HDPE modification during gold ion implantation depended on the energy of gold ions. Histograms obtained from phase AFM images indicated a qualitative change in the chemical composition of the surface during implantation with gold ions with different energies. Depth profiles obtained experimentally from cross-sectional Force Modulation Microscopy images and ones obtained from a theoretical simulation are in agreement for gold ions energies lower than 100 keV. The deviation that was observed for higher energies of the gold ions is explained by carbon precipitation in the near surface region of the HDPE, which prevented the penetration of gold ions further into the depth of the sample. - Highlights: • HDPE was implanted by Au + ions using energies of 50, 100, 150 and 200 keV. • Surface composition was analyzed from phase AFM images. • FMM depth profiles are in agreement with theoretical ones for energies up to 100 keV. • A deviation is observed for higher gold ion energies

Photodissociation spectroscopy of the dysprosium monochloride molecular ion

Energy Technology Data Exchange (ETDEWEB)

Dunning, Alexander, E-mail: alexander.dunning@gmail.com; Schowalter, Steven J.; Puri, Prateek; Hudson, Eric R. [Department of Physics and Astronomy, University of California, Los Angeles, California 90095 (United States); Petrov, Alexander; Kotochigova, Svetlana [Department of Physics, Temple University, Philadelphia, Pennsylvania 19122 (United States)

2015-09-28

We have performed a combined experimental and theoretical study of the photodissociation cross section of the molecular ion DyCl{sup +}. The photodissociation cross section for the photon energy range 35 500 cm{sup −1} to 47 500 cm{sup −1} is measured using an integrated ion trap and time-of-flight mass spectrometer; we observe a broad, asymmetric profile that is peaked near 43 000 cm{sup −1}. The theoretical cross section is determined from electronic potentials and transition dipole moments calculated using the relativistic configuration-interaction valence-bond and coupled-cluster methods. The electronic structure of DyCl{sup +} is extremely complex due to the presence of multiple open electronic shells, including the 4f{sup 10} configuration. The molecule has nine attractive potentials with ionically bonded electrons and 99 repulsive potentials dissociating to a ground state Dy{sup +} ion and Cl atom. We explain the lack of symmetry in the cross section as due to multiple contributions from one-electron-dominated transitions between the vibrational ground state and several resolved repulsive excited states.

Quantification of the Relative Biological Effectiveness for Ion Beam Radiotherapy: Direct Experimental Comparison of Proton and Carbon Ion Beams and a Novel Approach for Treatment Planning

International Nuclear Information System (INIS)

Elsaesser, Thilo; Weyrather, Wilma K.; Friedrich, Thomas; Durante, Marco; Iancu, Gheorghe; Kraemer, Michael; Kragl, Gabriele; Brons, Stephan; Winter, Marcus; Weber, Klaus-Josef; Scholz, Michael

2010-01-01

Purpose: To present the first direct experimental in vitro comparison of the biological effectiveness of range-equivalent protons and carbon ion beams for Chinese hamster ovary cells exposed in a three-dimensional phantom using a pencil beam scanning technique and to compare the experimental data with a novel biophysical model. Methods and Materials: Cell survival was measured in the phantom after irradiation with two opposing fields, thus mimicking the typical patient treatment scenario. The novel biophysical model represents a substantial extension of the local effect model, previously used for treatment planning in carbon ion therapy for more than 400 patients, and potentially can be used to predict effectiveness of all ion species relevant for radiotherapy. A key feature of the new approach is the more sophisticated consideration of spatially correlated damage induced by ion irradiation. Results: The experimental data obtained for Chinese hamster ovary cells clearly demonstrate that higher cell killing is achieved in the target region with carbon ions as compared with protons when the effects in the entrance channel are comparable. The model predictions demonstrate agreement with these experimental data and with data obtained with helium ions under similar conditions. Good agreement is also achieved with relative biological effectiveness values reported in the literature for other cell lines for monoenergetic proton, helium, and carbon ions. Conclusion: Both the experimental data and the new modeling approach are supportive of the advantages of carbon ions as compared with protons for treatment-like field configurations. Because the model predicts the effectiveness for several ion species with similar accuracy, it represents a powerful tool for further optimization and utilization of the potential of ion beams in tumor therapy.

