Vibrational relaxation induced population inversions in laser pumped polyatomic molecules

International Nuclear Information System (INIS)

Shamah, I.; Flynn, G.; Columbia Univ., New York

1981-01-01

Conditions for population inversion in laser pumped polyatomic molecules are described. For systems which exhibit metastable vibrational population distributions, large, long lived inversions are possible even when the vibrational modes are strongly coupled by rapid collisional vibration-vibration (V-V) energy transfer. Overtone states of a hot mode are found to invert with respect to fundamental levels of a cold mode even at V-V steady state. Inversion persists for a V-T/R relaxation time. A gain of 4 m -1 for the 2ν 3 → ν 2 transition in CH 3 F (lambda approx. 15.9 μ) was found assuming a spontaneous emission lifetime of 10 s for this transition. General equations are derived which can be used to determine the magnitude of population inversion in any laser pumped, vibrationally metastable, polyatomic molecule. A discussion of factors controlling the population maxima of different vibrational states in optically pumped, V-V equilibrated metastable polyatomics is also given. (orig./WL)

Cluster secondary ion mass spectrometry microscope mode mass spectrometry imaging.

Science.gov (United States)

Kiss, András; Smith, Donald F; Jungmann, Julia H; Heeren, Ron M A

2013-12-30

Microscope mode imaging for secondary ion mass spectrometry is a technique with the promise of simultaneous high spatial resolution and high-speed imaging of biomolecules from complex surfaces. Technological developments such as new position-sensitive detectors, in combination with polyatomic primary ion sources, are required to exploit the full potential of microscope mode mass spectrometry imaging, i.e. to efficiently push the limits of ultra-high spatial resolution, sample throughput and sensitivity. In this work, a C60 primary source was combined with a commercial mass microscope for microscope mode secondary ion mass spectrometry imaging. The detector setup is a pixelated detector from the Medipix/Timepix family with high-voltage post-acceleration capabilities. The system's mass spectral and imaging performance is tested with various benchmark samples and thin tissue sections. The high secondary ion yield (with respect to 'traditional' monatomic primary ion sources) of the C60 primary ion source and the increased sensitivity of the high voltage detector setup improve microscope mode secondary ion mass spectrometry imaging. The analysis time and the signal-to-noise ratio are improved compared with other microscope mode imaging systems, all at high spatial resolution. We have demonstrated the unique capabilities of a C60 ion microscope with a Timepix detector for high spatial resolution microscope mode secondary ion mass spectrometry imaging. Copyright © 2013 John Wiley & Sons, Ltd.

Molecular structure studies by 3D imaging of fast ion beams

International Nuclear Information System (INIS)

Kanter, E.P.; Vager, Z.; Both, G.; Cooney, P.J.; Faibis, A.; Koenig, W.; Zabransky, B.J.; Zajfman, D.

1986-01-01

The use of the Coulomb-explosion technique combined with a radically new multi-particle detector, extremely thin film targets, and low-excitation ion source has enabled, for the first time, direct measurements of the complete stereochemistry of complex polyatomic molecular ions. We outline the methods used and present results for protonated acetylene (C 2 H 3 + ) and the methane cation (CH 4 + ) as examples. We demonstrate the techniques by which these methods can be generalized to determine directly vibrational motions in polyatomic molecules. 24 refs., 4 figs

Electrondriven processes in polyatomic molecules

Energy Technology Data Exchange (ETDEWEB)

McKoy, Vincent [California Inst. of Technology (CalTech), Pasadena, CA (United States)

2017-03-20

This project developed and applied scalable computational methods to obtain information about low-energy electron collisions with larger polyatomic molecules. Such collisions are important in modeling radiation damage to living systems, in spark ignition and combustion, and in plasma processing of materials. The focus of the project was to develop efficient methods that could be used to obtain both fundamental scientific insights and data of practical value to applications.

Low energy elastic electron scattering from polyatomic targets

International Nuclear Information System (INIS)

Khakoo, M A

2008-01-01

New differential cross-section measurements for elastic electron scattering from ethylene (C 2 H 4 ), three primary alcohols, methanol (CH 3 OH), ethanol (C 2 H 5 OH) and propanol (C 3 H 7 OH) are reported. The measurements are obtained using the relative flow method with a thin aperture as the collimating target gas source. The relative flow method is applied without the molecular diameters restriction imposed by the relative flow pressure condition on helium (the calibrating gas) and the unknown gases (the primary alcohols). The experimental data were taken at incident electron energies of 1eV, 2eV, 5eV, 10eV, 15eV, 20eV, 30eV, 50eV and 100eV, but only a brief survey of these results will be made here. The experimental results are compared to theoretical differential cross-sections are obtained by using the variational multi-channel Schwinger method. Initial comparisons between theory and experiment show that present theory is well-able to model low electron scattering from these polyatomic targets.

Reaction dynamics in polyatomic molecular systems

Energy Technology Data Exchange (ETDEWEB)

Miller, W.H. [Lawrence Berkeley Laboratory, CA (United States)

1993-12-01

The goal of this program is the development of theoretical methods and models for describing the dynamics of chemical reactions, with specific interest for application to polyatomic molecular systems of special interest and relevance. There is interest in developing the most rigorous possible theoretical approaches and also in more approximate treatments that are more readily applicable to complex systems.

Ion desorption phenomena induced by various types of multiply charged projectiles and by photons on solid surfaces

International Nuclear Information System (INIS)

Beyec, Y. Le.

1991-01-01

Ion desorption experiments are described in two regions of primary ion velocities corresponding to two distinct classes of interaction mechanism. At low speeds, atomic collisions take place, at higher speeds than the electron velocity, electronic collisions occur. Experiments with fast ions above 0.2 MeV/u are described, using 32 S and 235 U ions obtained in a cyclotron and a linear accelerator. Emission of H + ions from solid surfaces is measured and analyzed, and applied to the determination of the charge state of a fast ion in a solid. Experiments using single atomic and polyatomic, keV ions, and organic and CsI cluster ions as projectiles are also presented. Finally, laser desorption is discussed. (R.P.) 81 refs., 27 figs., 2 tabs

Thermal ion-molecule reactions in oxygen-containing molecules

International Nuclear Information System (INIS)

Kumakura, Minoru

1981-02-01

The energetics of ions and the thermal ion-molecule reactions in oxygen-containing molecules have been studied with a modified time-of-flight mass spectrometer. It was found that the translational energy of ion can be easily obtained from analysis of the decay curve using the time-of-flight mass spectrometer. The condensation-elimination reactions proceeded via cross- and homo-elimination mechanism in which the nature of intermediate-complex could be correlated with the nature of reactant ion. It was elucidated that behavior of poly-atomic oxygen-containing ions on the condensation-elimination reactions is considerably influenced by their oxonium ion structures having functional groups. In addition, the rate constants of the condensation-elimination reactions have affected with the energy state of reactant ion and the dipole moment and/or the polarizability of neutral molecule. It was clarified that the rate constants of the ion-molecule clustering reactions in poly-atomic oxygen-containing molecules such as cyclic ether of six member rings are very large and the cluster ions are stable owing to the large number of vibrational degree of freedom in the cluster ions. (author)

Multiple photon infrared processes in polyatomic molecules

International Nuclear Information System (INIS)

Harrison, R.G.; Butcher, S.R.

1980-01-01

This paper reviews current understanding of the process of multiple photon excitation and dissociation of polyatomic molecules, whereby in the presence of an intense infrared laser field a molecule may absorb upwards of 30 photons. The application of this process to new photochemistry and in particular laser isotope separation is also discussed. (author)

Capability of LEP-type surfaces to describe noncollinear reactions 2 - Polyatomic systems

CERN Document Server

Espinosa-Garcia, Joaquin

2001-01-01

In this second article of the series, the popular LEP-type surface for collinear reaction paths and a "bent" surface, which involves a saddle point geometry with a nonlinear central angle, were used to examine the capacity of LEP-type surfaces to describe the kinetics and dynamics of noncollinear reaction paths in polyatomic systems. Analyzing the geometries, vibrational frequencies, curvature along the reaction path (to estimate the tunneling effect and the reaction coordinate-bound modes coupling), and the variational transition- state theory thermal rate constants for the NH//3 + O(**3P) reaction, we found that the "collinear" LEP-type and the "bent" surfaces for this polyatomic system show similar behavior, thus allowing a considerable saving in time and computational effort. This agreement is especially encouraging for this polyatomic system because in the Cs symmetry the reaction proceeds via two electronic states of symmetries **3A prime and **3A double prime , which had to be independently calibrated....

Free and binary rotation of polyatomic molecules

International Nuclear Information System (INIS)

Konyukhov, V K

2003-01-01

A modification of the quantum-mechanical theory of rotation of polyatomic molecules (binary rotation) is proposed, which is based on the algebra and representations of the SO(4) group and allows the introduction of the concept of parity, as in atomic spectroscopy. It is shown that, if an asymmetric top molecule performing binary rotation finds itself in a spatially inhomogeneous electric field, its rotational levels acquire the additional energy due to the quadrupole moment. The existence of the rotational states of polyatomic molecules that cannot transfer to the free rotation state is predicted. In particular, the spin isomers of a water molecule, which corresponds to such states, can have different absolute values of the adsorption energy due to the quadrupole interaction of the molecule with a surface. The difference in the adsorption energies allows one to explain qualitatively the behaviour of the ortho- and para-molecules of water upon their adsorption on the surface of solids in accordance with experimental data. (laser applications and other topics in quantum electronics)

selective excitation of vibrational modes of polyatomic molecule

Indian Academy of Sciences (India)

Abstract. Mode-selective dynamics of triatomic molecule in the electronic ground state under continuous wave laser pulse is investigated for the discrete vibrational bound states. A non-perturbative approach has been used to analyse the vibrational couplings and dynamics of the molecule. Keywords. Polyatomic molecule ...

Sequential nonadiabatic excitation of large molecules and ions driven by strong laser fields

International Nuclear Information System (INIS)

Markevitch, Alexei N.; Levis, Robert J.; Romanov, Dmitri A.; Smith, Stanley M.; Schlegel, H. Bernhard; Ivanov, Misha Yu.

2004-01-01

Electronic processes leading to dissociative ionization of polyatomic molecules in strong laser fields are investigated experimentally, theoretically, and numerically. Using time-of-flight ion mass spectroscopy, we study the dependence of fragmentation on laser intensity for a series of related molecules and report regular trends in this dependence on the size, symmetry, and electronic structure of a molecule. Based on these data, we develop a model of dissociative ionization of polyatomic molecules in intense laser fields. The model is built on three elements: (i) nonadiabatic population transfer from the ground electronic state to the excited-state manifold via a doorway (charge-transfer) transition; (ii) exponential enhancement of this transition by collective dynamic polarization of all electrons, and (iii) sequential energy deposition in both neutral molecules and resulting molecular ions. The sequential nonadiabatic excitation is accelerated by a counterintuitive increase of a large molecule's polarizability following its ionization. The generic theory of sequential nonadiabatic excitation forms a basis for quantitative description of various nonlinear processes in polyatomic molecules and ions in strong laser fields

Secondary Ion Mass Spectrometry SIMS XI

Science.gov (United States)

Gillen, G.; Lareau, R.; Bennett, J.; Stevie, F.

2003-05-01

This volume contains 252 contributions presented as plenary, invited and contributed poster and oral presentations at the 11th International Conference on Secondary Ion Mass Spectrometry (SIMS XI) held at the Hilton Hotel, Walt Disney World Village, Orlando, Florida, 7 12 September, 1997. The book covers a diverse range of research, reflecting the rapid growth in advanced semiconductor characterization, ultra shallow depth profiling, TOF-SIMS and the new areas in which SIMS techniques are being used, for example in biological sciences and organic surface characterization. Papers are presented under the following categories: Isotopic SIMS Biological SIMS Semiconductor Characterization Techniques and Applications Ultra Shallow Depth Profiling Depth Profiling Fundamental/Modelling and Diffusion Sputter-Induced Topography Fundamentals of Molecular Desorption Organic Materials Practical TOF-SIMS Polyatomic Primary Ions Materials/Surface Analysis Postionization Instrumentation Geological SIMS Imaging Fundamentals of Sputtering Ion Formation and Cluster Formation Quantitative Analysis Environmental/Particle Characterization Related Techniques These proceedings provide an invaluable source of reference for both newcomers to the field and experienced SIMS users.

Design study of primary ion provider for relativistic heavy ion collider electron beam ion source.

Science.gov (United States)

Kondo, K; Kanesue, T; Tamura, J; Okamura, M

2010-02-01

Brookhaven National Laboratory has developed the new preinjector system, electron beam ion source (EBIS) for relativistic heavy ion collider (RHIC) and National Aeronautics and Space Administration Space Radiation Laboratory. Design of primary ion provider is an essential problem since it is required to supply beams with different ion species to multiple users simultaneously. The laser ion source with a defocused laser can provide a low charge state and low emittance ion beam, and is a candidate for the primary ion source for RHIC-EBIS. We show a suitable design with appropriate drift length and solenoid, which helps to keep sufficient total charge number with longer pulse length. The whole design of primary ion source, as well as optics arrangement, solid targets configuration and heating about target, is presented.

Half-space problem of unsteady evaporation and condensation of polyatomic gas

Science.gov (United States)

Inaba, Masashi; Yano, Takeru

2016-11-01

On the basis of polyatomic version of the ellipsoidal-statistical Bhatnager-Gross-Krook (ES-BGK) model, we consider time-periodic gas flows in a semi-infinite expanse of an initially equilibrium polyatomic gas (methanol) bounded by its planar condensed phase. The kinetic boundary condition at the vapor-liquid interface is assumed to be the complete condensation condition with periodically time-varying macroscopic variables (temperature, saturated vapor density and velocity of the interface), and the boundary condition at infinity is the local equilibrium distribution function. The time scale of variation of macroscopic variables is assumed to be much larger than the mean free time of gas molecules, and the variations of those from a reference state are assumed to be sufficiently small. We numerically investigate thus formulated time-dependent half-space problem for the polyatomic version of linearized ES-BGK model equation with the finite difference method for the case of the Strouhal number Sh=0.01 and 0.1. It is shown that the amplitude of the mass flux at the interface is the maximum, and the phase difference in time between the mass flux and v∞ - vℓ (v∞: vapor velocity at infinity, vℓ: velocity of the vapor-liquid interface) is the minimum absolute value, when the phase difference in time between the liquid surface temperature (the saturated vapor density) and the velocity of interface is close to zero.

Ion mobilities in diatomic gases: measurement versus prediction with non-specular scattering models.

Science.gov (United States)

Larriba, Carlos; Hogan, Christopher J

2013-05-16

Ion/electrical mobility measurements of nanoparticles and polyatomic ions are typically linked to particle/ion physical properties through either application of the Stokes-Millikan relationship or comparison to mobilities predicted from polyatomic models, which assume that gas molecules scatter specularly and elastically from rigid structural models. However, there is a discrepancy between these approaches; when specular, elastic scattering models (i.e., elastic-hard-sphere scattering, EHSS) are applied to polyatomic models of nanometer-scale ions with finite-sized impinging gas molecules, predictions are in substantial disagreement with the Stokes-Millikan equation. To rectify this discrepancy, we developed and tested a new approach for mobility calculations using polyatomic models in which non-specular (diffuse) and inelastic gas-molecule scattering is considered. Two distinct semiempirical models of gas-molecule scattering from particle surfaces were considered. In the first, which has been traditionally invoked in the study of aerosol nanoparticles, 91% of collisions are diffuse and thermally accommodating, and 9% are specular and elastic. In the second, all collisions are considered to be diffuse and accommodating, but the average speed of the gas molecules reemitted from a particle surface is 8% lower than the mean thermal speed at the particle temperature. Both scattering models attempt to mimic exchange between translational, vibrational, and rotational modes of energy during collision, as would be expected during collision between a nonmonoatomic gas molecule and a nonfrozen particle surface. The mobility calculation procedure was applied considering both hard-sphere potentials between gas molecules and the atoms within a particle and the long-range ion-induced dipole (polarization) potential. Predictions were compared to previous measurements in air near room temperature of multiply charged poly(ethylene glycol) (PEG) ions, which range in morphology from

Monoatomic and cluster beam effect on ToF-SIMS spectra of self-assembled monolayers on gold

Energy Technology Data Exchange (ETDEWEB)

Tuccitto, N. [Dipartimento di Scienze Chimiche Universita degli Studi di Catania, v.le A. Doria 6, 95125, Catania (Italy)], E-mail: n.tuccitto@unict.it; Torrisi, V.; Delfanti, I.; Licciardello, A. [Dipartimento di Scienze Chimiche Universita degli Studi di Catania, v.le A. Doria 6, 95125, Catania (Italy)

2008-12-15

Self-assembled monolayers represent well-defined systems that is a good model surface to study the effect of primary ion beams used in secondary ion mass spectrometry. The effect of polyatomic primary beams on both aliphatic and aromatic self-assembled monolayers has been studied. In particular, we analysed the variation of the relative secondary ion yield of both substrate metal-cluster (Au{sub n}{sup -}) in comparison with the molecular ions (M{sup -}) and clusters (M{sub x}Au{sub y}{sup -}) by using Bi{sup +}, Bi{sub 3}{sup +}, Bi{sub 5}{sup +} beams. Moreover, the differences in the secondary ion generation efficiency are discussed. The main effect of the cluster beams is related to an increased formation of low-mass fragments and to the enhancement of the substrate related gold-clusters. The results show that, at variance of many other cases, the static SIMS of self-assembled monolayers does not benefit of the use of polyatomic primary ions.

Z-dependent perturbation theory and its application to polyatomic molecules

International Nuclear Information System (INIS)

Galvan, D.H.

1986-01-01

Z-dependent perturbation theory is applied to study the ground states of simple diatomic and triatomic molecules in order to calculate the total third-order energies for these systems. The systems studied are H 2 + , H 2 , H 3 + , HeH +2 , HeH + , and HeH 2 +2 . The total energies are compared with exact energy values, as well as Hartree-Fock values, and the author's results are a considerable improvement over second-order energies for most internuclear distances, and consistently better than Hartree-Fock calculations for all internuclear distances. Compared with variational methods, this method is simpler and more efficient. In order to calculate total energies up to third order, the wave functions necessary will be two-center, one electron or one-center, two-electron wave functions, at most. Hence, the most complicated integrals that have to be performed are three-center, two-electron integrals, and four-center, one-electron integrals, no matter how complex the molecular system. More importantly, the results obtained for the one-electron diatomic molecular ion are directly incorporated into the calculations for polyatomic systems

Model of the dissociative recombination of molecular ions based on the statistical 'phase-space theory'

International Nuclear Information System (INIS)

Foltin, M.; Lukac, P.; Morva, I.; Foltin, V.