Theoretical and experimental study of the electron distribution function in the plasma of an electron cyclotron resonance ion source

International Nuclear Information System (INIS)

Girard, A.; Perret, C.; Bourg, F.; Khodja, H.; Melin, G.; Lecot, C.

1997-01-01

Electron Cyclotron Resonance Ion Sources (ECRIS) are mirror machines which can deliver important fluxes of Highly Charged Ions (HCI). These performances are strongly correlated with hot electrons sustained by an RF wave. This paper presents an analysis of the EDF in an ECR source. In the first part of the paper a one-dimensional Fokker-Planck code for the Electron Distribution Function is presented: this code includes a quasilinear diffusion operator for the RF wave, a collision term and a source term due to electron impact ionization. The present status of this code is presented. In the second part of the paper experiments related to the measurement of the EDF are presented: electron density, diamagnetism, electron endloss current have been measured at the Quadrumafios ECRIS. With these results it is possible to give a precise description of the EDF. (author)

On the relation of the theoretical foundations of quantum theory and general relativity theory; Ueber die Beziehung der begrifflichen Grundlagen der Quantentheorie und der Allgemeinen Relativitaetstheorie

Energy Technology Data Exchange (ETDEWEB)

Kober, Martin

2010-07-01

The specific content of the present thesis is presented in the following way. First the most important contents of quantum theory and general relativity theory are presented. In connection with the general relativity theory the mathematical property of the diffeomorphism invariance plays the deciding role, while concerning the quantum theory starting from the Copenhagen interpretation first the measurement problem is treated, before basing on the analysis of concrete phenomena and the mathematical apparatus of quantum theory the nonlocality is brought into focus as an important property. This means that both theories suggest a relationalistic view of the nature of the space. This analysis of the theoretical foundations of quantum theory and general relativity theory in relation to the nature of the space obtains only under inclusion of Kant's philosophy and his analysis of the terms space and time as fundamental forms of perception its full persuasive power. Then von Weizsaeckers quantum theory of the ur-alternatives is presented. Finally attempts are made to apply the obtained knowledge to the question of the quantum-theoretical formulation of general relativity theory.

Design study of electron cyclotron resonance-ion plasma accelerator for heavy ion cancer therapy

International Nuclear Information System (INIS)

Inoue, T.; Sugimoto, S.; Sasai, K.; Hattori, T.

2014-01-01

Electron Cyclotron Resonance-Ion Plasma Accelerator (ECR-IPAC) device, which theoretically can accelerate multiple charged ions to several hundred MeV with short acceleration length, has been proposed. The acceleration mechanism is based on the combination of two physical principles, plasma electron ion adiabatic ejection (PLEIADE) and Gyromagnetic Autoresonance (GYRAC). In this study, we have designed the proof of principle machine ECR-IPAC device and simulated the electromagnetic field distribution generating in the resonance cavity. ECR-IPAC device consisted of three parts, ECR ion source section, GYRAC section, and PLEIADE section. ECR ion source section and PLEIADE section were designed using several multi-turn solenoid coils and sextupole magnets, and GYRAC section was designed using 10 turns coil. The structure of ECR-IPAC device was the cylindrical shape, and the total length was 1024 mm and the maximum diameter was 580 mm. The magnetic field distribution, which maintains the stable acceleration of plasma, was generated on the acceleration center axis throughout three sections. In addition, the electric field for efficient acceleration of electrons was generated in the resonance cavity by supplying microwave of 2.45 GHz

New developments in stopping power for fast ions

International Nuclear Information System (INIS)

Paul, Helmut

2007-01-01

We discuss the available stopping power tables and codes, and new experimental methods. Among the semi-empirical stopping power tables, SRIM and MSTAR describe experimental data best. Of the recent theoretical stopping codes CasP, PASS, TCS and dielectric formalism, all describe some data well. PASS is the only theoretical code with an extended table for many ions and targets, but on the average, its predictive value at low energies is less than that of SRIM or MSTAR. The first-principle extended classical trajectory Monte Carlo method is very promising. The ToF-E ERDA arrangements have made it possible to produce accurate data for many ion-target combinations. A new liquid jet target method promises data for liquid water which is an important substance for medical dosimetry

THEORETICAL CEPHEID PERIOD-LUMINOSITY AND PERIOD-COLOR RELATIONS IN SPITZER IRAC BANDS

International Nuclear Information System (INIS)

Ngeow, Chow-Choong; Marconi, Marcella; Musella, Ilaria; Cignoni, Michele; Kanbur, Shashsi M.

2012-01-01

In this paper, the synthetic period-luminosity (P-L) relations in Spitzer's IRAC bands, based on a series of theoretical pulsation models with varying metal and helium abundance, were investigated. Selected sets of these synthetic P-L relations were compared to the empirical IRAC band P-L relations recently determined from Galactic and Magellanic Clouds Cepheids. For the Galactic case, synthetic P-L relations from model sets with (Y = 0.26, Z = 0.01), (Y = 0.26, Z = 0.02), and (Y = 0.28, Z = 0.02) agree with the empirical Galactic P-L relations derived from the Hubble Space Telescope parallaxes. For Magellanic Cloud Cepheids, the synthetic P-L relations from model sets with (Y = 0.25, Z = 0.008) agree with both of the empirical Large Magellanic Cloud (LMC) and Small Magellanic Cloud P-L relations. Analysis of the synthetic P-L relations from all model sets suggested that the IRAC band P-L relations may not be independent of metallicity, as the P-L slopes and intercepts could be affected by the metallicity and/or helium abundance. We also derive the synthetic period-color (P-C) relations in the IRAC bands. Non-vanishing synthetic P-C relations were found for certain combinations of IRAC band filters and metallicity. However, the synthetic P-C relations disagreed with the [3.6]-[8.0] P-C relation recently found for the Galactic Cepheids. The synthetic [3.6]-[4.5] P-C slope from the (Y = 0.25, Z = 0.008) model set, on the other hand, is in excellent agreement to the empirical LMC P-C counterpart, if a period range 1.0 < log (P) < 1.8 is adopted.

Nanodiamonds act as Trojan horse for intracellular delivery of metal ions to trigger cytotoxicity.

Science.gov (United States)

Zhu, Ying; Zhang, Yu; Shi, Guosheng; Yang, Jinrong; Zhang, Jichao; Li, Wenxin; Li, Aiguo; Tai, Renzhong; Fang, Haiping; Fan, Chunhai; Huang, Qing

2015-02-05

Nanomaterials hold great promise for applications in the delivery of various molecules with poor cell penetration, yet its potential for delivery of metal ions is rarely considered. Particularly, there is limited insight about the cytotoxicity triggered by nanoparticle-ion interactions. Oxidative stress is one of the major toxicological mechanisms for nanomaterials, and we propose that it may also contribute to nanoparticle-ion complexes induced cytotoxicity. To explore the potential of nanodiamonds (NDs) as vehicles for metal ion delivery, we used a broad range of experimental techniques that aimed at getting a comprehensive assessment of cell responses after exposure of NDs, metal ions, or ND-ion mixture: 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay, Trypan blue exclusion text, optical microscope observation, synchrotron-based scanning transmission X-ray microscopy (STXM) and micro X-ray fluorescence (μXRF) microscopy, inductively coupled plasma-mass spectrometry (ICP-MS), reactive oxygen species (ROS) assay and transmission electron microscopy (TEM) observation. In addition, theoretical calculation and molecular dynamics (MD) computation were used to illustrate the adsorption properties of different metal ion on NDs as well as release profile of ion from ND-ion complexes at different pH values. The adsorption capacity of NDs for different metal ions was different, and the adsorption for Cu2+ was the most strong among divalent metal ions. These different ND-ion complexes then had different cytotoxicity by influencing the subsequent cellular responses. Detailed investigation of ND-Cu2+ interaction showed that the amount of released Cu2+ from ND-Cu2+ complexes at acidic lysosomal conditions was much higher than that at neutral conditions, leading to the elevation of intracellular ROS level, which triggered cytotoxicity. By theoretical approaches, we demonstrated that the functional carbon surface and cluster structures of NDs made them