2004-01-01

In the paper the statistical 'phase-space theory' extended for chemical reactions and for dissociative recombination of polyatomic ions is applied to the indirect and direct dissociative recombination of diatomic ions with electrons. Numerical calculations are made for molecular neon ion. The good agreement is obtained with experimental results (Authors)

Temperature-controlled depth profiling in polymeric materials using cluster secondary ion mass spectrometry (SIMS)

Energy Technology Data Exchange (ETDEWEB)

Mahoney, Christine M. [National Institute of Standards and Technology, 100 Bureau Drive, Mail Stop 8371, Gaithersburg, MD, 20899 (United States)]. E-mail: christine.mahoney@nist.gov; Fahey, Albert J. [National Institute of Standards and Technology, 100 Bureau Drive, Mail Stop 8371, Gaithersburg, MD, 20899 (United States); Gillen, Greg [National Institute of Standards and Technology, 100 Bureau Drive, Mail Stop 8371, Gaithersburg, MD, 20899 (United States); Xu Chang [National Institute of Standards and Technology, 100 Bureau Drive, Mail Stop 8371, Gaithersburg, MD, 20899 (United States); Batteas, James D. [National Institute of Standards and Technology, 100 Bureau Drive, Mail Stop 8371, Gaithersburg, MD, 20899 (United States)

2006-07-30

Secondary ion mass spectrometry (SIMS) employing an SF{sub 5} {sup +} polyatomic primary ion source was used to depth profile through poly(methylmethacrylate) (PMMA), poly(lactic acid) (PLA) and polystyrene (PS) thin films at a series of temperatures from -125 deg. C to 150 deg. C. It was found that for PMMA, reduced temperature analysis produced depth profiles with increased secondary ion stability and reduced interfacial widths as compared to analysis at ambient temperature. Atomic force microscopy (AFM) images indicated that this improvement in interfacial width may be related to a decrease in sputter-induced topography. Depth profiling at higher temperatures was typically correlated with increased sputter rates. However, the improvements in interfacial widths and overall secondary ion stability were not as prevalent as was observed at low temperature. For PLA, improvements in signal intensities were observed at low temperatures, yet there was no significant change in secondary ion stability, interface widths or sputter rates. High temperatures yielded a significant decrease in secondary ion stability of the resulting profiles. PS films showed rapid degradation of characteristic secondary ion signals under all temperatures examined.

Ion transmission in a linear radiofrequency spectrometer

International Nuclear Information System (INIS)

Gomet, J.-C.

1975-01-01

A linear radiofrequency spectrometer is used for the purpose of experimental determination of the absolute ionization cross sections of various ions obtained by electron impact on polyatomic molecules. The transmission of the apparatus is studied: it does not only depend on the mass resolution of the spectrometer, but also on the nature of ions. It is affected by charge transfers, especially for the parent ions. An empiric way of correction of the apparatus function is given which allows the use at 10 -6 Torr [fr

Discrete Velocity Models for Polyatomic Molecules Without Nonphysical Collision Invariants

Science.gov (United States)

Bernhoff, Niclas

2018-05-01

An important aspect of constructing discrete velocity models (DVMs) for the Boltzmann equation is to obtain the right number of collision invariants. Unlike for the Boltzmann equation, for DVMs there can appear extra collision invariants, so called spurious collision invariants, in plus to the physical ones. A DVM with only physical collision invariants, and hence, without spurious ones, is called normal. The construction of such normal DVMs has been studied a lot in the literature for single species, but also for binary mixtures and recently extensively for multicomponent mixtures. In this paper, we address ways of constructing normal DVMs for polyatomic molecules (here represented by that each molecule has an internal energy, to account for non-translational energies, which can change during collisions), under the assumption that the set of allowed internal energies are finite. We present general algorithms for constructing such models, but we also give concrete examples of such constructions. This approach can also be combined with similar constructions of multicomponent mixtures to obtain multicomponent mixtures with polyatomic molecules, which is also briefly outlined. Then also, chemical reactions can be added.

Accurate and approximate thermal rate constants for polyatomic chemical reactions

International Nuclear Information System (INIS)

Nyman, Gunnar

2007-01-01

In favourable cases it is possible to calculate thermal rate constants for polyatomic reactions to high accuracy from first principles. Here, we discuss the use of flux correlation functions combined with the multi-configurational time-dependent Hartree (MCTDH) approach to efficiently calculate cumulative reaction probabilities and thermal rate constants for polyatomic chemical reactions. Three isotopic variants of the H 2 + CH 3 → CH 4 + H reaction are used to illustrate the theory. There is good agreement with experimental results although the experimental rates generally are larger than the calculated ones, which are believed to be at least as accurate as the experimental rates. Approximations allowing evaluation of the thermal rate constant above 400 K are treated. It is also noted that for the treated reactions, transition state theory (TST) gives accurate rate constants above 500 K. TST theory also gives accurate results for kinetic isotope effects in cases where the mass of the transfered atom is unchanged. Due to neglect of tunnelling, TST however fails below 400 K if the mass of the transferred atom changes between the isotopic reactions

Ion-neutral potential models in atmospheric pressure ion mobility time-of-flight mass spectrometry IM(tof)MS.

Science.gov (United States)

Steiner, Wes E; English, William A; Hill, Herbert H

2006-02-09

The ion mobilities and their respective masses of several classes of amines (primary, secondary, and tertiary) were measured by electrospray ionization atmospheric pressure ion mobility time-of-flight mass spectrometry IM(tof)MS. The experimental data obtained were comparatively analyzed by the one-temperature kinetic theory of Chapman-Enskog. Several theoretical models were used to estimate the collision cross-sections; they include the rigid-sphere, polarization-limit, 12-6-4, and 12-4 potential models. These models were investigated to represent the interaction potentials contained within the collision integral that occurs between the polyatomic ions and the neutral drift gas molecules. The effectiveness of these collision cross-section models on predicting the mobility of these amine ions was explored. Moreover, the effects of drift gas selectivity on the reduced-mass term and in the collision cross-section term was examined. Use of a series of drift gases, namely, helium, neon, argon, nitrogen, and carbon dioxide, made it possible to distinguish between mass effects and polarizability effects. It was found that the modified 12-4 potential that compensates for the center of charge not being at the same location as the centers of mass showed improved agreement over the other collision cross-section models with respect to experimental data.

An On-the-Fly Surface-Hopping Program JADE for Nonadiabatic Molecular Dynamics of Polyatomic Systems: Implementation and Applications.

Science.gov (United States)

Du, Likai; Lan, Zhenggang

2015-04-14

Nonadiabatic dynamics simulations have rapidly become an indispensable tool for understanding ultrafast photochemical processes in complex systems. Here, we present our recently developed on-the-fly nonadiabatic dynamics package, JADE, which allows researchers to perform nonadiabatic excited-state dynamics simulations of polyatomic systems at an all-atomic level. The nonadiabatic dynamics is based on Tully's surface-hopping approach. Currently, several electronic structure methods (CIS, TDHF, TDDFT(RPA/TDA), and ADC(2)) are supported, especially TDDFT, aiming at performing nonadiabatic dynamics on medium- to large-sized molecules. The JADE package has been interfaced with several quantum chemistry codes, including Turbomole, Gaussian, and Gamess (US). To consider environmental effects, the Langevin dynamics was introduced as an easy-to-use scheme into the standard surface-hopping dynamics. The JADE package is mainly written in Fortran for greater numerical performance and Python for flexible interface construction, with the intent of providing open-source, easy-to-use, well-modularized, and intuitive software in the field of simulations of photochemical and photophysical processes. To illustrate the possible applications of the JADE package, we present a few applications of excited-state dynamics for various polyatomic systems, such as the methaniminium cation, fullerene (C20), p-dimethylaminobenzonitrile (DMABN) and its primary amino derivative aminobenzonitrile (ABN), and 10-hydroxybenzo[h]quinoline (10-HBQ).

An RF ion source based primary ion gun for secondary ion mass spectroscopy

International Nuclear Information System (INIS)

Menon, Ranjini; Nabhiraj, P.Y.; Bhandari, R.K.

2011-01-01

In this article we present the design, development and characterization of an RF plasma based ion gun as a primary ion gun for SIMS application. RF ion sources, in particular Inductively Coupled Plasma (ICP) ion sources are superior compared to LMIS and duoplasmtron ion sources since they are filamentless, can produce ions of gaseous elements. At the same time, ICP ion sources offer high angular current density which is an important factor in producing high current in small spot size on the target. These high current microprobes improve the signal to noise ratio by three orders as compared to low current ion sources such as LMIS. In addition, the high current microprobes have higher surface and depth profiling speeds. In this article we describe a simple ion source in its very basic form, two lens optical column and characteristics of microprobe

Molecular dynamics study of kinetic boundary condition at an interface between a polyatomic vapor and its condensed phase

OpenAIRE

Ishiyama, Tatsuya; Yano, Takeru; Fujikawa, Shigeo

2004-01-01

The kinetic boundary condition for the Boltzmann equation at an interface between a polyatomic vapor and its liquid phase is investigated by the numerical method of molecular dynamics, with particular emphasis on the functional form of the evaporation part of the boundary condition, including the evaporation coefficient. The present study is an extension of a previous one for argon [Ishiyama, Yano, and Fujikawa, Phys. Fluids 16, 2899 (2004)] to water and methanol, typical examples of polyatom...

Energetics and Dynamics of Decaying Cluster Ions

Czech Academy of Sciences Publication Activity Database

Gluch, K.; Fedor, J.; Matt-Leubner, S.; Parajuli, R.; Mair, C.; Stamatovic, A.; Echt, O.; Lifshitz, C.; Harvey, J.; Hagelberg, F.; Herman, Zdeněk; Probst, M.; Scheier, P.; Märk, T. D.

2003-01-01

Roč. 24, 1/3 (2003), s. 131-136 ISSN 1434-6060 R&D Projects: GA ČR GA203/00/0632 Grant - others:European Commission(XE) Euroatom Institutional research plan: CEZ:AV0Z4040901 Keywords : surface-induced reactions * kinetics-energy release * polyatomic ions Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.612, year: 2003

One-dimensional treatment of polyatomic crystals by the Laplace transform method

International Nuclear Information System (INIS)

Rosato, A.; Santana, P.H.A.

1976-01-01

The one dimensional periodic potential problem is solved using the Laplace transform method and a condensed expression for the relation E x k and effective mass for one electron in a polyatomic structure is determined. Applications related to the effect of the asymmetry of the potential upon the one dimensional band structure are discussed [pt

Constructing Potential Energy Surfaces for Polyatomic Systems: Recent Progress and New Problems

Directory of Open Access Journals (Sweden)

J. Espinosa-Garcia

2012-01-01

Full Text Available Different methods of constructing potential energy surfaces in polyatomic systems are reviewed, with the emphasis put on fitting, interpolation, and analytical (defined by functional forms approaches, based on quantum chemistry electronic structure calculations. The different approaches are reviewed first, followed by a comparison using the benchmark H + CH4 and the H + NH3 gas-phase hydrogen abstraction reactions. Different kinetics and dynamics properties are analyzed for these reactions and compared with the available experimental data, which permits one to estimate the advantages and disadvantages of each method. Finally, we analyze different problems with increasing difficulty in the potential energy construction: spin-orbit coupling, molecular size, and more complicated reactions with several maxima and minima, which test the soundness and general applicability of each method. We conclude that, although the field of small systems, typically atom-diatom, is mature, there still remains much work to be done in the field of polyatomic systems.

NATO Advanced Research Workshop on Dynamics of Polyatomic Van der Waals Complexes

CERN Document Server

Janda, Kenneth

1991-01-01

This publication is the Proceedings of the NATO Advanced Research Workshop (ARW) on the Dynamics of Polyatomic Van der Waals Molecules held at the Chateau de Bonas, Castera-Verduzan, France, from August 21 through August 26, 1989. Van der Waals complexes provide important model problems for understanding energy transfer and dissipation. These processes can be described in great detail for Van der Waals complexes, and the insight gained from such studies can be applied to more complicated chemical problems that are not amenable to detailed study. The workshop concentrated on the current questions and future prospects for extend­ ing our highly detailed knowledge of triatomic Van der Waals molecule dynamics to polyatomic molecules and clusters (one molecule surrounded by several, or up to sev­ eral tens of, atoms). Both experimental and theoretical studies were discussed, with particular emphasis on the dynamical behavior of dissociation as observed in the dis­ tributions of quantum states of the dissociatio...

The role of the dynamic pressure in stationary heat conduction of a rarefied polyatomic gas

Energy Technology Data Exchange (ETDEWEB)

Arima, Takashi, E-mail: arima@kanagawa-u.ac.jp [Department of Mechanical Engineering, Faculty of Engineering, Kanagawa University, Yokohama 221-8686 (Japan); Barbera, Elvira, E-mail: ebarbera@unime.it [Department of Mathematics and Computer Science, University of Messina, V.le F. D' Alcontres 31, 98166 Messina (Italy); Brini, Francesca, E-mail: francesca.brini@unibo.it [Department of Mathematics, University of Bologna, via Saragozza 8, 40123 Bologna (Italy); Sugiyama, Masaru, E-mail: sugiyama@nitech.ac.jp [Graduate School of Engineering, Nagoya Institute of Technology, Nagoya 466-8555 (Japan)

2014-07-18

The effect of the dynamic pressure (non-equilibrium pressure) on stationary heat conduction in a rarefied polyatomic gas at rest is elucidated by the theory of extended thermodynamics. It is shown that this effect is observable in a non-polytropic gas. Numerical studies are presented for a para-hydrogen gas as a typical example. - Highlights: • Heat transfer problem in polyatomic rarefied gases is studied in different domains. • Non-zero dynamic pressure is predicted in non-polytropic gases. • The effect of dynamic pressure can be observed indirectly in an experiment. • The case of para-hydrogen is analyzed as an example. • Navier–Stokes, Fourier, and Extended Thermodynamics predictions are compared.

Molecular extended thermodynamics of rarefied polyatomic gases and wave velocities for increasing number of moments

Energy Technology Data Exchange (ETDEWEB)

Arima, Takashi, E-mail: tks@stat.nitech.ac.jp [Center for Social Contribution and Collaboration, Nagoya Institute of Technology (Japan); Mentrelli, Andrea, E-mail: andrea.mentrelli@unibo.it [Department of Mathematics and Research Center of Applied Mathematics (CIRAM), University of Bologna (Italy); Ruggeri, Tommaso, E-mail: tommaso.ruggeri@unibo.it [Department of Mathematics and Research Center of Applied Mathematics (CIRAM), University of Bologna (Italy)

2014-06-15

Molecular extended thermodynamics of rarefied polyatomic gases is characterized by two hierarchies of equations for moments of a suitable distribution function in which the internal degrees of freedom of a molecule is taken into account. On the basis of physical relevance the truncation orders of the two hierarchies are proven to be not independent on each other, and the closure procedures based on the maximum entropy principle (MEP) and on the entropy principle (EP) are proven to be equivalent. The characteristic velocities of the emerging hyperbolic system of differential equations are compared to those obtained for monatomic gases and the lower bound estimate for the maximum equilibrium characteristic velocity established for monatomic gases (characterized by only one hierarchy for moments with truncation order of moments N) by Boillat and Ruggeri (1997) (λ{sub (N)}{sup E,max})/(c{sub 0}) ⩾√(6/5 (N−1/2 )),(c{sub 0}=√(5/3 k/m T)) is proven to hold also for rarefied polyatomic gases independently from the degrees of freedom of a molecule. -- Highlights: •Molecular extended thermodynamics of rarefied polyatomic gases is studied. •The relation between two hierarchies of equations for moments is derived. •The equivalence of maximum entropy principle and entropy principle is proven. •The characteristic velocities are compared to those of monatomic gases. •The lower bound of the maximum characteristic velocity is estimated.

Molecular extended thermodynamics of rarefied polyatomic gases and wave velocities for increasing number of moments

International Nuclear Information System (INIS)

Arima, Takashi; Mentrelli, Andrea; Ruggeri, Tommaso

2014-01-01

Molecular extended thermodynamics of rarefied polyatomic gases is characterized by two hierarchies of equations for moments of a suitable distribution function in which the internal degrees of freedom of a molecule is taken into account. On the basis of physical relevance the truncation orders of the two hierarchies are proven to be not independent on each other, and the closure procedures based on the maximum entropy principle (MEP) and on the entropy principle (EP) are proven to be equivalent. The characteristic velocities of the emerging hyperbolic system of differential equations are compared to those obtained for monatomic gases and the lower bound estimate for the maximum equilibrium characteristic velocity established for monatomic gases (characterized by only one hierarchy for moments with truncation order of moments N) by Boillat and Ruggeri (1997) (λ (N) E,max )/(c 0 ) ⩾√(6/5 (N−1/2 )),(c 0 =√(5/3 k/m T)) is proven to hold also for rarefied polyatomic gases independently from the degrees of freedom of a molecule. -- Highlights: •Molecular extended thermodynamics of rarefied polyatomic gases is studied. •The relation between two hierarchies of equations for moments is derived. •The equivalence of maximum entropy principle and entropy principle is proven. •The characteristic velocities are compared to those of monatomic gases. •The lower bound of the maximum characteristic velocity is estimated

Calculations on isotope separation by laser induced photodissociation of polyatomic molecules. Final report

International Nuclear Information System (INIS)

Lamb, W.E. Jr.

1978-11-01

This report describes research on the theory of isotope separation produced by the illumination of polyatomic molecules by intense infrared laser radiation. Newton's equations of motion were integrated for the atoms of the SF 6 molecule including the laser field interaction. The first year's work has been largely dedicated to obtaining a suitable interatomic potential valid for arbitrary configurations of the seven particles. This potential gives the correct symmetry of the molecule, the equilibrium configuration, the frequencies of the six distinct normal modes of oscillation and the correct (or assumed) value of the total potential energy of the molecule. Other conditions can easily be imposed in order to obtain a more refined potential energy function, for example, by making allowance for anharmonicity data. A suitable expression was also obtained for the interaction energy between a laser field and the polyatomic molecule. The electromagnetic field is treated classically, and it would be easily possible to treat the cases of time dependent pulses, frequency modulation and noise

Effect of Skimmer Cone Material on the Spectra of Inductively Coupled Plasma Mass Spectrometry

International Nuclear Information System (INIS)

Amr, M.A.; Zahran, N.F.; Helal, A.I.

2002-01-01

The inductively coupled plasma ion source for mass spectrometry is very sensitive for multielement analysis with detection limits down to sub part per trillion (ppt). Polyatomic ions which could be formed in the mass spectra may interfere in the analysis of some element. Experimental conditions have great influences on the formation of polyatomic ions. The present work demonstrates that the skimmer materials (Au, Ag, Ni, and Cu) are participating in the formation of polyatomic ions, meanwhile the sampler materials have no real effect. The mechanism of formation of polyatomic ions is explained. Heats of formation of polyatomic species formed from the skimmer materials such as: Au X, Ag X, Ni X and Cu X; where X= Ar, O, N, C and H are calculated by Gaussian program (G 94 W)

Polyatomic Trilobite Rydberg Molecules in a Dense Random Gas.