Guiding center theory for ion holes in magnetized plasmas

International Nuclear Information System (INIS)

Jovanovic, D.; Shukla, P.K.

2003-01-01

A drift-kinetic theory for ion phase-space vortices in magnetized plasmas is developed, taking into account the effects of the ion polarization and anisotropic heating by ion beams. It provides a theoretical explanation for the bipolar electrostatic structures in the auroral zone of the Earth's magnetosphere and their spatial and temporal scales, as observed by S3-3, Viking, FREJA, Polar, and FAST spacecrafts. Several types of quasi-three-dimensional ion holes are obtained analytically, in the form of either cylinders or ellipsoids. Although topologically different, they produce similar signals on the spacecraft and cannot be distinguished on the basis of the existing satellite data

Na(3p left-arrow 3s) excitation by impact of slow multiply charged ions

International Nuclear Information System (INIS)

Horvath, G.; Schweinzer, J.; Winter, H.; Aumayr, F.

1996-01-01

We present a systematic experimental and theoretical study of Na(3p left-arrow 3s) excitation by slow (v NaI with projectile ion charge state q is investigated. Due to the dominance of the competing electron capture channels at low collision energies E, the excitation cross sections deviate significantly from a commonly applied σ/q=f(E/q) cross-section scaling relation. copyright 1996 The American Physical Society

IONEOS: a fast, analytic, ion equation-of-state routine

International Nuclear Information System (INIS)

Cranfill, C.W.; More, R.

1978-10-01

A routine IONEOS has been developed to compute ion pressure and specific energy along with their derivatives. The theoretical model used is due to R.D. Cowan and includes non-ideal-gas behavior. The routine is designed for use in large hydrodynamics codes as an improved procedure for splitting the total pressure and specific energy (which are usually tabulated) into ion and electron components

Plasma sheath physics and dose uniformity in enhanced glow discharge plasma immersion ion implantation and deposition

International Nuclear Information System (INIS)

Li Liuhe; Li Jianhui; Kwok, Dixon T. K.; Chu, Paul K.; Wang Zhuo

2009-01-01

Based on the multiple-grid particle-in-cell code, an advanced simulation model is established to study the sheath physics and dose uniformity along the sample stage in order to provide the theoretical basis for further improvement of enhanced glow discharge plasma immersion ion implantation and deposition. At t=7.0 μs, the expansion of the sheath in the horizontal direction is hindered by the dielectric cage. The electron focusing effect is demonstrated by this model. Most of the ions at the inside wall of the cage are implanted into the edge of the sample stage and a relatively uniform ion fluence distribution with a large peak is observed at the end. Compared to the results obtained from the previous model, a higher implant fluence and larger area of uniformity are disclosed.

Time-Resolved Magnetic Field Effects Distinguish Loose Ion Pairs from Exciplexes

Science.gov (United States)

2013-01-01

We describe the experimental investigation of time-resolved magnetic field effects in exciplex-forming organic donor–acceptor systems. In these systems, the photoexcited acceptor state is predominantly deactivated by bimolecular electron transfer reactions (yielding radical ion pairs) or by direct exciplex formation. The delayed fluorescence emitted by the exciplex is magnetosensitive if the reaction pathway involves loose radical ion pair states. This magnetic field effect results from the coherent interconversion between the electronic singlet and triplet radical ion pair states as described by the radical pair mechanism. By monitoring the changes in the exciplex luminescence intensity when applying external magnetic fields, details of the reaction mechanism can be elucidated. In this work we present results obtained with the fluorophore-quencher pair 9,10-dimethylanthracene/N,N-dimethylaniline (DMA) in solvents of systematically varied permittivity. A simple theoretical model is introduced that allows discriminating the initial state of quenching, viz., the loose ion pair and the exciplex, based on the time-resolved magnetic field effect. The approach is validated by applying it to the isotopologous fluorophore-quencher pairs pyrene/DMA and pyrene-d10/DMA. We detect that both the exciplex and the radical ion pair are formed during the initial quenching stage. Upon increasing the solvent polarity, the relative importance of the distant electron transfer quenching increases. However, even in comparably polar media, the exciplex pathway remains remarkably significant. We discuss our results in relation to recent findings on the involvement of exciplexes in photoinduced electron transfer reactions. PMID:24041160

Theoretical research on charge exchange of uranum ions at thermal energies

International Nuclear Information System (INIS)

Bardsley, J.N.

1975-01-01

The cross section for resonant charge transfer in U + -U collisions is calculated as a function of the energy in the center-of-mass coordinate frame. The computed value decreases monotonically from approximately 300 A 2 at 0.025 eV to 100 A 2 at 50 eV. The latter value would be appropriate for ions of energy 100 eV moving through a gas of neutral atoms at thermal velocities

Experimental evidence of beam-foil plasma creation during ion-solid interaction

Energy Technology Data Exchange (ETDEWEB)

Sharma, Prashant, E-mail: prashant@iuac.res.in; Nandi, Tapan [Inter University Accelerator Centre, Aruna Asaf Ali Marg, New Delhi 110067 (India)

2016-08-15

Charge state evolution of the energetic projectile ions during the passage through thin carbon foils has been revisited using the X-ray spectroscopy technique. Contributions from the bulk and the solid surface in the charge changing processes have been segregated by measuring the charge state distribution of the projectile ions in the bulk of the target during the ion–solid interaction. Interestingly, the charge state distribution measured in the bulk exhibits Lorentzian profile in contrast to the well-known Gaussian structure observed using the electromagnetic methods and the theoretical predictions. The occurrence of such behavior is a direct consequence of the imbalance between charge changing processes, which has been seen in various cases of the laboratory plasma. It suggests that the ion-solid collisions constitute high-density, localized plasma in the bulk of the solid target, called the beam-foil plasma. This condensed beam-foil plasma is similar to the high-density solar and stellar plasma which may have practical implementations in various fields, in particular, plasma physics and nuclear astrophysics. The present work suggests further modification in the theoretical charge state distribution calculations by incorporating the plasma coupling effects during the ion–solid interactions. Moreover, the multi-electron capture from the target exit surface has been confirmed through comparison between experimentally measured and theoretically predicted values of the mean charge state of the projectile ions.

Sigma meson in heavy ion collision

International Nuclear Information System (INIS)

Cristian, Ivan; Fuchs, Christian

2004-01-01

We want to present a short theoretical prediction of the behaviour of the sigma meson in heavy ion collisions. It is considered that the sigma meson is a pion-pion correlation, resulting from the decay of the N*(1440) resonance. There will be presented some QMD simulations. (authors)

Studies of electron cyclotron resonance ion source plasma physics

International Nuclear Information System (INIS)

Tarvainen, O.