Science.gov (United States)

Luukko, Perttu J J; Rost, Jan-Michael

2017-11-17

Trilobites are exotic giant dimers with enormous dipole moments. They consist of a Rydberg atom and a distant ground-state atom bound together by short-range electron-neutral attraction. We show that highly polar, polyatomic trilobite states unexpectedly persist and thrive in a dense ultracold gas of randomly positioned atoms. This is caused by perturbation-induced quantum scarring and the localization of electron density on randomly occurring atom clusters. At certain densities these states also mix with an s state, overcoming selection rules that hinder the photoassociation of ordinary trilobites.

Experimental determination of primary and intermediate ions in a flame front

Energy Technology Data Exchange (ETDEWEB)

Fialkov, A.B.; Fialkov, B.S.

1988-10-01

A procedure is described for determining the primary and intermediate ions in the front of a flame rarefied using mass spectrometry. By using the method proposed here, primary CHO(+) and CHO2(+) ions as well as a series of short-lived intermediate ions have been identified. The possibility of using this method for obtaining quantitative data on the characteristic lifetimes of ions and rate constants of ion-molecular reactions in flames is demonstrated. 16 references.

Kinetic theory of two-temperature polyatomic plasmas

Science.gov (United States)

Orlac'h, Jean-Maxime; Giovangigli, Vincent; Novikova, Tatiana; Roca i Cabarrocas, Pere

2018-03-01

We investigate the kinetic theory of two-temperature plasmas for reactive polyatomic gas mixtures. The Knudsen number is taken proportional to the square root of the mass ratio between electrons and heavy-species, and thermal non-equilibrium between electrons and heavy species is allowed. The kinetic non-equilibrium framework also requires a weak coupling between electrons and internal energy modes of heavy species. The zeroth-order and first-order fluid equations are derived by using a generalized Chapman-Enskog method. Expressions for transport fluxes are obtained in terms of macroscopic variable gradients and the corresponding transport coefficients are expressed as bracket products of species perturbed distribution functions. The theory derived in this paper provides a consistent fluid model for non-thermal multicomponent plasmas.

Vibration-rotation band intensities in the IR spectra of polyatomic molecules

International Nuclear Information System (INIS)

El'kin, M.D.; Kosterina, E.K.; Berezin

1995-01-01

Using the curvilinear vibrational coordinates for a nuclear subsystem, expressions for the effective dipole-moment operators are derived in order to analyze the vibrational-rotational transitions in the IR spectra of polyatomic rigid molecules. The explicit expressions obtained for the intensities of hot bands allow one to estimate the influence of the vibration-rotation interaction within the framework of the adopted molecular-vibration model. The suggested method is shown to be suitable for Raman spectra analysis. 12 refs

Vacuum ultraviolet photoionization and photodissociation of polyatomic molecules and radicals

Energy Technology Data Exchange (ETDEWEB)

Ng, C.Y. [Iowa State Univ., Ames (United States)

1993-12-01

In the past decade, tremendous progress has been made in understanding the photodissociation (PD) dynamics of triatomic molecules. However, the PD study of radicals, especially polyatomic radicals, has remained essentially an unexplored research area. Detailed state-to-state PD cross sections for radicals in the UV and VUV provide challenges not only for dynamical calculations, but also for ab initio quantum chemical studies. The authors have developed a laser based pump-probe apparatus for the measurement of absolute PD cross sections for CH{sub 3}S and HS is summarized.

Silicon nanodot formation and self-ordering under bombardment with heavy Bi3 ions

International Nuclear Information System (INIS)

Boettger, Roman; Heinig, Karl-Heinz; Bischoff, Lothar; Liedke, Bartosz; Huebner, Rene; Pilz, Wolfgang

2013-01-01

Si nanodots of high density and hexagonal short-range order are observed upon normal-incidence bombardment of hot, crystalline Si with Bi 3 + ions having a kinetic energy of a few tens of keV. The heights of nanodots are comparable to their widths of ∝20 nm. The implanted Bi accumulates in tiny Bi nanocrystals in a thin Si top layer which is amorphous due to implantation damage. Light and heavy ions up to Xe cause smoothing of surfaces, but Bi 3 + ions considered here have a much higher mass. Atomistic simulations prove that each Bi 3 + impact deposits an extremely high energy density resulting in a several nanometer large melt pool, which resolidifies within a few hundreds of picoseconds. Experiments confirm that dot patterns form only if the deposited energy density exceeds the threshold for melting. Comparing monatomic and polyatomic Bi ion irradiation, Bi-Si phase separation and preferential ion erosion are ruled out as driving forces of pattern formation. A model based on capillary forces in the melt pool explains the pattern formation consistently. High-density Si nanodots are formed by polyatomic Bi ion irradiation of hot Si surfaces. Each impact causes local transient melt pools smaller than the dots. Hexagonally ordered patterns evolve by self-organization driven by repeated ion-induced melting of tiny volumes. Homogeneously distributed Bi nanocrystals are found in the a-Si film. These nanocrystals are related to particularities of the Si-Bi phase diagram. (copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Dissociative recombination of small molecular ions

International Nuclear Information System (INIS)

Mul, P.M.

1981-01-01

In this thesis an analysis is given of merged electron-ion beam experiment and work on dissociative recombination of molecular ions and electrons is described. Chapter II covers a brief introduction of the theory of dissociative recombination. In chapter III, a description is given of the merged electron-ion beam experiment and a method is described which allows the determination of the mean angle between the electron and ion trajectories in a merged electron-ion beam experiment. In chapter IV a paper on the three dominant atmospheric diatomic ions NO + , O 2 + and N 2 + is presented and in chapter V the dissociative recombination for N 2 H + and N 2 D + is discussed. In chapter VI two papers on the polyatomic ions of the carbon-containing molecular ions are presented, and in chapter VII a letter with some results of the work presented in more detail in the chapters IV, V and VI is presented. The magnitude and the energy dependence of the cross-section measured by the merged beam technique and by other techniques is compared and discussed. (Auth.)

Ion transport by the amphibian primary ureter

DEFF Research Database (Denmark)

Møbjerg, Nadja

2008-01-01

putative ion transport mechanisms in the primary ureter of the freshwater amphibian Ambystoma mexicanum (axolotl). Primary ureters isolated from axolotl larvae were perfused in vitro and single cells were impaled across the basal cell membrane with glass microelectrodes. In 42 cells the membrane potential......+] steps from 3 to 20 mmol/l and a hyperpolarization of Vm upon lowering [Na+] from 102 to 2 mmol/l, indicating the presence of luminal K+ and Na+ conductances. This study provides the first functional data on the vertebrate primary ureter. The data show that the primary ureter of axolotl larvae...

Static secondary ion mass spectrometry for organic and inorganic molecular analysis in solids

International Nuclear Information System (INIS)

Ham, Rita van; Vaeck, Luc van; Adriaens, Annemie; Adams, Freddy

2003-01-01

The use of mass spectra in secondary ion mass spectrometry (S-SIMS) to characterise the molecular composition of inorganic and organic analytes at the surface of solid samples is investigated. Methodological aspects such as mass resolution, mass accuracy, precision and accuracy of isotope abundance measurements, influence of electron flooding and sample morphology are addressed to assess the possibilities and limitations that the methodology can offer to support the structural assignment of the detected ions. The in-sample and between-sample reproducibility of relative peak intensities under optimised conditions is within 10%, but experimental conditions and local hydration, oxidation or contamination can drastically affect the mass spectra. As a result, the use of fingerprinting for identification becomes compromised. Therefore, the preferred way of interpretation becomes the deductive structural approach, based on the use of the empirical desorption-ionisation model. This approach is shown to allow the molecular composition of inorganic and organic components at the surface of solids to be characterised. Examples of inorganic speciation and identification of organic additives with unknown composition in inorganic salt mixtures are given. The methodology is discussed in terms of foreseen developments with respect to the use of polyatomic primary ions

Secondary electron emission of thin carbon foils under the impact of hydrogen atoms, ions and molecular ions, under energies within the MeV range

International Nuclear Information System (INIS)

Vidovic, Z.

1997-06-01

This work focuses on the study of the emission statistics of secondary electrons from thin carbon foils bombarded with H 0 , H 2 + and H 3 + projectiles in the 0.25-2.2 MeV energy range. The phenomenon of secondary electron emission from solids under the impact of swift ions is mainly due to inelastic interactions with target electrons. The phenomenological and theoretical descriptions, as well as a summary of the main theoretical models are the subject of the first chapter. The experimental set-up used to measure event by event the electron emission of the two faces of a thin carbon foil traversed by an energetic projectile is described in the chapter two. In this chapter are also presented the method and algorithms used to process experimental spectra in order to obtain the statistical distribution of the emitted electrons. Chapter three presents the measurements of secondary electron emission induced by H atoms passing through thin carbon foils. The secondary electron yields are studied in correlation with the emergent projectile charge state. We show the peculiar role of the projectile electron, whether it remains or not bound to the incident proton. The fourth chapter is dedicated to the secondary electron emission induced by H 2 + and H 3 + polyatomic ions. The results are interpreted in terms of collective effects in the interactions of these ions with solids. The role of the proximity of the protons, molecular ion fragments, upon the amplitude of these collective effects is evidenced from the study of the statistics of forward emission. These experiences allowed us to shed light on various aspects of atom and polyatomic ion inter-actions with solid surfaces. (author)

Selective excitation of a vibrational level within the electronic ground state of a polyatomic molecule with ultra pulses

CSIR Research Space (South Africa)

de Clercq, L

2010-09-01

Full Text Available Coherent control of the upper vibrational level populations in the electronic ground state of a polyatomic molecule was simulated. Results indicate that selective excitation of a specific upper state level is possible...

The second-order description of rotational non-equilibrium effects in polyatomic gases

Science.gov (United States)

Myong, Rho Shin

2017-11-01

The conventional description of gases is based on the physical laws of conservation (mass, momentum, and energy) in conjunction with the first-order constitutive laws, the two-century old so-called Navier-Stokes-Fourier (NSF) equation based on a critical assumption made by Stokes in 1845 that the bulk viscosity vanishes. While the Stokes' assumption is certainly legitimate in the case of dilute monatomic gases, ever increasing evidences, however, now indicate that such is not the case, in particular, in the case of polyatomic gases-like nitrogen and carbon dioxide-far-from local thermal equilibrium. It should be noted that, from room temperature acoustic attenuation data, the bulk viscosity for carbon dioxide is three orders of magnitude larger than its shear viscosity. In this study, this fundamental issue in compressible gas dynamics is revisited and the second-order constitutive laws are derived by starting from the Boltzmann-Curtiss kinetic equation. Then the topology of the second-order nonlinear coupled constitutive relations in phase space is investigated. Finally, the shock-vortex interaction problem where the strong interaction of two important thermal (translational and rotational) non-equilibrium phenomena occurs is considered in order to highlight the rotational non-equilibrium effects in polyatomic gases. This work was supported by the National Research Foundation of South Korea (NRF 2017-R1A2B2-007634).

Damage functions generation for polyatomic materials irradiated in test reactors

International Nuclear Information System (INIS)

Alberman, A.; Lesueur, D.

1987-06-01

Neutron exposure parameters in polyatomic materials is of great importance for fusion technology programs. The COMPOSI code computes the number of displaced atoms of sub-lattice ''j'' induced by one atom of sub-lattice ''i'' either by direct collision or through intermediate knocked atom. The code uses Lindhard equations; it is solved by iterative process. The atomic displacements cross-sections, as a function of neutron energy are derived by folding previous results with ''i'' type PKA. Moreover the COMPOSI code may include recoils from charged particles e.g.: Alpha + Triton from Li 6 capture in Li Al 0 2 . These responses in various spectra are discussed [fr

Bayesian optimization for constructing potential energy surfaces of polyatomic molecules with the smallest number of ab initio calculations

Science.gov (United States)

Vargas-Hernandez, Rodrigo A.; v Krems, Roman

2017-04-01

We examine the application of kernel methods of machine learning for constructing potential energy surfaces (PES) of polyatomic molecules. In particular, we illustrate the application of Bayesian optimization with Gaussian processes as an efficient method for sampling the configuration space of polyatomic molecules. Bayesian optimization relies on two key components: a prior over an objective function and a mechanism for sampling the configuration space. We use Gaussian processes to model the objective function and various acquisition functions commonly used in computer science to quantify the accuracy of sampling. The PES is obtained through an iterative process of adding ab initio points at the locations maximizing the acquisition function and re-trainig the Gaussian process with new points added. We sample different PESs with one or many acquisition functions and show how the acquisition functions affect the construction of the PESs.

Dissociative recombination and excitation in ion storage rings

International Nuclear Information System (INIS)

Larsson, Mats

2000-01-01

The application of ion storage rings to the study of electron-molecular ion interaction has led to an experimental breakthrough. The development since the first experiments with molecular ions in storage rings about seven years ago, which in themselves represented a big leap forward, has been striking, and was impossible to envision at the outset. The development has been driven by advances in accelerator physics, detector technology, challenging applications in astrophysics and atmospheric physics, and by a close interplay with theory. Despite the remarkable progress, many important questions remain unanswered. For example, even for someone with a good knowledge of molecular physics it may come as a surprise that it is far from understood how the simplest polyatomic molecule H 3 + recombines with electrons, and it remains an experimental controversy at what rate it recombines

Molecular-beam studies of primary photochemical processes

Energy Technology Data Exchange (ETDEWEB)

Lee, Y.T.

1982-12-01

Application of the method of molecular-beam photofragmentation translational spectroscopy to the investigation of primary photochemical processes of polyatomic molecules is described. Examples will be given to illustrate how information concerning the energetics, dynamics, and mechanism of dissociation processes can be obtained from the precise measurements of angular and velocity distributions of products in an experiment in which a well-defined beam of molecules is crossed with a laser.

Molecular-beam studies of primary photochemical processes

International Nuclear Information System (INIS)

Lee, Y.T.

1982-12-01

Application of the method of molecular-beam photofragmentation translational spectroscopy to the investigation of primary photochemical processes of polyatomic molecules is described. Examples will be given to illustrate how information concerning the energetics, dynamics, and mechanism of dissociation processes can be obtained from the precise measurements of angular and velocity distributions of products in an experiment in which a well-defined beam of molecules is crossed with a laser

The primary ion source for construction and optimization of operation parameters

International Nuclear Information System (INIS)

Synowiecki, A.; Gazda, E.

1986-01-01

The construction of primary ion source for SIMS has been presented. The influence of individual operation parameters on the properties of ion source has been investigated. Optimization of these parameters has allowed to appreciate usefulness of the ion source for SIMS study. 14 refs., 8 figs., 2 tabs. (author)

Energy distribution in selected fragment vibrations in dissociation processes in polyatomic molecules

International Nuclear Information System (INIS)

Band, Y.B.; Freed, K.F.

1977-01-01

The full quantum theory of dissociation processes in polyatomic molecules is converted to a form enabling the isolation of a selected fragment vibration. This form enables the easy evaluation of the probability distribution for energy partitioning between this vibration and all other degrees of freedom that results from the sudden Franck--Condon rearrangement process. The resultant Franck--Condon factors involve the square of the one-dimensional overlap integral between effective oscillator wavefunctions and the wavefunctions for the selected fragment vibration, a form that resembles the simple golden rule model for polyatomic dissociation and reaction processes. The full quantum theory can, therefore, be viewed as providing both a rigorous justification for certain generic aspects of the simple golden rule model as well as providing a number of important generalizations thereof. Some of these involve dealing with initial bound state vibrational excitation, explicit molecule, fragment and energy dependence of the effective oscillator, and the incorporation of all isotopic dependence. In certain limiting situations the full quantum theory yields simple, readily usable analytic expressions for the frequency and equilibrium position of the effective oscillator. Specific applications are presented for the direct photodissociation of HCN, DCN, and CO 2 where comparisons between the full theory and the simple golden rule are presented. We also discuss the generalizations of the previous theory to enable the incorporation of effects of distortion in the normal modes as a function of the reaction coordinate on the repulsive potential energy surface

Hydrodynamic limits of kinetic equations for polyatomic and reactive gases

Directory of Open Access Journals (Sweden)

Bisi M.

2017-03-01

Full Text Available Starting from a kinetic BGK-model for a rarefied polyatomic gas, based on a molecular structure of discrete internal energy levels, an asymptotic Chapman-Enskog procedure is developed in the asymptotic continuum limit in order to derive consistent fluid-dynamic equations for macroscopic fields at Navier-Stokes level. In this way, the model allows to treat the gas as a mixture of mono-atomic species. Explicit expressions are given not only for dynamical pressure, but also for shear stress, diffusion velocities, and heat flux. The analysis is shown to deal properly also with a mixture of reactive gases, endowed for simplicity with translational degrees of freedom only, in which frame analogous results can be achieved.

Comparison of biomolecule desorption yields for low and high energy primary ions

International Nuclear Information System (INIS)

Kamensky, I.; Hakansson, P.; Sundqvist, B.; McNeal, C.J.; MacFarlane, R.

1982-01-01

Ion induced desorption yields of molecular ions from samples of cesium iodide, glycylglycine, ergosterol, bleomycin and a trinucleoside diphosphate have been studied using primary beams of 54 MeV 63 Cu 9+ and 3 keV 133 Cs + . Mass analysis was performed with a time-of-flight technique. Each sample was studied with the same spectrometer for both low and high energy primary ions and without opening of the vacuum chamber in between the measurements. The results show that fast heavy ions give larger yields for all samples studied and that the yield ratios for high to low energy desorption increase with the mass of the sample molecule. (orig.)

A new crossed molecular beam apparatus using time-sliced ion velocity imaging technique

International Nuclear Information System (INIS)

Wu Guorong; Zhang Weiqing; Pan Huilin; Shuai Quan; Jiang Bo; Dai Dongxu; Yang Xueming

2008-01-01

A new crossed molecular beam apparatus has been constructed for investigating polyatomic chemical reactions using the time-sliced ion velocity map imaging technique. A unique design is adopted for one of the two beam sources and allows us to set up the molecular beam source either horizontally or vertically. This can be conveniently used to produce versatile atomic or radical beams from photodissociation and as well as electric discharge. Intensive H-atom beam source with high speed ratio was produced by photodissociation of the HI molecule and was reacted with the CD 4 molecule. Vibrational-state resolved HD product distribution was measured by detecting the CD 3 product. Preliminary results were also reported on the F+SiH 4 reaction using the discharged F atom beam. These results demonstrate that this new instrument is a powerful tool for investigating chemical dynamics of polyatomic reactions.

A brief introduction to molecular orbital theory of simple polyatomic molecules for undergraduate chemistry students

Directory of Open Access Journals (Sweden)

Ione M. Baibich

2012-01-01

Full Text Available A simple, four-step method for better introducing undergraduate students to the fundamentals of molecular orbital (MO theory of the polyatomic molecules H2O, NH3, BH3 and SiH4 using group theory is reported. These molecules serve to illustrate the concept of ligand group orbitals (LGOs and subsequent construction of MO energy diagrams on the basis of molecular symmetry requirements.

Electron collision data for polyatomic molecules in plasma processing and environmental processes

International Nuclear Information System (INIS)

Tanaka, H.; Kitajima, M.; Cho, H.

2002-01-01

The experimental studies for electron-polyatomic molecule collision are reviewed in connection with the plasma processing and environmental issues. Recent developments in electron scattering experiments on the differential cross section measurements for various processes such as elastic scattering, vibrational, and electronic excitations are summarized from high to low energy regions (1-100 eV). The need for cross-section data for a broad variety of molecular species is also discussed because there is an urgent need to develop an international program to provide the scientific and technological communities with authoritative cross sections for electron-molecule interactions

Reduction of plyatomic ion interferences in indictively coupled plasma mass spectrometry with cryogenic desolvation

Energy Technology Data Exchange (ETDEWEB)

Alves, Luis C. [Iowa State Univ., Ames, IA (United States)

1993-09-01

A desolvation scheme for introducing aqueous and organic samples into an argon inductively coupled plasma is described; the aerosol generated by nebulizer is heated (+140 C) and cooled (-80 C) repeatedly, and the dried aerosol is then injected into the mass spectrometer. Polyatomic ions are greatly suppressed. This scheme was validated with analysis of seawater and urine reference samples. Finally, the removal of organic solvents by cryogenic desolvation was studied.

Sputtering of silicon and glass substrates with polyatomic molecular ion beams generated from ionic liquids

Energy Technology Data Exchange (ETDEWEB)

Takeuchi, Mitsuaki, E-mail: m-takeuchi@kuee.kyoto-u.ac.jp; Hoshide, Yuki; Ryuto, Hiromichi; Takaoka, Gikan H. [Photonics and Electronics Science and Engineering Center, Kyoto University, Kyotodaigaku-Katsura, Nishikyo-ku, Kyoto 615-8510 (Japan)

2016-03-15

The effect of irradiating 1-ethyl-3-methylimidazolium positive (EMIM{sup +}) or dicyanamide negative (DCA{sup –}) ion beams using an ionic liquid ion source was characterized concerning its sputtering properties for single crystalline Si(100) and nonalkaline borosilicate glass substrates. The irradiation of the DCA{sup –} ion beam onto the Si substrate at an acceleration voltage of 4 and 6 kV exhibited detectable sputtered depths greater than a couple of nanometers with an ion fluence of only 1 × 10{sup 15} ions/cm{sup 2}, while the EMIM{sup +} ion beam produced the same depths with an ion fluence 5 × 10{sup 15} ions/cm{sup 2}. The irradiation of a 4 kV DCA{sup –} ion beam at a fluence of 1 × 10{sup 16} ions/cm{sup 2} also yields large etching depths in Si substrates, corresponding to a sputtering yield of Si/DCA{sup – }= 10, and exhibits a smoothed surface roughness of 0.05 nm. The interaction between DCA{sup –} and Si likely causes a chemical reaction that relates to the high sputtering yield and forms an amorphous C-N capping layer that results in the smooth surface. Moreover, sputtering damage by the DCA{sup –} irradiation, which was estimated by Rutherford backscattering spectroscopy with the channeling technique, was minimal compared to Ar{sup +} irradiation at the same condition. In contrast, the glass substrates exhibited no apparent change in surface roughnesses when sputtered by the DCA{sup –} irradiation compared to the unirradiated glass substrates.

Towards efficient ab initio calculations of electron scattering by polyatomic molecules: II. Efficient evaluation of exchange integrals

Czech Academy of Sciences Publication Activity Database

Čársky, Petr

2010-01-01

Roč. 43, č. 17 (2010), s. 175204 ISSN 0953-4075 R&D Projects: GA MŠk OC09079; GA MŠk(CZ) OC10046; GA ČR GA202/08/0631 Institutional research plan: CEZ:AV0Z40400503 Keywords : ab initio calculations * electron scattering * polyatomic molecules Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.902, year: 2010

Interference effects during the reradiation of ultrashort electromagnetic pulses by polyatomic systems

Energy Technology Data Exchange (ETDEWEB)

Makarov, D. N.; Matveev, V. I., E-mail: mezon98@mail.ru [Lomonosov Northern (Arctic) Federal University (Russian Federation)

2013-11-15

A theory of the reradiation of ultrashort electromagnetic pulses by arbitrary polyatomic systems of isolated complex atoms has been developed. The technique used allows the spatial inhomogeneity of the field of an ultrashort pulse and photon momenta in reradiation processes to be accurately taken into account. The angular distributions of the reradiation spectra have been obtained for an arbitrary number of atoms in the system. The processes of interference between the photon emission amplitudes are shown to give rise to characteristic “diffraction” maxima. We consider one-dimensional, two-dimensional, and three-dimensional rectangular lattices as examples as well as planar and cylindrical structures as models of planar nanosystems and nanotubes.

Focused ion beam (FIB) milling of electrically insulating specimens using simultaneous primary electron and ion beam irradiation

International Nuclear Information System (INIS)

Stokes, D J; Vystavel, T; Morrissey, F

2007-01-01

There is currently great interest in combining focused ion beam (FIB) and scanning electron microscopy technologies for advanced studies of polymeric materials and biological microstructures, as well as for sophisticated nanoscale fabrication and prototyping. Irradiation of electrically insulating materials with a positive ion beam in high vacuum can lead to the accumulation of charge, causing deflection of the ion beam. The resultant image drift has significant consequences upon the accuracy and quality of FIB milling, imaging and chemical vapour deposition. A method is described for suppressing ion beam drift using a defocused, low-energy primary electron beam, leading to the derivation of a mathematical expression to correlate the ion and electron beam energies and currents with other parameters required for electrically stabilizing these challenging materials

Studies of electron collisions with polyatomic molecules using distributed-memory parallel computers

International Nuclear Information System (INIS)

Winstead, C.; Hipes, P.G.; Lima, M.A.P.; McKoy, V.

1991-01-01

Elastic electron scattering cross sections from 5--30 eV are reported for the molecules C 2 H 4 , C 2 H 6 , C 3 H 8 , Si 2 H 6 , and GeH 4 , obtained using an implementation of the Schwinger multichannel method for distributed-memory parallel computer architectures. These results, obtained within the static-exchange approximation, are in generally good agreement with the available experimental data. These calculations demonstrate the potential of highly parallel computation in the study of collisions between low-energy electrons and polyatomic gases. The computational methodology discussed is also directly applicable to the calculation of elastic cross sections at higher levels of approximation (target polarization) and of electronic excitation cross sections

Ion association in concentrated NaCl brines from ambient to supercritical conditions: results from classical molecular dynamics simulations

Directory of Open Access Journals (Sweden)

Collings Matthew D

2002-11-01

Full Text Available Highly concentrated NaCl brines are important geothermal fluids; chloride complexation of metals in such brines increases the solubility of minerals and plays a fundamental role in the genesis of hydrothermal ore deposits. There is experimental evidence that the molecular nature of the NaCl–water system changes over the pressure–temperature range of the Earth's crust. A transition of concentrated NaCl–H2O brines to a "hydrous molten salt" at high P and T has been argued to stabilize an aqueous fluid phase in the deep crust. In this work, we have done molecular dynamic simulations using classical potentials to determine the nature of concentrated (0.5–16 m NaCl–water mixtures under ambient (25°C, 1 bar, hydrothermal (325°C, 1 kbar and deep crustal (625°C, 15 kbar conditions. We used the well-established SPCE model for water together with the Smith and Dang Lennard-Jones potentials for the ions (J. Chem. Phys., 1994, 100, 3757. With increasing temperature at 1 kbar, the dielectric constant of water decreases to give extensive ion-association and the formation of polyatomic (NanClmn-m clusters in addition to simple NaCl ion pairs. Large polyatomic (NanClmn-m clusters resemble what would be expected in a hydrous NaCl melt in which water and NaCl were completely miscible. Although ion association decreases with pressure, temperatures of 625°C are not enough to overcome pressures of 15 kbar; consequently, there is still enhanced Na–Cl association in brines under deep crustal conditions.

CSR: a new tool for storage and cooling of keV ion beams

Energy Technology Data Exchange (ETDEWEB)

Froese, Michael; Blaum, Klaus; Crespo Lopez-Urrutia, Jose; Fellenberger, Florian; Grieser, Manfred; Kaiser, Dirk; Lange, Michael; Laux, Felix; Menk, Sebastian; Orlov, Dmitry A.; Repnow, Roland; Schroeter, Claus D.; Schwalm, Dirk; Sieber, Thomas; Ullrich, Joachim; Varju, Jozef; Hahn, Robert von; Wolf, Andreas [Max-Planck-Institut fuer Kernphysik, Heidelberg (Germany); Heber, Oded; Rappaport, Michael; Toker, Jonathan; Zajfman, Daniel [Weizman Institute of Science, Rehovot (Israel)

2009-07-01

An electrostatic Cryogenic Storage Ring (CSR) is currently being built in Heidelberg, Germany. The current status and final design of this ring, with a focus on the optimized 2 K chamber cooling, precision chamber suspension, and pumping down to extremely low pressures via cryogenic vacuum chambers will be presented. This ring will allow long storage times of highly charged ion and polyatomic molecular beams with energies in the range of keV per charge-state. Combining the long storage times with vacuum chamber temperatures approaching 2 K, infrared-active molecular ions will be radiatively cooled to their rotational ground states. Many aspects of this concept were experimentally tested with a cryogenic trap for fast ion beams (CTF), which has already demonstrated the storage of fast ion beams in a large cryogenic device. An upcoming test will investigate the effect of pre-baking the cryogenic vacuum chambers to 600 K on the cryogenic vacuum and the ion beam storage.

A simple alkali-metal and noble gas ion source for SIMS equipments with mass separation of the primary ions

International Nuclear Information System (INIS)

Duesterhoeft, H.; Pippig, R.

1986-01-01

An alkali-metal ion source working without a store of alkali-metals is described. The alkali-metal ions are produced by evaporation of alkali salts and ionization in a low-voltage arc discharge stabilized with a noble gas plasma or in the case of small alkali-metal ion currents on the base of the well known thermic ionization at a hot tungsten wire. The source is very simple in construction and produces a stable ion current of 0.3 μA for more than 100 h. It is possible to change the ion species in a short time. This source is applicable to all SIMS equipments using mass separation for primary ions. (author)

An exact variational method to calculate rovibrational spectra of polyatomic molecules with large amplitude motion

Energy Technology Data Exchange (ETDEWEB)

Yu, Hua-Gen, E-mail: hgy@bnl.gov [Division of Chemistry, Department of Energy and Photon Sciences, Brookhaven National Laboratory, Upton, New York 11973-5000 (United States)

2016-08-28

We report a new full-dimensional variational algorithm to calculate rovibrational spectra of polyatomic molecules using an exact quantum mechanical Hamiltonian. The rovibrational Hamiltonian of system is derived in a set of orthogonal polyspherical coordinates in the body-fixed frame. It is expressed in an explicitly Hermitian form. The Hamiltonian has a universal formulation regardless of the choice of orthogonal polyspherical coordinates and the number of atoms in molecule, which is suitable for developing a general program to study the spectra of many polyatomic systems. An efficient coupled-state approach is also proposed to solve the eigenvalue problem of the Hamiltonian using a multi-layer Lanczos iterative diagonalization approach via a set of direct product basis set in three coordinate groups: radial coordinates, angular variables, and overall rotational angles. A simple set of symmetric top rotational functions is used for the overall rotation whereas a potential-optimized discrete variable representation method is employed in radial coordinates. A set of contracted vibrationally diabatic basis functions is adopted in internal angular variables. Those diabatic functions are first computed using a neural network iterative diagonalization method based on a reduced-dimension Hamiltonian but only once. The final rovibrational energies are computed using a modified Lanczos method for a given total angular momentum J, which is usually fast. Two numerical applications to CH{sub 4} and H{sub 2}CO are given, together with a comparison with previous results.

Computer system for structure recognition of polyatomic molecules by i. r. , n. m. r. , u. v. and m. s. methods

Energy Technology Data Exchange (ETDEWEB)

Gribov, L A; Elyashberg, M E; Serov, V V [USSR Academy of Sciences, Moscow (USSR). V.I. Vernadsky Institute of Geochemistry and Analytical Chemistry

1977-12-15

A system of algorithms and programs for the recognition of the structures of polyatomic molecules by means of i.r., n.m.r., u.v. and mass spectra is described. Examples of structures identified are cited. The results are promising and suggest that the system could be used for the identification of complex organic compounds.

Rational extended thermodynamics of a rarefied polyatomic gas with molecular relaxation processes

Science.gov (United States)

Arima, Takashi; Ruggeri, Tommaso; Sugiyama, Masaru

2017-10-01

We present a more refined version of rational extended thermodynamics of rarefied polyatomic gases in which molecular rotational and vibrational relaxation processes are treated individually. In this case, we need a triple hierarchy of the moment system and the system of balance equations is closed via the maximum entropy principle. Three different types of the production terms in the system, which are suggested by a generalized BGK-type collision term in the Boltzmann equation, are adopted. In particular, the rational extended thermodynamic theory with seven independent fields (ET7) is analyzed in detail. Finally, the dispersion relation of ultrasonic wave derived from the ET7 theory is confirmed by the experimental data for CO2, Cl2, and Br2 gases.

3D molecular imaging SIMS

Energy Technology Data Exchange (ETDEWEB)

Gillen, Greg [Surface and Microanalysis Science Division, National Institute of Standards and Technology, Gaithersburg, MD 20899-8371 (United States)]. E-mail: Greg.gillen@nist.gov; Fahey, Albert [Surface and Microanalysis Science Division, National Institute of Standards and Technology, Gaithersburg, MD 20899-8371 (United States); Wagner, Matt [Surface and Microanalysis Science Division, National Institute of Standards and Technology, Gaithersburg, MD 20899-8371 (United States); Mahoney, Christine [Surface and Microanalysis Science Division, National Institute of Standards and Technology, Gaithersburg, MD 20899-8371 (United States)

2006-07-30

Thin monolayer and bilayer films of spin cast poly(methyl methacrylate) (PMMA), poly(2-hydroxyethyl methacrylate) (PHEMA), poly(lactic) acid (PLA) and PLA doped with several pharmaceuticals have been analyzed by dynamic SIMS using SF{sub 5} {sup +} polyatomic primary ion bombardment. Each of these systems exhibited minimal primary beam-induced degradation under cluster ion bombardment allowing molecular depth profiles to be obtained through the film. By combing secondary ion imaging with depth profiling, three-dimensional molecular image depth profiles have been obtained from these systems. In another approach, bevel cross-sections are cut in the samples with the SF{sub 5} {sup +} primary ion beam to produce a laterally magnified cross-section of the sample that does not contain the beam-induced damage that would be induced by conventional focussed ion beam (FIB) cross-sectioning. The bevel surface can then be examined using cluster SIMS imaging or other appropriate microanalysis technique.

Solution of the Boltzmann equation for primary light ions and the transport of their fragments

Directory of Open Access Journals (Sweden)

J. Kempe

2010-10-01

Full Text Available The Boltzmann equation for the transport of pencil beams of light ions in semi-infinite uniform media has been calculated. The equation is solved for the practically important generalized 3D case of Gaussian incident primary light ion beams of arbitrary mean square radius, mean square angular spread, and covariance. The transport of the associated fragments in three dimensions is derived based on the known transport of the primary particles, taking the mean square angular spread of their production processes, as well as their energy loss and multiple scattering, into account. The analytical pencil and broad beam depth fluence and absorbed dose distributions are accurately expressed using recently derived analytical energy and range formulas. The contributions from low and high linear energy transfer (LET dose components were separately identified using analytical expressions. The analytical results are compared with SHIELD-HIT Monte Carlo (MC calculations and found to be in very good agreement. The pencil beam fluence and absorbed dose distributions of the primary particles are mainly influenced by an exponential loss of the primary ions combined with an increasing lateral spread due to multiple scattering and energy loss with increasing penetration depth. The associated fluence of heavy fragments is concentrated at small radii and so is the LET and absorbed dose distribution. Their transport is also characterized by the buildup of a slowing down spectrum which is quite similar to that of the primaries but with a wider energy and angular spread at increasing penetration depths. The range of the fragments is shorter or longer depending on their nuclear mass to charge ratio relative to that of the primary ions. The absorbed dose of the heavier fragments is fairly similar to that of the primary ions and also influenced by a rapidly increasing energy loss towards the end of their ranges. The present analytical solution of the Boltzmann equation

A BGK model for reactive mixtures of polyatomic gases with continuous internal energy

Science.gov (United States)

Bisi, M.; Monaco, R.; Soares, A. J.

2018-03-01

In this paper we derive a BGK relaxation model for a mixture of polyatomic gases with a continuous structure of internal energies. The emphasis of the paper is on the case of a quaternary mixture undergoing a reversible chemical reaction of bimolecular type. For such a mixture we prove an H -theorem and characterize the equilibrium solutions with the related mass action law of chemical kinetics. Further, a Chapman-Enskog asymptotic analysis is performed in view of computing the first-order non-equilibrium corrections to the distribution functions and investigating the transport properties of the reactive mixture. The chemical reaction rate is explicitly derived at the first order and the balance equations for the constituent number densities are derived at the Euler level.

Analysis of phosphorus herbicides by ion-pairing reversed-phase liquid chromatography coupled to inductively coupled plasma mass spectrometry with octapole reaction cell.

Science.gov (United States)

Sadi, Baki B M; Vonderheide, Anne P; Caruso, Joseph A

2004-09-24

A reversed phase ion-pairing high performance liquid chromatographic (RPIP-HPLC) method is developed for the separation of two phosphorus herbicides, Glufosinate and Glyphosate as well as Aminomethylphosphonic acid (AMPA), the major metabolite of Glyphosate. Tetrabutylammonium hydroxide is used as the ion-pairing reagent in conjunction with an ammonium acetate/acetic acid buffering system at pH 4.7. An inductively coupled plasma mass spectrometer (ICP-MS) is coupled to the chromatographic system to detect the herbicides at m/z = 31P. Historically, phosphorus has been recognized as one of the elements difficult to analyze in argon plasma. This is due to its relatively high ionization potential (10.5 eV) as well as the inherent presence of the polyatomic interferences 14N16O1H+ and 15N16O+ overlapping its only isotope at m/z = 31. An octapole reaction cell is utilized to minimize the isobaric polyatomic interferences and to obtain the highest signal-to-background ratio. Detection limits were found to be in the low ppt range (25-32 ng/l). The developed method is successfully applied to the analysis of water samples collected from the Ohio River and spiked with a standard compounds at a level of 20 microg/l.

Laser fluorimetry of mixtures of polyatomic organic compounds using artificial neural networks

International Nuclear Information System (INIS)

Dolenko, S A; Gerdova, I V; Dolenko, T A; Fadeev, V V

2001-01-01

New possibilities of laser fluorimetry offered by the use of algorithms for solving inverse problems based on artificial neural networks are demonstrated. A two-component mixture of polyatomic organic compounds is analysed by three methods of laser fluorimetry: a direct analysis of the fluorescence band, the kinetic fluorimetry (when durations of the laser pulse and the detector gate pulse are comparable with the fluorescence lifetimes or exceed them), and the saturation fluorimetry. The numerical experiments showed that the use of artificial neural networks in these methods provides a high practical stability of the solution of inverse problems and ensures a high sensitivity and a high accuracy of determining the contribution of components to fluorescence and of measuring molecular photophysical parameters, which can be used for the identification of components. (laser applications and other topics in quantum electronics)

Probing strong-field electron-nuclear dynamics of polyatomic molecules using proton motion

International Nuclear Information System (INIS)

Markevitch, Alexei N.; Smith, Stanley M.; Levis, Robert J.; Romanov, Dmitri A.