2005-01-01

This thesis consists of an introduction to the plasma physics of electron cyclotron resonance ion sources (ECRIS) and a review of the results obtained by the author and co-workers including discussion of related work by others. The thesis begins with a theoretical discussion dealing with plasma physics relevant for the production of highly charged ions in ECR ion source plasmas. This is followed by an overview of different techniques, such as gas mixing and double frequency heating, that can be used to improve the performance of this type of ion source. The experimental part of the work consists of studies related to ECRIS plasma physics. The effect of the gas mixing technique on the production efficiency of different ion beams was studied with both gaseous and solid materials. It was observed that gas mixing improves the confinement of the heavier element while the confinement of the lighter element is reduced. When the effect of gas mixing on MIVOC-plasmas was studied with several mixing gases it was observed that applying this technique can reduce the inevitable carbon contamination by a significant factor. In order to understand the different plasma processes taking place in ECRIS plasmas, a series of plasma potential and emittance measurements was carried out. An instrument, which can be used to measure the plasma potential in a single measurement without disturbing the plasma, was developed for this work. Studying the plasma potential of ECR ion sources is important not only because it helps to understand different plasma processes, but also because the information can be used as an input parameter for beam transport simulations and ion source extraction design. The experiments performed have revealed clear dependencies of the plasma potential on certain source parameters such as the amount of carbon contamination accumulated on the walls of the plasma chamber during a MIVOC-run. It was also observed that gas mixing affects not only the production efficiency

Gibbs energies of protonation and complexation of platinum and vanadate metal ions with naringenin and phenolic acids: Theoretical calculations associated with experimental values

International Nuclear Information System (INIS)

Fazary, Ahmed E.; Alshihri, Ayed S.; Alfaifi, Mohammad Y.; Saleh, Kamel A.; Elbehairi, Serag Eldin I.; Fawy, Khaled F.; Abd-Rabboh, Hisham S.M.

2016-01-01

Highlights: • The experimental thermodynamic equilibrium and stability constants of vanadium and platinum complexes involving naringin, ferulic acid, p-coumaric acid, caffeic acid, vanillic acid, sinapic acid, and gallic acid were determined. • The theoretical calculations of the free energy changes associated with the ligand protonation, and metal ion–ligand complex formation equilibria using density function theory calculations, providing a complete picture of the microscopic equilibria of the studied complex systems. - Abstract: The Experimental thermodynamic equilibrium (pK_a values) and stability (log β) constants of vanadium and platinum binary and mixed ligand complexes involving naringenin, ferulic acid, p-coumaric acid, caffeic acid, vanillic acid, sinapic acid, and gallic acid were determined at 310.15 K in 0.16 mol·dm"−"3 KCl aqueous solutions using pH-potentiometric technique and by means of two estimation models (HYPERQUAD 2008 and Bjerrum–Calvin). The theoretical calculations of overall protonation and stability constants of the metal complex species in solution were predicted as the free energy change associated with the ligand protonation, and metal ion–ligand complex formation equilibria (species solvation/de-solvation) using ab initio and density function theory (DFT) calculations. The usage of the experimental potentiometry technique and theoretical predictions provides a complete picture of the microscopic equilibria of the studied systems (vanadium/platinum–naringenin–phenolic acid). Specifically, this theoretically DFT predications would be useful to determine the most real protonation constants of the studied bioligands in which the binding sites changes due to the ligand protonation/deprotonation equilibria. Also, the complexing capacities of vanadium and platinum towards naringenin, ferulic acid, p-coumaric acid, caffeic acid, vanillic acid, sinapic acid, and gallic acid in solutions were evaluated and discussed. From the

Theoretical interpretation of high-energy nuclear collisions

International Nuclear Information System (INIS)

Fai, G.

1992-06-01

Nuclear collisions are interpreted theoretically. The nuclear equation of state is studied in a wide energy range. Subnucleonic degrees of freedom are invoked at high energy densities and at short length-scales. Questions of dynamical collision simulations are investigated. Direct support is provided for experiment in the form of collaborative projects. The major objective of this nuclear theory program is a better understanding of the properties of strongly interacting matter on the nuclear energy scale, as manifested in high-energy heavy-ion collisions

Methodological and theoretical issues in the comparative analysis of gender relations in Western Europe

OpenAIRE

S Walby

1994-01-01