2007-01-01

Proton ejection during Coulomb explosion is studied for several structure-related organic molecules (anthracene, anthraquinone, and octahydroanthracene) subjected to 800 nm, 60 fs laser pulses at intensities from 0.50 to 4.0x10 14 W cm -2 . The proton kinetic energy distributions are found to be markedly structure specific. The distributions are bimodal for anthracene and octahydroanthracene and trimodal for anthraquinone. Maximum (cutoff) energies of the distributions range from 50 eV for anthracene to 83 eV for anthraquinone. The low-energy mode (∼10 eV) is most pronounced in octahydroanthracene. The dependence of the characteristic features of the distributions on the laser intensity provides insights into molecular specificity of such strong-field phenomena as (i) nonadiabatic charge localization and (ii) field-mediated restructuring of polyatomic molecules polarized by a strong laser field

Prospects of using the second-order perturbation theory of the MP2 type in the theory of electron scattering by polyatomic molecules

Energy Technology Data Exchange (ETDEWEB)

Čársky, Petr [J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, v.i.i., Dolejškova 3, 18223 Prague 8 (Czech Republic)

2015-01-22

So far the second-order perturbation theory has been only applied to the hydrogen molecule. No application was attempted for another molecule, probably because of technical difficulties of such calculations. The purpose of this contribution is to show that the calculations of this type are now feasible on larger polyatomic molecules even on commonly used computers.

Direct determination of recoil ion detection efficiency for coincidence time-of-flight studies of molecular fragmentation

International Nuclear Information System (INIS)

Ben-Itzhak, I.; Carnes, K.D.; Ginther, S.G.; Johnson, D.T.; Norris, P.J.; Weaver, O.L.

1993-01-01

Molecular fragmentation of diatomic and small polyatomic molecules caused by fast ion impact has been studied. The evaluation of the cross sections of the different fragmentation channels depends strongly on the recoil ion detection efficiency, ε r (single ions proportional to ε r , and ion pairs to ε 2 r , etc.). A method is suggested for the direct determination of this detection efficiency. This method is based on the fact that fast H + + CH 4 collisions produce C 2+ fragments only in coincidence with H + and H + 2 fragments, that is, there is a negligible number of C 2+ singles, if any. The measured yield of C 2+ singles is therefore due to events in which the H + m of the H + m + C 2+ ion pair was not detected and thus is proportional to 1 - ε r . Methane fragmentation caused by 1 MeV proton impact is used to evaluate directly the recoil ion detection efficiency and to demonstrate the method of deriving the cross sections of all breakup channels. (orig.)

A study to compute integrated dpa for neutron and ion irradiation environments using SRIM-2013

Science.gov (United States)

Saha, Uttiyoarnab; Devan, K.; Ganesan, S.

2018-05-01

Displacements per atom (dpa), estimated based on the standard Norgett-Robinson-Torrens (NRT) model, is used for assessing radiation damage effects in fast reactor materials. A computer code CRaD has been indigenously developed towards establishing the infrastructure to perform improved radiation damage studies in Indian fast reactors. We propose a method for computing multigroup neutron NRT dpa cross sections based on SRIM-2013 simulations. In this method, for each neutron group, the recoil or primary knock-on atom (PKA) spectrum and its average energy are first estimated with CRaD code from ENDF/B-VII.1. This average PKA energy forms the input for SRIM simulation, wherein the recoil atom is taken as the incoming ion on the target. The NRT-dpa cross section of iron computed with "Quick" Kinchin-Pease (K-P) option of SRIM-2013 is found to agree within 10% with the standard NRT-dpa values, if damage energy from SRIM simulation is used. SRIM-2013 NRT-dpa cross sections applied to estimate the integrated dpa for Fe, Cr and Ni are in good agreement with established computer codes and data. A similar study carried out for polyatomic material, SiC, shows encouraging results. In this case, it is observed that the NRT approach with average lattice displacement energy of 25 eV coupled with the damage energies from the K-P option of SRIM-2013 gives reliable displacement cross sections and integrated dpa for various reactor spectra. The source term of neutron damage can be equivalently determined in the units of dpa by simulating self-ion bombardment. This shows that the information of primary recoils obtained from CRaD can be reliably applied to estimate the integrated dpa and damage assessment studies in accelerator-based self-ion irradiation experiments of structural materials. This study would help to advance the investigation of possible correlations between the damages induced by ions and reactor neutrons.

Characterization of primary coolant purification system samples for assay of spent ion exchanger radionuclide inventor

International Nuclear Information System (INIS)

Sajin Prasad, S.; Pant, Amar; Sharma, Ranjit; Pal, Sanjit

2018-01-01

The primary coolant system water of a research reactor contains various fission and activation products and the water is circulated continuously through ion exchange resin cartridges, to reduce the radioactive ionic impurity present in it. The coolant purification system comprises of an ion exchange cooler, two micro filters, and a battery of six ion exchanger beds, associated valves, piping and instrumentation (Heavy water System Operating manual, 2014). The spent cartridge is finally disposed off as active solid waste which contains predominantly long lived fission and activation products. The heavy water coolant is also used to cool the structural assemblies after passing through primary heat exchanger and a metallic strainer, which accumulates the fission and activation products. When there is a reduction of coolant flow through these strainers, they are removed for cleaning and decontamination. This paper describes the characterization of ion exchange resin samples and liquid effluent generated during ultra sonic decontamination of strainer. The results obtained can be used as a methodology for the assay of the spent ion exchanger cartridges radionuclide inventory, during its disposal

Femtosecond response of polyatomic molecules to ultra-intense hard X-rays.

Science.gov (United States)

Rudenko, A; Inhester, L; Hanasaki, K; Li, X; Robatjazi, S J; Erk, B; Boll, R; Toyota, K; Hao, Y; Vendrell, O; Bomme, C; Savelyev, E; Rudek, B; Foucar, L; Southworth, S H; Lehmann, C S; Kraessig, B; Marchenko, T; Simon, M; Ueda, K; Ferguson, K R; Bucher, M; Gorkhover, T; Carron, S; Alonso-Mori, R; Koglin, J E; Correa, J; Williams, G J; Boutet, S; Young, L; Bostedt, C; Son, S-K; Santra, R; Rolles, D

2017-06-01

X-ray free-electron lasers enable the investigation of the structure and dynamics of diverse systems, including atoms, molecules, nanocrystals and single bioparticles, under extreme conditions. Many imaging applications that target biological systems and complex materials use hard X-ray pulses with extremely high peak intensities (exceeding 10 20 watts per square centimetre). However, fundamental investigations have focused mainly on the individual response of atoms and small molecules using soft X-rays with much lower intensities. Studies with intense X-ray pulses have shown that irradiated atoms reach a very high degree of ionization, owing to multiphoton absorption, which in a heteronuclear molecular system occurs predominantly locally on a heavy atom (provided that the absorption cross-section of the heavy atom is considerably larger than those of its neighbours) and is followed by efficient redistribution of the induced charge. In serial femtosecond crystallography of biological objects-an application of X-ray free-electron lasers that greatly enhances our ability to determine protein structure-the ionization of heavy atoms increases the local radiation damage that is seen in the diffraction patterns of these objects and has been suggested as a way of phasing the diffraction data. On the basis of experiments using either soft or less-intense hard X-rays, it is thought that the induced charge and associated radiation damage of atoms in polyatomic molecules can be inferred from the charge that is induced in an isolated atom under otherwise comparable irradiation conditions. Here we show that the femtosecond response of small polyatomic molecules that contain one heavy atom to ultra-intense (with intensities approaching 10 20 watts per square centimetre), hard (with photon energies of 8.3 kiloelectronvolts) X-ray pulses is qualitatively different: our experimental and modelling results establish that, under these conditions, the ionization of a molecule is

Energy distribution in dissociations of polyatomic molecules

International Nuclear Information System (INIS)

Koernig, S.A.

1989-01-01

In this thesis studies are reported of fragmentation processes in polyatomic molecules. In order to find out which dessocaciation reactions take place, how they are brought about by the internal energy of the reactant, and to investigate the structure of the dissociating 'transition state', the fragment mass and the corresponding kinetic energy release (KER) are determined by differential translational spectroscopy using a position and time sensitive two-particle coincidence detector. The results are interpreted using the statistical theory of unimolecular dissociation. It turns out that the standard assumptions of the theory, especially in calculating KER-distributions, are not realistic in all molecules considered. Dissociation is induced by the neutralization with alkali metal vapour. In ch. 2 the experimental method and the analysis of the data (dissociation pathways, branching ratios and ε-d-distributions) are introduced and exemplified by measurements of cyclohexane, which represents the upper limit in precursor and fragment mass accessible in the apparatus. In ch. 3 a study is reported of the molecules methylchloride (CH 3 Cl) and the acetylradical (CH 3 CO). In spite of their similar geometric structures, completely different dissociation mechanisms have been found. Methylchloride dissociates via a repulsive state; acetyl radicals show energy scrambling. The energy distribution from dissociating acetyl exemplifies dynamical effects in the dissociation. In ch. 4 an investigation of a number of prototype hydrocarbons is presented. The dissociation pathways of several small linear alkanes indicate that neutralization takes place to unknown repulsive potentials, of which the position and steepness are determined from the kinetic energy release. (author). 118 refs.; 40 figs.; 5 tabs

Secondary electron emission of thin carbon foils under the impact of hydrogen atoms, ions and molecular ions, under energies within the MeV range; Multiplicite des electrons secondaires emis par des cibles minces de carbone sous l'impact de projectiles H0, H2+, H3+ d'energie de l'ordre du MeV

Energy Technology Data Exchange (ETDEWEB)

Vidovic, Z

1997-06-15

This work focuses on the study of the emission statistics of secondary electrons from thin carbon foils bombarded with H{sup 0}, H{sub 2}{sup +} and H{sub 3}{sup +} projectiles in the 0.25-2.2 MeV energy range. The phenomenon of secondary electron emission from solids under the impact of swift ions is mainly due to inelastic interactions with target electrons. The phenomenological and theoretical descriptions, as well as a summary of the main theoretical models are the subject of the first chapter. The experimental set-up used to measure event by event the electron emission of the two faces of a thin carbon foil traversed by an energetic projectile is described in the chapter two. In this chapter are also presented the method and algorithms used to process experimental spectra in order to obtain the statistical distribution of the emitted electrons. Chapter three presents the measurements of secondary electron emission induced by H atoms passing through thin carbon foils. The secondary electron yields are studied in correlation with the emergent projectile charge state. We show the peculiar role of the projectile electron, whether it remains or not bound to the incident proton. The fourth chapter is dedicated to the secondary electron emission induced by H{sub 2}{sup +} and H{sub 3}{sup +} polyatomic ions. The results are interpreted in terms of collective effects in the interactions of these ions with solids. The role of the proximity of the protons, molecular ion fragments, upon the amplitude of these collective effects is evidenced from the study of the statistics of forward emission. These experiences allowed us to shed light on various aspects of atom and polyatomic ion inter-actions with solid surfaces. (author)

Imaging and characterization of primary and secondary radiation in ion beam therapy

Energy Technology Data Exchange (ETDEWEB)

Granja, Carlos, E-mail: carlos.granja@utef.cvut.cz; Opalka, Lukas [Institute of Experimental and Applied Physics, Czech Technical University in Prague (Czech Republic); Martisikova, Maria; Gwosch, Klaus [German Cancer Research Center, Heidelberg (Germany); Jakubek, Jan [Advacam, Prague (Czech Republic)

2016-07-07

Imaging in ion beam therapy is an essential and increasingly significant tool for treatment planning and radiation and dose deposition verification. Efforts aim at providing precise radiation field characterization and online monitoring of radiation dose distribution. A review is given of the research and methodology of quantum-imaging, composition, spectral and directional characterization of the mixed-radiation fields in proton and light ion beam therapy developed by the IEAP CTU Prague and HIT Heidelberg group. Results include non-invasive imaging of dose deposition and primary beam online monitoring.

Imaging and characterization of primary and secondary radiation in ion beam therapy

International Nuclear Information System (INIS)

Granja, Carlos; Opalka, Lukas; Martisikova, Maria; Gwosch, Klaus; Jakubek, Jan

2016-01-01

Imaging in ion beam therapy is an essential and increasingly significant tool for treatment planning and radiation and dose deposition verification. Efforts aim at providing precise radiation field characterization and online monitoring of radiation dose distribution. A review is given of the research and methodology of quantum-imaging, composition, spectral and directional characterization of the mixed-radiation fields in proton and light ion beam therapy developed by the IEAP CTU Prague and HIT Heidelberg group. Results include non-invasive imaging of dose deposition and primary beam online monitoring.

Direct simulation Monte Carlo modeling of relaxation processes in polyatomic gases

Science.gov (United States)

Pfeiffer, M.; Nizenkov, P.; Mirza, A.; Fasoulas, S.

2016-02-01

Relaxation processes of polyatomic molecules are modeled and implemented in an in-house Direct Simulation Monte Carlo code in order to enable the simulation of atmospheric entry maneuvers at Mars and Saturn's Titan. The description of rotational and vibrational relaxation processes is derived from basic quantum-mechanics using a rigid rotator and a simple harmonic oscillator, respectively. Strategies regarding the vibrational relaxation process are investigated, where good agreement for the relaxation time according to the Landau-Teller expression is found for both methods, the established prohibiting double relaxation method and the new proposed multi-mode relaxation. Differences and applications areas of these two methods are discussed. Consequently, two numerical methods used for sampling of energy values from multi-dimensional distribution functions are compared. The proposed random-walk Metropolis algorithm enables the efficient treatment of multiple vibrational modes within a time step with reasonable computational effort. The implemented model is verified and validated by means of simple reservoir simulations and the comparison to experimental measurements of a hypersonic, carbon-dioxide flow around a flat-faced cylinder.

Direct simulation Monte Carlo modeling of relaxation processes in polyatomic gases

International Nuclear Information System (INIS)

Pfeiffer, M.; Nizenkov, P.; Mirza, A.; Fasoulas, S.

2016-01-01

Relaxation processes of polyatomic molecules are modeled and implemented in an in-house Direct Simulation Monte Carlo code in order to enable the simulation of atmospheric entry maneuvers at Mars and Saturn’s Titan. The description of rotational and vibrational relaxation processes is derived from basic quantum-mechanics using a rigid rotator and a simple harmonic oscillator, respectively. Strategies regarding the vibrational relaxation process are investigated, where good agreement for the relaxation time according to the Landau-Teller expression is found for both methods, the established prohibiting double relaxation method and the new proposed multi-mode relaxation. Differences and applications areas of these two methods are discussed. Consequently, two numerical methods used for sampling of energy values from multi-dimensional distribution functions are compared. The proposed random-walk Metropolis algorithm enables the efficient treatment of multiple vibrational modes within a time step with reasonable computational effort. The implemented model is verified and validated by means of simple reservoir simulations and the comparison to experimental measurements of a hypersonic, carbon-dioxide flow around a flat-faced cylinder

Direct simulation Monte Carlo modeling of relaxation processes in polyatomic gases

Energy Technology Data Exchange (ETDEWEB)

Pfeiffer, M., E-mail: mpfeiffer@irs.uni-stuttgart.de; Nizenkov, P., E-mail: nizenkov@irs.uni-stuttgart.de; Mirza, A., E-mail: mirza@irs.uni-stuttgart.de; Fasoulas, S., E-mail: fasoulas@irs.uni-stuttgart.de [Institute of Space Systems, University of Stuttgart, Pfaffenwaldring 29, D-70569 Stuttgart (Germany)

2016-02-15

Relaxation processes of polyatomic molecules are modeled and implemented in an in-house Direct Simulation Monte Carlo code in order to enable the simulation of atmospheric entry maneuvers at Mars and Saturn’s Titan. The description of rotational and vibrational relaxation processes is derived from basic quantum-mechanics using a rigid rotator and a simple harmonic oscillator, respectively. Strategies regarding the vibrational relaxation process are investigated, where good agreement for the relaxation time according to the Landau-Teller expression is found for both methods, the established prohibiting double relaxation method and the new proposed multi-mode relaxation. Differences and applications areas of these two methods are discussed. Consequently, two numerical methods used for sampling of energy values from multi-dimensional distribution functions are compared. The proposed random-walk Metropolis algorithm enables the efficient treatment of multiple vibrational modes within a time step with reasonable computational effort. The implemented model is verified and validated by means of simple reservoir simulations and the comparison to experimental measurements of a hypersonic, carbon-dioxide flow around a flat-faced cylinder.

Secondary electron emission of thin carbon foils under the impact of hydrogen atoms, ions and molecular ions, under energies within the MeV range; Multiplicite des electrons secondaires emis par des cibles minces de carbone sous l'impact de projectiles H0, H2+, H3+ d'energie de l'ordre du MeV

Energy Technology Data Exchange (ETDEWEB)

Vidovic, Z

1997-06-15

This work focuses on the study of the emission statistics of secondary electrons from thin carbon foils bombarded with H{sup 0}, H{sub 2}{sup +} and H{sub 3}{sup +} projectiles in the 0.25-2.2 MeV energy range. The phenomenon of secondary electron emission from solids under the impact of swift ions is mainly due to inelastic interactions with target electrons. The phenomenological and theoretical descriptions, as well as a summary of the main theoretical models are the subject of the first chapter. The experimental set-up used to measure event by event the electron emission of the two faces of a thin carbon foil traversed by an energetic projectile is described in the chapter two. In this chapter are also presented the method and algorithms used to process experimental spectra in order to obtain the statistical distribution of the emitted electrons. Chapter three presents the measurements of secondary electron emission induced by H atoms passing through thin carbon foils. The secondary electron yields are studied in correlation with the emergent projectile charge state. We show the peculiar role of the projectile electron, whether it remains or not bound to the incident proton. The fourth chapter is dedicated to the secondary electron emission induced by H{sub 2}{sup +} and H{sub 3}{sup +} polyatomic ions. The results are interpreted in terms of collective effects in the interactions of these ions with solids. The role of the proximity of the protons, molecular ion fragments, upon the amplitude of these collective effects is evidenced from the study of the statistics of forward emission. These experiences allowed us to shed light on various aspects of atom and polyatomic ion inter-actions with solid surfaces. (author)

Effect of the dynamic pressure on the shock wave structure in a rarefied polyatomic gas

Energy Technology Data Exchange (ETDEWEB)

Taniguchi, Shigeru, E-mail: taniguchi@stat.nitech.ac.jp; Sugiyama, Masaru, E-mail: sugiyama@nitech.ac.jp [Graduate School of Engineering, Nagoya Institute of Technology, Nagoya 466-8555 (Japan); Arima, Takashi, E-mail: tks@stat.nitech.ac.jp [Center for Social Contribution and Collaboration, Nagoya Institute of Technology, Nagoya 466-8555 (Japan); Ruggeri, Tommaso, E-mail: tommaso.ruggeri@unibo.it [Department of Mathematics and Research Center of Applied Mathematics (CIRAM), University of Bologna, Bologna (Italy)

2014-01-15

We study the shock wave structure in a rarefied polyatomic gas based on a simplified model of extended thermodynamics in which the dissipation is due only to the dynamic pressure. In this case the differential system is very simple because it is a variant of Euler system with a new scalar equation for the dynamic pressure [T. Arima, S. Taniguchi, T. Ruggeri, and M. Sugiyama, Phys. Lett. A 376, 2799–2803 (2012)]. It is shown that this theory is able to describe the three types of the shock wave structure observed in experiments: the nearly symmetric shock wave structure (Type A, small Mach number), the asymmetric structure (Type B, moderate Mach number), and the structure composed of thin and thick layers (Type C, large Mach number)

Characterisation of human hair surfaces by means of static ToF-SIMS: A comparison between Ga+ and C60+ primary ions

International Nuclear Information System (INIS)

Poleunis, Claude; Everaert, Emmanuel P.; Delcorte, Arnaud; Bertrand, Patrick

2006-01-01

This study deals with the secondary ion yield improvement induced by using C 60 + primary ions instead of Ga + ones to characterize human hair surfaces by ToF-SIMS. For that purpose, a bunch of hair fibres has been analysed with both ion sources. A high improvement is observed for the detection of amino acids with C 60 + primary ions as compared to Ga + ions. As an example, a yield enhancement factor greater than 3000 is found for the CNO - peak. A similar gain is observed for the positive secondary ions characteristic of the amino acids. Most of the atomic ions, such as Ca + , O - and S - , constitute minor peaks with C 60 + ions while they often dominate the spectrum in the case of Ga + ions. However, with the C 60 + source, a series of inorganic combination peaks with the elements Ca, S and O are observed in the positive spectra (i.e. HCaSO 4 + ), while they are marginal with the Ga + source. For the mass range beyond 100 m/z and in both polarities, the hair fingerprints are similar with both sources. In average, for a comparable number of primary ions per spectrum, the C 60 + ion source gives intensities between two and three orders of magnitude higher than the Ga + one

Quantitative GPCR and ion channel transcriptomics in primary alveolar macrophages and macrophage surrogates

Directory of Open Access Journals (Sweden)

Groot-Kormelink Paul J

2012-10-01

Full Text Available Abstract Background Alveolar macrophages are one of the first lines of defence against invading pathogens and play a central role in modulating both the innate and acquired immune systems. By responding to endogenous stimuli within the lung, alveolar macrophages contribute towards the regulation of the local inflammatory microenvironment, the initiation of wound healing and the pathogenesis of viral and bacterial infections. Despite the availability of protocols for isolating primary alveolar macrophages from the lung these cells remain recalcitrant to expansion in-vitro and therefore surrogate cell types, such as monocyte derived macrophages and phorbol ester-differentiated cell lines (e.g. U937, THP-1, HL60 are frequently used to model macrophage function. Methods The availability of high throughput gene expression technologies for accurate quantification of transcript levels enables the re-evaluation of these surrogate cell types for use as cellular models of the alveolar macrophage. Utilising high-throughput TaqMan arrays and focussing on dynamically regulated families of integral membrane proteins, we explore the similarities and differences in G-protein coupled receptor (GPCR and ion channel expression in alveolar macrophages and their widely used surrogates. Results The complete non-sensory GPCR and ion channel transcriptome is described for primary alveolar macrophages and macrophage surrogates. The expression of numerous GPCRs and ion channels whose expression were hitherto not described in human alveolar macrophages are compared across primary macrophages and commonly used macrophage cell models. Several membrane proteins known to have critical roles in regulating macrophage function, including CXCR6, CCR8 and TRPV4, were found to be highly expressed in macrophages but not expressed in PMA-differentiated surrogates. Conclusions The data described in this report provides insight into the appropriate choice of cell models for

Primary frequency regulation with Li-ion battery energy storage system: A case study for Denmark

DEFF Research Database (Denmark)

Swierczynski, Maciej Jozef; Stroe, Daniel Ioan; Stan, Ana-Irina

2013-01-01

Meeting ambitious goals of transition to distributed and environmentally-friendly renewable energy generation can be difficult to achieve without energy storage systems due to technical and economical challenges. Moreover, energy storage systems have a high potential of not only smoothing and imp...... electricity market. Moreover, in this paper a possible improvement of the Li-ion BESS energy management strategy is shown, which allows for obtaining the higher NPV....... lifetime, which introduces significant risk into the business model. This paper deals with the investigation of the lifetime of LiFeP04/C battery systems when they are used to provide primary frequency regulation service. A semi-empirical lifetime model for these battery cells was developed based...... on the results obtained from accelerated lifetime testing. The developed Li­-ion battery lifetime model is later a base for the analyses of the economic profitability of the investment in the Li-ion battery energy storage system (BESS), which delivers the primary frequency regulation service on the Danish...

Operation of Grid -Connected Lithium-Ion Battery Energy Storage System for Primary Frequency Regulation

DEFF Research Database (Denmark)

Stroe, Daniel Loan; Knap, Vaclav; Swierczynski, Maciej Jozef

2017-01-01

Because of their characteristics, which have been continuously improved during the last years, Lithium ion batteries were proposed as an alternative viable solution to present fast-reacting conventional generating units to deliver the primary frequency regulation service. However, even though...... there are worldwide demonstration projects where energy storage systems based on Lithium-ion batteries are evaluated for such applications, the field experience is still very limited. In consequence, at present there are no very clear requirements on how the Lithium-ion battery energy storage systems should...... be operated while providing frequency regulation service and how the system has to re-establish its SOC once the frequency event has passed. Therefore, this paper aims to investigate the effect on the lifetime of the Lithium-ion batteries energy storage system of various strategies for re...

Suggested Operation Grid-Connected Lithium-Ion Battery Energy Storage System for Primary Frequency Regulation

DEFF Research Database (Denmark)

Stroe, Daniel Ioan; Knap, Vaclav; Swierczynski, Maciej Jozef

2015-01-01

Because of their characteristics, which have been continuously improved during the last years, Lithium ion batteries were proposed as an alternative viable solution to present fast-reacting conventional generating units to deliver the primary frequency regulation service. However, even though...... there are worldwide demonstration projects where energy storage systems based on Lithium-ion batteries are evaluated for such applications, the field experience is still very limited. In consequence, at present there are no very clear requirements on how the Lithium-ion battery energy storage systems should...... be operated while providing frequency regulation service and how the system has to re-establish its SOC once the frequency event has passed. Therefore, this paper aims to investigate the effect on the lifetime of the Lithium-ion batteries energy storage system of various strategies for re...

Emission of positive oxygen ions from ion bombardment of adsorbate-covered metal surfaces

International Nuclear Information System (INIS)

Kaurin, M.G.

1989-01-01

During ion bombardment of metal surfaces, collision cascades can result in the emission of sputtered secondary ions. Recent experiments, however, have suggested that the emission of positive ions of electronegative adsorbates can result from electronic processes rather than from processes involving elastic collisions. This dissertation presents the results of experiments studying the emission of positive oxygen ions from oxygen- and carbon-monoxide-covered transition metal surfaces during bombardment by 25-250 keV ions of neon, argon, and krypton. The systems studied may be grouped into four categories. For a nickel substrate with adsorbed oxygen, the emission of positive oxygen ions proceeds through collision cascades. For titanium and niobium with adsorbed oxygen, the emission of positive oxygen ions is proportional to the primary ion velocity, consistent with emission from electronic processes; for a given primary ion velocity, the oxygen ion yield is independent of primary ion species. For substrates of molybdenum and tungsten, the oxygen yield is proportional to primary ion velocity, but the yield also depends on the primary ion species for a given primary ion velocity in a manner that is consistent with emission resulting from electronic processes. For these two groups, except for titanium, the yields during neon ion bombardment do not extrapolate (assuming linearity with primary ion velocity) to a nonzero value at zero beam velocity. The magnitude of the oxygen ion yields from these targets is not consistent with that expected if the emission were induced by secondary electrons emitted during the ion bombardment

Preparation and coherent manipulation of pure quantum states of a single molecular ion

Science.gov (United States)

Chou, Chin-Wen; Kurz, Christoph; Hume, David B.; Plessow, Philipp N.; Leibrandt, David R.; Leibfried, Dietrich

2017-05-01

Laser cooling and trapping of atoms and atomic ions has led to advances including the observation of exotic phases of matter, the development of precision sensors and state-of-the-art atomic clocks. The same level of control in molecules could also lead to important developments such as controlled chemical reactions and sensitive probes of fundamental theories, but the vibrational and rotational degrees of freedom in molecules pose a challenge for controlling their quantum mechanical states. Here we use quantum-logic spectroscopy, which maps quantum information between two ion species, to prepare and non-destructively detect quantum mechanical states in molecular ions. We develop a general technique for optical pumping and preparation of the molecule into a pure initial state. This enables us to observe high-resolution spectra in a single ion (CaH+) and coherent phenomena such as Rabi flopping and Ramsey fringes. The protocol requires a single, far-off-resonant laser that is not specific to the molecule, so many other molecular ions, including polyatomic species, could be treated using the same methods in the same apparatus by changing the molecular source. Combined with the long interrogation times afforded by ion traps, a broad range of molecular ions could be studied with unprecedented control and precision. Our technique thus represents a critical step towards applications such as precision molecular spectroscopy, stringent tests of fundamental physics, quantum computing and precision control of molecular dynamics.

Validations of CNDOL approximate Hamiltonian as a fast and reliable method to obtain vertical excitation energies in polyatomic systems

International Nuclear Information System (INIS)

Montero-Alejo, Ana L.; Gonzalez-Santana, Susana; Montero-Cabrera, Luis A.; Hernandez-Rodriguez, Erix Wiliam; Fuentes-Montero, Maria Elena; Bunge-Molina, Carlos F.; Gonzalez, Augusto

2008-01-01

Theoretical prediction of vertical excitation energies and an estimation of charge distributions of polyatomic systems can be calculated, through the configuration interaction of single (CIS) excited determinants procedure, with the CNDOL (Complete Neglect of Differential Overlap considering the l azimuthal quantum number) Hamiltonians. This method does not use adjusted parameters to fit experimental data and only employ a priori data on atomic orbitals and simple formulas to substitute large computations of electronic integrals. In this sense, different functions for bi-electron integrals have been evaluated in order to improve the approximate Hamiltonian. The reliability of predictions and theoretical consistence has been tested with a benchmark set of organic molecules that covers important classes of chromophores including polyenes and other unsaturated aliphatic compounds, aromatic, hydrocarbons, heterocycles, carbonyl compounds, and nucleobases. The calculations are done at identical geometries (MP2) with the same basis set (6-31G) for these medium-sized molecules and the obtained results were statistically compared with other analogous methods and experimental data. The accuracy of prediction of each CNDOL vertical transitions energy increases while the active space is more complete allowing the best variational optimization of CIS matrices i.e. molecular excited states. Moreover and due to the feasible computation procedure for large polyatomic systems, the studies have been extended, as a preliminary work, in the field of optoelectronic materials for photovoltaic applications. Hence, the excitation energies of different conjugated Phenyl-cored Thiophene Dendrimers optimized by DFT (Density Functional Theory) were calculated and show good agreement with the experiment data. The predicted charge distribution during the excitation contributes to understand the photophysics process on these kind materials. (Full text)

Communication: General variational approach to nuclear-quadrupole coupling in rovibrational spectra of polyatomic molecules

Science.gov (United States)

Yachmenev, Andrey; Küpper, Jochen

2017-10-01

A general algorithm for computing the quadrupole-hyperfine effects in the rovibrational spectra of polyatomic molecules is presented for the case of ammonia (NH3). The method extends the general variational approach TROVE [J. Mol. Spectrosc. 245, 126-140 (2007)] by adding the extra term in the Hamiltonian that describes the nuclear quadrupole coupling, with no inherent limitation on the number of quadrupolar nuclei in a molecule. We applied the new approach to compute the nitrogen-nuclear-quadrupole hyperfine structure in the rovibrational spectrum of NH143. These results agree very well with recent experimental spectroscopic data for the pure rotational transitions in the ground vibrational and ν2 states and the rovibrational transitions in the ν1, ν3, 2ν4, and ν1 + ν3 bands. The computed hyperfine-resolved rovibrational spectrum of ammonia will be beneficial for the assignment of experimental rovibrational spectra, further detection of ammonia in interstellar space, and studies of the proton-to-electron mass variation.

Variational treatment of electron-polyatomic-molecule scattering calculations using adaptive overset grids

Science.gov (United States)

Greenman, Loren; Lucchese, Robert R.; McCurdy, C. William

2017-11-01

The complex Kohn variational method for electron-polyatomic-molecule scattering is formulated using an overset-grid representation of the scattering wave function. The overset grid consists of a central grid and multiple dense atom-centered subgrids that allow the simultaneous spherical expansions of the wave function about multiple centers. Scattering boundary conditions are enforced by using a basis formed by the repeated application of the free-particle Green's function and potential Ĝ0+V ̂ on the overset grid in a Born-Arnoldi solution of the working equations. The theory is shown to be equivalent to a specific Padé approximant to the T matrix and has rapid convergence properties, in both the number of numerical basis functions employed and the number of partial waves employed in the spherical expansions. The method is demonstrated in calculations on methane and CF4 in the static-exchange approximation and compared in detail with calculations performed with the numerical Schwinger variational approach based on single-center expansions. An efficient procedure for operating with the free-particle Green's function and exchange operators (to which no approximation is made) is also described.

Astrochemistry in TSR and CSR Ion Storage Rings

Science.gov (United States)

Novotny, Oldrich

2017-04-01

Dissociative recombination (DR) of molecular ions plays a key role in controlling the charge density and composition of the cold interstellar medium (ISM). Experimental data on DR are required in order to understand the chemical network in the ISM and related processes such as star formation from molecular clouds. Needed data include not only total reaction cross sections, but also the chemical composition and excitation states of the neutral products. Utilizing the TSR storage ring in Heidelberg, Germany, we have carried out DR measurements for astrophysically important molecular ions. We use a merged electron-ion beams technique combined with event-by-event fragment counting and fragment imaging. The count rate of detected neutral DR products yields the absolute DR rate coefficient. Imaging the distribution of fragment distances provides information on the kinetic energy released including the states of both the initial molecule and the final products. Additional kinetic energy sensitivity of the employed detector allows for identification of fragmentation channels by fragment-mass combination within each dissociation event. Such combined information is essential for studies on DR of polyatomic ions with multi-channel breakup. The recently commissioned Cryogenic Storage Ring (CSR) in Heidelberg, Germany, extends the experimental capabilities of TSR by operation at cryogenic temperatures down to 6 K. At these conditions residual gas densities down to 100 cm-3 can be reached resulting in beam storage times of several hours. Long storage in the cold environment allows the ions to relax down to their rotational ground state, thus mimicking well the conditions in the cold ISM. A variety of astrophysically relevant reactions will be investigated at these conditions, such as DR, electron impact excitation, ion-neutral collisions, etc. We report our TSR results on DR of HCl+ and D2Cl+. We also present first results from the CSR commissioning experiments.

Molecular eigenstate spectroscopy: Application to the intramolecular dynamics of some polyatomic molecules in the 3000 to 7000 cm-1 region

International Nuclear Information System (INIS)

Perry, D.S.

1991-05-01

This project uses high resolution infrared spectroscopy to probe the mechanism of intramolecular vibrational redistribution (IVR) in isolated polyatomic molecules. We have found only vibrationally anharmonic coupling in the C-H stretch region of 1-butyne but rotationally mediated coupling is evident in similar spectra of ethanol. The ''keyhole'' model of IVR was developed to account for the similarities and differences between these molecules. The concepts of the model are being implemented numerically in random matrix calculations. A second F-center laser has been purchased and is now being set up to develop an infrared double resonance technique which can be applied to this problem. 4 refs., 5 figs

Characterisation of human hair surfaces by means of static ToF-SIMS: A comparison between Ga{sup +} and C{sub 60} {sup +} primary ions

Energy Technology Data Exchange (ETDEWEB)

Poleunis, Claude [Universite catholique de Louvain (UCL), Unite de Physico-Chimie et de Physique des Materiaux (PCPM), Croix du Sud 1, B-1348 Louvain-la-Neuve (Belgium)]. E-mail: poleunis@pcpm.ucl.ac.be; Everaert, Emmanuel P. [Unilever R and D Port Sunlight, Quarry Road East, Bebington Wirral CH63 3JW (United Kingdom); Delcorte, Arnaud [Universite catholique de Louvain (UCL), Unite de Physico-Chimie et de Physique des Materiaux (PCPM), Croix du Sud 1, B-1348 Louvain-la-Neuve (Belgium); Bertrand, Patrick [Universite catholique de Louvain (UCL), Unite de Physico-Chimie et de Physique des Materiaux (PCPM), Croix du Sud 1, B-1348 Louvain-la-Neuve (Belgium)

2006-07-30

This study deals with the secondary ion yield improvement induced by using C{sub 60} {sup +} primary ions instead of Ga{sup +} ones to characterize human hair surfaces by ToF-SIMS. For that purpose, a bunch of hair fibres has been analysed with both ion sources. A high improvement is observed for the detection of amino acids with C{sub 60} {sup +} primary ions as compared to Ga{sup +} ions. As an example, a yield enhancement factor greater than 3000 is found for the CNO{sup -} peak. A similar gain is observed for the positive secondary ions characteristic of the amino acids. Most of the atomic ions, such as Ca{sup +}, O{sup -} and S{sup -}, constitute minor peaks with C{sub 60} {sup +} ions while they often dominate the spectrum in the case of Ga{sup +} ions. However, with the C{sub 60} {sup +} source, a series of inorganic combination peaks with the elements Ca, S and O are observed in the positive spectra (i.e. HCaSO{sub 4} {sup +}), while they are marginal with the Ga{sup +} source. For the mass range beyond 100 m/z and in both polarities, the hair fingerprints are similar with both sources. In average, for a comparable number of primary ions per spectrum, the C{sub 60} {sup +} ion source gives intensities between two and three orders of magnitude higher than the Ga{sup +} one.

Field Experience from Li-Ion BESS Delivering Primary Frequency Regulation in the Danish Energy Market

DEFF Research Database (Denmark)

Swierczynski, Maciej Jozef; Stroe, Daniel Ioan; Lærke, Rasmus

2014-01-01

In this paper it is presented the practical experience from operating a 1.6 MW/ 0.4 MWh lithium ion battery energy storage system, which is providing primary frequency regulation service on the Danish energy market. Aspects of the battery system requirements and the used control strategy...

Influence of sulfur-bearing polyatomic species on high precision measurements of Cu isotopic composition

Science.gov (United States)

Pribil, M.J.; Wanty, R.B.; Ridley, W.I.; Borrok, D.M.

2010-01-01

An increased interest in high precision Cu isotope ratio measurements using multi-collector inductively coupled plasma mass spectrometry (MC-ICP-MS) has developed recently for various natural geologic systems and environmental applications, these typically contain high concentrations of sulfur, particularly in the form of sulfate (SO42-) and sulfide (S). For example, Cu, Fe, and Zn concentrations in acid mine drainage (AMD) can range from 100??g/L to greater than 50mg/L with sulfur species concentrations reaching greater than 1000mg/L. Routine separation of Cu, Fe and Zn from AMD, Cu-sulfide minerals and other geological matrices usually incorporates single anion exchange resin column chromatography for metal separation. During chromatographic separation, variable breakthrough of SO42- during anion exchange resin column chromatography into the Cu fractions was observed as a function of the initial sulfur to Cu ratio, column properties, and the sample matrix. SO42- present in the Cu fraction can form a polyatomic 32S-14N-16O-1H species causing a direct mass interference with 63Cu and producing artificially light ??65Cu values. Here we report the extent of the mass interference caused by SO42- breakthrough when measuring ??65Cu on natural samples and NIST SRM 976 Cu isotope spiked with SO42- after both single anion column chromatography and double anion column chromatography. A set of five 100??g/L Cu SRM 976 samples spiked with 500mg/L SO42- resulted in an average ??65Cu of -3.50?????5.42??? following single anion column separation with variable SO42- breakthrough but an average concentration of 770??g/L. Following double anion column separation, the average SO42-concentration of 13??g/L resulted in better precision and accuracy for the measured ??65Cu value of 0.01?????0.02??? relative to the expected 0??? for SRM 976. We conclude that attention to SO42- breakthrough on sulfur-rich samples is necessary for accurate and precise measurements of ??65Cu and may require

Studies of selenium and xenon in inductively coupled plasma mass spectrometry

International Nuclear Information System (INIS)

Bricker, T.

1994-01-01

Since its development, inductively coupled plasma mass spectrometry (ICP-MS) has been a widely used analytical technique. ICP-MS offers low detection limits, easy determination of isotope ratios, and simple mass spectra from analyte elements. ICP-MS has been successfully employed for many applications including geological, environmental, biological, metallurgical, food, medical, and industrial. One specific application important to many areas of study involves elemental speciation by using ICP-MS as an element specific detector interfaced to liquid chromatography. Elemental speciation information is important and cannot be obtained by atomic spectrometric methods alone which measure only the total concentration of the element present. Part 1 of this study describes the speciation of selenium in human serum by size exclusion chromatography (SEC) and detection by ICP-MS. Although ICP-MS has been widely sued, room for improvement still exists. Difficulties in ICP-MS include noise in the background, matrix effects, clogging of the sampling orifice with deposited solids, and spectral interference caused by polyatomic ions. Previous work has shown that the addition of xenon into the central channel of the ICP decreases polyatomic ion levels. In Part 2 of this work, a fundamental study involving the measurement of the excitation temperature is carried out to further understand xenon's role in the reduction of polyatomic ions. 155 refs

Field-ion microscope studies of the defect structure of the primary state of damage of irradiated metals

International Nuclear Information System (INIS)

Seidman, D.N.

1975-01-01

A review is presented of field ion microscope applications in studies of point defect distribution in irradiated metals. FIM results on the primary state of radiation damage in neutron and ion-irradiated iridium and tungsten, at both room-temperature and 78 0 K, showed that it consists of: (1) isolated vacancies; (2) depleted zones; (3) compact vacancy clusters of voids; and (4) dislocation loops. The fraction of vacancies stored in the dislocation loops represented a small fraction of the total vacancy concentration; in the case of tungsten it was approximately 10 percent. These FIM observations provide a simple explanation of the low yield-factor, determined by transmission electron microscopy, for a number of ion-irradiated metals

Theoretical simulations of atomic and polyatomic bombardment of an organic overlayer on a metallic substrate

CERN Document Server

Krantzman, K D; Delcorte, A; Garrison, B J

2003-01-01

Our previous molecular dynamics simulations on initial test systems have laid the foundation for understanding some of the effects of polyatomic bombardment. In this paper, we describe simulations of the bombardment of a more realistic model system, an overlayer of sec-butyl-terminated polystyrene tetramers on a Ag left brace 1 1 1 right brace substrate. We have used this model system to study the bombardment with Xe and SF sub 5 projectiles at kinetic energies ranging from 0.50 to 5.0 keV. SF sub 5 sputters more molecules than Xe, but a higher percentage of these are damaged rather than ejected intact when the bombarding energy is greater than 0.50 keV. Therefore, at energies comparable to experimental values, the efficiency, measured as the yield-to-damage ratio, is greater with Xe than SF sub 5. Stable and intact molecules are generally produced by upward moving substrate atoms, while fragments are produced by the upward and lateral motion of reflected projectile atoms and fragments from the target molecul...

The properties of gas-phase multiply charged ions

International Nuclear Information System (INIS)

Newson, K.A.

1999-01-01

This thesis presents the results of a series of experiments investigating the reactivity of gas-phase molecular dications with various neutral collision partners, at collision energies between 3 and 13 eV in the laboratory frame, using a crossed-beam apparatus. The experiment involves the measurement of product ion intensities, which are determined by means of time-of-flight mass spectrometry. The experimental apparatus and methodology, together with the areas of theory important to ion chemistry, are described in the thesis. The product ions of greatest interest are those ions formed by bond-forming (chemical) reactivity. The relative intensities of such product ions, and those ions formed as a result of electron-transfer reactions, are, when recorded as a function of the collision energy, a powerful probe of the reaction mechanism. Additionally, where appropriate, the reactions are examined for isotope effects by using the isotopic analogue of the neutral collision partner. The results of the experiments indicate that no intermolecular isotope effects are present in the reactions of CF 2 2+ and CF 3 2+ with H 2 and D 2 neutral targets. In addition, the observed collision energy dependence is symptomatic of the absence of a barrier to reaction. These observations suggest that the reactions proceed via an impulsive direct reaction mechanism. Such a conclusion casts doubt on the applicability of the Landau-Zener model of H - /D - transfer reactivity. Other results presented in this thesis include the first reported observation of a bond-forming reaction between a molecular dication (CF2 2+ ) and a polyatomic neutral species (NH 3 ). Finally, the branching ratio of the products of bond-forming reactions between CF 2 2+ with HD indicates the operation of a strong intramolecular isotope effect, favouring the formation of the deuterated product. This observation points to a reaction mechanism in which the bond-formation is preceded by electron-transfer. (author)

Study of the advantage and drawback of using Cs+ primary ion beam on metal targets

International Nuclear Information System (INIS)

Vallerand, P.; Baril, M.

1977-01-01

The simplicity of the design of the thermoionic primary ion-source renders its use very easy. Four groups of targets were studied: 1) pure metals (Cu, Cd, Al, Mo, Pb, Zn); 2) various phosphor bronzes of certified composition; 3) four different iron and nickel stainless steels; 4) two kinds of Babbitt alloys. The intensity of the positive spectra is much lower than that of the negative ones. But both contain useful complementary information. Combining the use of a leak of oxygen with the bombardment by Cs + ion enables the detection of many elements at a much lower level of concentration. The easiness of cluster production is another characteristic of Cs + bombardment. (Auth.)

Ion thruster performance model

International Nuclear Information System (INIS)

Brophy, J.R.

1984-01-01

A model of ion thruster performance is developed for high flux density cusped magnetic field thruster designs. This model is formulated in terms of the average energy required to produce an ion in the discharge chamber plasma and the fraction of these ions that are extracted to form the beam. The direct loss of high energy (primary) electrons from the plasma to the anode is shown to have a major effect on thruster performance. The model provides simple algebraic equations enabling one to calculate the beam ion energy cost, the average discharge chamber plasma ion energy cost, the primary electron density, the primary-to-Maxwellian electron density ratio and the Maxwellian electron temperature. Experiments indicate that the model correctly predicts the variation in plasma ion energy cost for changes in propellant gas (Ar, Kr, and Xe), grid transparency to neutral atoms, beam extraction area, discharge voltage, and discharge chamber wall temperature

Continued investigations into techniques producing selective chemical reactions on surfaces and target spheres and related studies. Final report

International Nuclear Information System (INIS)

Denton, M.B.

1982-01-01

This report describes efforts leading to the development and characterization of a compact ion source and optical transfer system producing relatively high current density ion beams. The ion source and beam transfer system represent a major advance in the state of the art in that high current densities at low kinetic energies have been achieved for high molecular weight polyatomic ions. Indeed, the ion beams produced display ion abundance patterns typical of simple low energy electron impact ionization processes

Multi-layer Lanczos iteration approach to calculations of vibrational energies and dipole transition intensities for polyatomic molecules

International Nuclear Information System (INIS)

Yu, Hua-Gen

2015-01-01

We report a rigorous full dimensional quantum dynamics algorithm, the multi-layer Lanczos method, for computing vibrational energies and dipole transition intensities of polyatomic molecules without any dynamics approximation. The multi-layer Lanczos method is developed by using a few advanced techniques including the guided spectral transform Lanczos method, multi-layer Lanczos iteration approach, recursive residue generation method, and dipole-wavefunction contraction. The quantum molecular Hamiltonian at the total angular momentum J = 0 is represented in a set of orthogonal polyspherical coordinates so that the large amplitude motions of vibrations are naturally described. In particular, the algorithm is general and problem-independent. An application is illustrated by calculating the infrared vibrational dipole transition spectrum of CH based on the ab initio T8 potential energy surface of Schwenke and Partridge and the low-order truncated ab initio dipole moment surfaces of Yurchenko and co-workers. A comparison with experiments is made. The algorithm is also applicable for Raman polarizability active spectra

Extended Thermodynamics of Rarefied Polyatomic Gases: 15-Field Theory Incorporating Relaxation Processes of Molecular Rotation and Vibration

Directory of Open Access Journals (Sweden)

Takashi Arima

2018-04-01

Full Text Available After summarizing the present status of Rational Extended Thermodynamics (RET of gases, which is an endeavor to generalize the Navier–Stokes and Fourier (NSF theory of viscous heat-conducting fluids, we develop the molecular RET theory of rarefied polyatomic gases with 15 independent fields. The theory is justified, at mesoscopic level, by a generalized Boltzmann equation in which the distribution function depends on two internal variables that take into account the energy exchange among the different molecular modes of a gas, that is, translational, rotational, and vibrational modes. By adopting the generalized Bhatnagar, Gross and Krook (BGK-type collision term, we derive explicitly the closed system of field equations with the use of the Maximum Entropy Principle (MEP. The NSF theory is derived from the RET theory as a limiting case of small relaxation times via the Maxwellian iteration. The relaxation times introduced in the theory are shown to be related to the shear and bulk viscosities and heat conductivity.

Electron scattering resonances and dissociative attachment in polyatomic molecules

International Nuclear Information System (INIS)

Olthoff, J.K.

1985-01-01

A relatively new technique, electron transmission spectroscopic, is now being used to investigate the unoccupied valence molecular orbitals of many chemical compounds. Electron-transmission spectroscopy measures the energy of negative ion states that arise from electron capture into unoccupied molecular orbitals. Additional information about the unoccupied orbitals may be obtained if the negative ion decays by way of dissociation. Determination of the identity, kinetic energy, and production rates of stable ion fragments supplies information about the shape and position of the potential energy curves which describe the electronic states of the molecule and the anion. Used together, photoelectron, electron transmission, and dissociation data can produce a complete picture of a molecule's valence electronic structure. For this work, a time-of-flight mass spectrometer was attached to an electron transmission spectrometer to observe negative ion fragments due to dissociative attachment. The mass spectrometer measures the identify and kinetic energy of stable negative ions as a function of incident electron energy. Electron transmission spectra and ion production data were acquired for many compounds in four chemical categories

Bi-Directional Ion Emission from Massive Gold Cluster Impacts on Nanometric Carbon Foils.

Science.gov (United States)

Debord, J Daniel; Della-Negra, Serge; Fernandez-Lima, Francisco A; Verkhoturov, Stanislav V; Schweikert, Emile A

2012-04-12

Carbon cluster emission from thin carbon foils (5-40 nm) impacted by individual Au(n) (+q) cluster projectiles (95-125 qkeV, n/q = 3-200) reveals features regarding the energy deposition, projectile range, and projectile fate in matter as a function of the projectile characteristics. For the first time, the secondary ion emission from thin foils has been monitored simultaneously in both forward and backward emission directions. The projectile range and depth of emission were examined as a function of projectile size, energy, and target thickness. A key finding is that the massive cluster impact develops very differently from that of a small polyatomic projectile. The range of the 125 qkeV Au(100q) (+q) (q ≈ 4) projectile is estimated to be 20 nm (well beyond the range of an equal velocity Au(+)) and projectile disintegration occurs at the exit of even a 5 nm thick foil.

Numerical investigation of depth profiling capabilities of helium and neon ions in ion microscopy

Directory of Open Access Journals (Sweden)

Patrick Philipp

2016-11-01

Full Text Available The analysis of polymers by secondary ion mass spectrometry (SIMS has been a topic of interest for many years. In recent years, the primary ion species evolved from heavy monatomic ions to cluster and massive cluster primary ions in order to preserve a maximum of organic information. The progress in less-damaging sputtering goes along with a loss in lateral resolution for 2D and 3D imaging. By contrast the development of a mass spectrometer as an add-on tool for the helium ion microscope (HIM, which uses finely focussed He+ or Ne+ beams, allows for the analysis of secondary ions and small secondary cluster ions with unprecedented lateral resolution. Irradiation induced damage and depth profiling capabilities obtained with these light rare gas species have been far less investigated than ion species used classically in SIMS. In this paper we simulated the sputtering of multi-layered polymer samples using the BCA (binary collision approximation code SD_TRIM_SP to study preferential sputtering and atomic mixing in such samples up to a fluence of 1018 ions/cm2. Results show that helium primary ions are completely inappropriate for depth profiling applications with this kind of sample materials while results for neon are similar to argon. The latter is commonly used as primary ion species in SIMS. For the two heavier species, layers separated by 10 nm can be distinguished for impact energies of a few keV. These results are encouraging for 3D imaging applications where lateral and depth information are of importance.

Primary Displacement Damage Calculation Induced by Neutron and Ion Using Binary Collision Approximation Techniques (Marlowe Code)

International Nuclear Information System (INIS)

Mota, F.; Ortiz, C. J.; Vila, R.

2012-01-01

Irradiation Experimental Area of TechnoFusion will emulate the extreme irradiation fusion conditions in materials by means of three ion accelerators: one used for self-implanting heavy ions (Fe, Si, C,...) to emulate the displacement damage induced by fusion neutrons and the other two for light ions (H and He) to emulate the transmutation induced by fusion neutrons. This Laboratory will play an essential role in the selection of functional materials for DEMO reactor since it will allow reproducing the effects of neutron radiation on fusion materials. Ion irradiation produces little or no residual radioactivity, allowing handling of samples without the need for special precautions. Currently, two different methods are used to calculate the primary displacement damage by neutron irradiation or by ion irradiation. On one hand, the displacement damage doses induced by neutrons are calculated considering the NRT model based on the electronic screening theory of Linhard. This methodology is commonly used since 1975. On the other hand, for experimental research community the SRIM code is commonly used to calculate the primary displacement damage dose induced by ion irradiation. Therefore, both methodologies of primary displacement damage calculation have nothing in common. However, if we want to design ion irradiation experiments capable to emulate the neutron fusion effect in materials, it is necessary to develop comparable methodologies of damage calculation for both kinds of radiation. It would allow us to define better the ion irradiation parameters (Ion, current, Ion energy, dose, etc) required to emulate a specific neutron irradiation environment. Therefore, our main objective was to find the way to calculate the primary displacement damage induced by neutron irradiation and by ion irradiation starting from the same point, that is, the PKA spectrum. In order to emulate the neutron irradiation that would prevail under fusion conditions, two approaches are contemplated: a) on

Estimation of formation enthalpies of vanadates by Born-Gaber cycle method

International Nuclear Information System (INIS)

Golovkin, B.G.

1993-01-01

Principle possibility of calculating Gibbs energy of ionic compound formation as a function of thermochemical radii of component ions of temperature and pressure is shown. Formula for determination of thermochemical radii of polyatomic ions is suggested. Enthalpies of formation of 81 vanadates were estimated with the use of Kapustinsky equation and Born-Gaber cycle

Super TOF secondary ion mass spectroscopy using very highly charged primary ions up to Th70+

International Nuclear Information System (INIS)

Briere, M.A.; Schenkel, T.; Schneider, D.

1995-01-01

The LLNL Electron Beam Ion Trap (EBIT) has made low emittance beams of slow highly charged ions available for ion-solid interaction studies. Such interactions feature the dominance of electronic over collisional effects, and the shock waves generated by the ionized target atoms can desorb large numbers of large molecular species from the surface. This paper presents the first systematic study of the sputtering process due to the incidence of slow very highly charged ions; Th 70+ ions are extracted from EBIT at 7 keV * q and directed onto thin SiO 2 films on Si. Results suggest secondary ion yields of up to 25 per incident ion for Th 70+ (secondary ion yield is increased over that for singly or moderately charged ions). Correlations of the negative, positive, and negative cluster ion yields show promise for application of highly charged ion induced sputtering for enhanced sensitivity and quantitative (absolute) SIMS analysis of deep submicron scale surface layers and polymeric and biomolecular material analysis

Hydrated proton and hydroxide charge transfer at the liquid/vapor interface of water

Energy Technology Data Exchange (ETDEWEB)

Soniat, Marielle; Rick, Steven W., E-mail: srick@uno.edu [Department of Chemistry, University of New Orleans, New Orleans, Louisiana 70148 (United States); Kumar, Revati [Department of Chemistry, Louisiana State University, Baton Rouge, Louisiana 70808 (United States)

2015-07-28

The role of the solvated excess proton and hydroxide ions in interfacial properties is an interesting scientific question with applications in a variety of aqueous behaviors. The role that charge transfer (CT) plays in interfacial behavior is also an unsettled question. Quantum calculations are carried out on clusters of water with an excess proton or a missing proton (hydroxide) to determine their CT. The quantum results are applied to analysis of multi-state empirical valence bond trajectories. The polyatomic nature of the solvated excess proton and hydroxide ion results in directionally dependent CT, depending on whether a water molecule is a hydrogen bond donor or acceptor in relation to the ion. With polyatomic molecules, CT also depends on the intramolecular bond distances in addition to intermolecular distances. The hydrated proton and hydroxide affect water’s liquid/vapor interface in a manner similar to monatomic ions, in that they induce a hydrogen-bonding imbalance at the surface, which results in charged surface waters. This hydrogen bond imbalance, and thus the charged waters at the surface, persists until the ion is at least 10 Å away from the interface.

Hydrated proton and hydroxide charge transfer at the liquid/vapor interface of water

International Nuclear Information System (INIS)

Soniat, Marielle; Rick, Steven W.; Kumar, Revati

2015-01-01

The role of the solvated excess proton and hydroxide ions in interfacial properties is an interesting scientific question with applications in a variety of aqueous behaviors. The role that charge transfer (CT) plays in interfacial behavior is also an unsettled question. Quantum calculations are carried out on clusters of water with an excess proton or a missing proton (hydroxide) to determine their CT. The quantum results are applied to analysis of multi-state empirical valence bond trajectories. The polyatomic nature of the solvated excess proton and hydroxide ion results in directionally dependent CT, depending on whether a water molecule is a hydrogen bond donor or acceptor in relation to the ion. With polyatomic molecules, CT also depends on the intramolecular bond distances in addition to intermolecular distances. The hydrated proton and hydroxide affect water’s liquid/vapor interface in a manner similar to monatomic ions, in that they induce a hydrogen-bonding imbalance at the surface, which results in charged surface waters. This hydrogen bond imbalance, and thus the charged waters at the surface, persists until the ion is at least 10 Å away from the interface

A four-component Dirac theory of ionization of a hydrogen molecular ion in a super-intense laser field

International Nuclear Information System (INIS)

Faisal, F H M

2009-01-01

In this communication, a four-component Dirac theory of ionization of a hydrogen molecular ion, H + 2 , in a super-intense laser field is presented. Analytic expressions for the spin-specific as well as the total ionization currents emitted from the ground state of the ion are derived. The results are given for arbitrary intensity, frequency, wavenumber and polarization of the field, and for the up or down spin of the bound and ionized states of the electron. They also apply for the case of inner-shell ionization of analogous heavier diatomic molecular ions. The presence of molecular two-slit interference effect, first found in the non-relativistic case, the spin-flip ionization current, and an asymmetry of the up- and down-spin currents similar to that predicted in the atomic case, is found to hold for the present relativistic molecular ionic case as well. The possibility of controlling the spin of the dominant ionization current in any direction by simply selecting the handedness of a circularly polarized incident laser field is pointed out. Finally, we note that the present results obtained within the strong field 'KFR' ansatz open up the way for an analogous fully relativistic four-component treatment for ionization of polyatomic molecules and clusters in super-intense laser fields. (fast track communication)

Secondary ion mass spectroscopy (SIMS)

International Nuclear Information System (INIS)

Naik, P.K.

1975-01-01

Secondary Ion Mass Spectrometry (SIMS) which is primarily a method for investigating the chemical composition of the uppermost atomic layer of solid surfaces is explained. In this method, the specimen is bombarded with a primary positive ion beam of small current density monolayer. Positive and negative ions sputtered from the specimen are mass analysed to give the surface chemical composition. The analytical system which consists of a primary ion source, a target manipulator and a mass spectrometer housed in an ultrahigh vacuum system is described. This method can also be used for profile measurements in thin films by using higher current densities of the primary ions. Fields of application such as surface reactions, semiconductors, thin films emission processes, chemistry, metallurgy are touched upon. Various aspects of this method such as the sputtering process, instrumentation, and applications are discussed. (K.B.)

Kinetics of ion-ion mutual neutralization: Halide anions with polyatomic cations

Energy Technology Data Exchange (ETDEWEB)

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

2014-06-14

The binary mutual neutralization (MN) of a series of 17 cations (O{sub 2}{sup +}, NO{sup +}, NO{sub 2}{sup +}, CO{sup +}, CO{sub 2}{sup +}, Cl{sup +}, Cl{sub 2}{sup +}, SO{sub 2}{sup +}, CF{sub 3}{sup +}, C{sub 2}F{sub 5}{sup +}, NH{sub 3}{sup +}, H{sub 3}{sup +}, D{sub 3}{sup +}, H{sub 2}O{sup +}, H{sub 3}O{sup +}, ArH{sup +}, ArD{sup +}) with 3 halide anions (Cl{sup −}, Br{sup −}, I{sup −}) has been investigated in a flowing afterglow-Langmuir probe apparatus using the variable electron and neutral density attachment mass spectrometry technique. The MN rate constants of atom-atom reactions are dominated by the chemical nature of the system (i.e., the specific locations of curve crossings). As the number of atoms in the system increases, the MN rate constants become dominated instead by the physical nature of the system (e.g., the relative velocity of the reactants). For systems involving 4 or more atoms, the 300 K MN rate constants are well described by 2.7 × 10{sup −7} μ{sup −0.5}, where the reduced mass is in Da and the resulting rate constants in cm{sup 3} s{sup −1}. An upper limit to the MN rate constants appears well described by the complex potential model described by Hickman assuming a cross-section to neutralization of 11 000 Å{sup 2} at 300 K, equivalent to 3.5 × 10{sup −7} μ{sup −0.5}.

Atomic and molecular physics

International Nuclear Information System (INIS)

Anderson, V.E.; Cox, J.T.; Huynh, Q.A.

1975-01-01

Topics covered include: electron attachment to SO 2 in high pressure gases; long-lived parent negative ions formed via nuclear-excited Feshbach resonances, part IV, a systematic study of NO 2 -containing benzene derivatives; threshold-electron excitation and compound-negative-ion states of aromatic hydrocarbons; linking of existing data on electron-molecule interactions in gases with those in the liquid phase; slowing down of subexcitation electrons in polyatomic gases; electron mobilities in high-pressure gases (''quasi-liquids''); measurement of the mobility of excess electrons in liquids; potential energy function of an excess electron in a nonpolar liquid; electron mobilities in gases and liquids; photophysics of aromatic hydrocarbons; synthesis of electron-molecule interactions with benzene and benzene derivatives; and spin-off of basic studies on electron attachment to, and elastic scattering from, polyatomic molecules. 14 figures, 2 tables

SIMS diagnostics of nanometer semiconductor structures with the use of cesium ions

International Nuclear Information System (INIS)

Pustovit, A.N.; Vyatkin, A.F.

2006-01-01

The modernization of cesium ion source was carried out to increase the lifetime, the power range of primary ions and temporary stability of primary ion beam. The elements depth profiles obtained with the help of primary cesium ions and primary iodine ions are in good agreement with transmission electron microscopy data [ru

Salt stress induced ion accumulation, ion homeostasis, membrane ...

African Journals Online (AJOL)

Salt stress induced ion accumulation, ion homeostasis, membrane injury and sugar contents in salt-sensitive rice ( Oryza sativa L. spp. indica ) roots under isoosmotic conditions. ... The accumulation of sugars in PT1 roots may be a primary salt-defense mechanism and may function as an osmotic control. Key words: ...

An ion beam deceleration lens for ultra-low-energy ion bombardment of naked DNA

Energy Technology Data Exchange (ETDEWEB)

Thopan, P.; Prakrajang, K. [Plasma and Beam Physics Research Facility, Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Thongkumkoon, P. [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); Suwannakachorn, D. [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: yuldyuld@gmail.com [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)

2013-07-15

Highlights: ► An ion beam deceleration lens was designed and constructed. ► The deceleration lens was installed and tested. ► The decelerated ion beam energy was measured using an electrical field. ► Decelerated ultra-low-energy ion beam bombarded naked DNA. ► Ion beam with energy of a few tens of eV could break DNA strands. -- Abstract: Study of low-energy ion bombardment effect on biological living materials is of significance. High-energy ion beam irradiation of biological materials such as organs and cells has no doubt biological effects. However, ion energy deposition in the ion-bombarded materials dominantly occurs in the low-energy range. To investigate effects from very-low-energy ion bombardment on biological materials, an ion beam deceleration lens is necessary for uniform ion energy lower than keV. A deceleration lens was designed and constructed based on study of the beam optics using the SIMION program. The lens consisted of six electrodes, able to focus and decelerate primary ion beam, with the last one being a long tube to obtain a parallel uniform exiting beam. The deceleration lens was installed to our 30-kV bioengineering-specialized ion beam line. The final decelerated-ion energy was measured using a simple electrostatic field to bend the beam to range from 10 eV to 1 keV controlled by the lens parameters and the primary beam condition. In a preliminary test, nitrogen ion beam at 60 eV decelerated from a primary 20-keV beam bombarded naked plasmid DNA. The original DNA supercoiled form was found to change to relaxed and linear forms, indicating single or double strand breaks. The study demonstrated that the ion bombardment with energy as low as several-tens eV was possible to break DNA strands and thus potential to cause genetic modification of biological cells.

An ion beam deceleration lens for ultra-low-energy ion bombardment of naked DNA

International Nuclear Information System (INIS)

Thopan, P.; Prakrajang, K.; Thongkumkoon, P.; Suwannakachorn, D.; Yu, L.D.

2013-01-01

Highlights: ► An ion beam deceleration lens was designed and constructed. ► The deceleration lens was installed and tested. ► The decelerated ion beam energy was measured using an electrical field. ► Decelerated ultra-low-energy ion beam bombarded naked DNA. ► Ion beam with energy of a few tens of eV could break DNA strands. -- Abstract: Study of low-energy ion bombardment effect on biological living materials is of significance. High-energy ion beam irradiation of biological materials such as organs and cells has no doubt biological effects. However, ion energy deposition in the ion-bombarded materials dominantly occurs in the low-energy range. To investigate effects from very-low-energy ion bombardment on biological materials, an ion beam deceleration lens is necessary for uniform ion energy lower than keV. A deceleration lens was designed and constructed based on study of the beam optics using the SIMION program. The lens consisted of six electrodes, able to focus and decelerate primary ion beam, with the last one being a long tube to obtain a parallel uniform exiting beam. The deceleration lens was installed to our 30-kV bioengineering-specialized ion beam line. The final decelerated-ion energy was measured using a simple electrostatic field to bend the beam to range from 10 eV to 1 keV controlled by the lens parameters and the primary beam condition. In a preliminary test, nitrogen ion beam at 60 eV decelerated from a primary 20-keV beam bombarded naked plasmid DNA. The original DNA supercoiled form was found to change to relaxed and linear forms, indicating single or double strand breaks. The study demonstrated that the ion bombardment with energy as low as several-tens eV was possible to break DNA strands and thus potential to cause genetic modification of biological cells

Interrogating the vibrational relaxation of highly excited polyatomics with time-resolved diode laser spectroscopy: C6H6, C6D6, and C6F6+CO2

International Nuclear Information System (INIS)

Sedlacek, A.J.; Weston, R.E. Jr.; Flynn, G.W.

1991-01-01

The vibrational relaxation of highly excited ground state benzene, benzene d 6 , and hexafluorobenzene by CO 2 has been investigated with high resolution diode laser spectroscopy. The vibrationally hot polyatomics are formed by single photon 248 nm excitation to the S 1 state followed by rapid radiationless transitions. It has been found that in all cases less than 1% of the energy initially present in the polyatomics is deposited into the high frequency mode of CO 2 (ν 3 ). An investigation of the CO 2 (00 0 1) nascent rotational distribution under single collision conditions reveals that very little rotational excitation accompanies vibrational energy transfer to the ν 3 mode. The CO 2 (ν 3 ) rotational states can be described by temperatures, T rot , as follows: C 6 H 6 , T rot =360±30 K; C 6 D 6 , T rot =350±35 K and C 6 F 6 , T rot =340±23 K. An estimate of left-angle ΔE right-angle ν3 , the mean energy transferred to the CO 2 ν 3 mode per collision, suggests that as the availability of low frequency modes in the excited molecule increases, less energy is deposited into the high frequency mode of CO 2 . Finally, evidence is presented suggesting that even at moderate laser fluences, the two-photon ionization of benzene can lead to substantial CO 2 ν 3 excitation via electron+CO 2 inelastic collisions

Ion Prostate Irradiation (IPI) – a pilot study to establish the safety and feasibility of primary hypofractionated irradiation of the prostate with protons and carbon ions in a raster scan technique

International Nuclear Information System (INIS)

Habl, Gregor; Herfarth, Klaus; Hatiboglu, Gencay; Edler, Lutz; Uhl, Matthias; Krause, Sonja; Roethke, Matthias; Schlemmer, Heinz P; Hadaschik, Boris; Debus, Juergen

2014-01-01

Due to physical characteristics, ions like protons or carbon ions can administer the dose to the target volume more efficiently than photons since the dose can be lowered at the surrounding normal tissue. Radiation biological considerations are based on the assumption that the α/β value for prostate cancer cells is 1.5 Gy, so that a biologically more effective dose could be administered due to hypofractionation without increasing risks of late effects of bladder (α/β = 4.0) and rectum (α/β = 3.9). The IPI study is a prospective randomized phase II study exploring the safety and feasibility of primary hypofractionated irradiation of the prostate with protons and carbon ions in a raster scan technique. The study is designed to enroll 92 patients with localized prostate cancer. Primary aim is the assessment of the safety and feasibility of the study treatment on the basis of incidence grade III and IV NCI-CTC-AE (v. 4.02) toxicity and/or the dropout of the patient from the planned therapy due to any reason. Secondary endpoints are PSA-progression free survival (PSA-PFS), overall survival (OS) and quality-of-life (QoL). This pilot study aims at the evaluation of the safety and feasibility of hypofractionated irradiation of the prostate with protons and carbon ions in prostate cancer patients in an active beam technique. Additionally, the safety results will be compared with Japanese results recently published for carbon ion irradiation. Due to the missing data of protons in this hypofractionated scheme, an in depth evaluation of the toxicity will be created to gain basic data for a following comparison study with carbon ion irradiation. Clinical Trial Identifier: http://clinicaltrials.gov/show/NCT01641185 (clinicaltrials.gov)

Molecular depth profiling of organic and biological materials

Energy Technology Data Exchange (ETDEWEB)

Fletcher, John S. [Surface Analysis Research Centre, School of Chemical Engineering and Analytical Science, University of Manchester, Manchester M60 1QD (United Kingdom)]. E-mail: John.Fletcher@manchester.ac.uk; Conlan, Xavier A. [Surface Analysis Research Centre, School of Chemical Engineering and Analytical Science, University of Manchester, Manchester M60 1QD (United Kingdom); Lockyer, Nicholas P. [Surface Analysis Research Centre, School of Chemical Engineering and Analytical Science, University of Manchester, Manchester M60 1QD (United Kingdom); Vickerman, John C. [Surface Analysis Research Centre, School of Chemical Engineering and Analytical Science, University of Manchester, Manchester M60 1QD (United Kingdom)

2006-07-30

Atomic depth profiling using secondary ion mass spectrometry, SIMS, is common in the field micro-electronics; however, the generation of molecular information as a function of sample depth is difficult due to the accumulation of damage both on and beneath the sample surface. The introduction of polyatomic ion beams such as SF{sub 5} and C{sub 60} have raised the possibility of overcoming this problem as they deposit the majority of their energy in the upper surface of the sample resulting in increased sputter yields but with a complimentary reduction in sub-surface damage accumulation. In this paper we report the depth profile analysis of the bio-polymer polycaprolactone, PCL, using the polyatomic ions Au{sub 3}{sup +} and C{sub 60}{sup +} and the monoatomic Au{sup +}. Results are compared to recent analysis of a similar sample using SF{sub 5}{sup +}. C{sub 60}{sup +} depth profiling of cellulose is also demonstrated, an experiment that has been reported as unsuccessful when attempted with SF{sub 5}{sup +} implications for biological analysis are discussed.

Molecular eigenstate spectroscopy: Application to the intramolecular dynamics of some polyatomic molecules in the 3000 to 7000 cm{sup {minus}1} region

Energy Technology Data Exchange (ETDEWEB)

Perry, D.S. [Univ. of Akron, OH (United States)

1993-12-01

Intramolecular vibrational redistribution (IVR) appears to be a universal property of polyatomic molecules in energy regions where the vibrational density of states is greater than about 5 to 30 states per cm{sup {minus}1}. Interest in IVR stems from its central importance to the spectroscopy, photochemistry, and reaction kinetics of these molecules. A bright state, {var_phi}{sub s}, which may be a C-H stretching vibration, carries the oscillator strength from the ground state. This bright state may mix with bath rotational-vibrational levels to form a clump of molecular eigenstates, each of which carries a portion of the oscillator strength from the ground state. In this work the authors explicitly resolve transitions to each of these molecular eigenstates. Detailed information about the nature of IVR is contained in the frequencies and intensities of the observed discrete transitions. The primary goal of this research is to probe the coupling mechanisms by which IVR takes place. The most fundamental distinction to be made is between anharmonic coupling which is independent of molecular rotation and rotationally-mediated coupling. The authors are also interested in the rate at which IVR takes place. Measurements are strictly in the frequency domain but information is obtained about the decay of the zero order state, {var_phi}{sub s}, which could be prepared in a hypothetical experiment as a coherent excitation of the clump of molecular eigenstates. As the coherent superposition dephases, the energy would flow from the initially prepared mode into nearby overtones and combinations of lower frequency vibrational modes. The decay of the initially prepared mode is related to a pure sequence infrared absorption spectrum by a Fourier transform.

Evaluation of secondary ion yield enhancement from polymer material by using TOF-SIMS equipped with a gold cluster ion source

Energy Technology Data Exchange (ETDEWEB)

Aimoto, K. [Department of Applied Physics, Faculty of Engineering, Seikei University, 3-3-1 Kichijioji-Kitamachi, Musashino-shi, Tokyo 180-8633 (Japan)]. E-mail: dm053502@cc.seikei.ac.jp; Aoyagi, S. [Department of Regional Development, Faculty of Life and Environmental Science, Shimane University, 1060 Nishikawatsu-cho, Matsue-shi, Shimane 690-8504 (Japan); Kato, N. [Department of Applied Physics, Faculty of Engineering, Seikei University, 3-3-1 Kichijioji-Kitamachi, Musashino-shi, Tokyo 180-8633 (Japan); Iida, N. [ULVAC-PHI, Inc., 370 Enzo, Chigasaki, Kanagawa 253-0084 (Japan); Yamamoto, A. [ULVAC-PHI, Inc., 370 Enzo, Chigasaki, Kanagawa 253-0084 (Japan); Kudo, M. [Department of Applied Physics, Faculty of Engineering, Seikei University, 3-3-1 Kichijioji-Kitamachi, Musashino-shi, Tokyo 180-8633 (Japan)

2006-07-30

We investigated the enhancement of the secondary ion intensity in the TOF-SIMS spectra obtained by Au{sup +} and Au{sub 3} {sup +} bombardment in comparison with Ga{sup +} excitation using polymer samples with different molecular weight distributions. Since the polymer samples used in this experiment have a wide molecular weight distribution, the advantages of the gold cluster primary ion source over monoatomic ion could accurately be evaluated. It was observed that the degree of fragmentation decreased by the usage of cluster primary ion beam compared with monoatomic ion beam, which was observed as a shift of the intensity distribution in the spectra. It was also found out that the mass effect of Au{sup +} and Ga{sup +} as monoatomic primary ion, resulted in about 10-60 times of enhancement for both samples with different molecular distributions. On the other hand, the Au{sub 3} {sup +} bombardment caused intensity enhancement about 100-2600 compared with Ga{sup +} bombardment, depending on the mass range of the detected secondary ion species. The cluster primary ion effect of Au{sub 3} {sup +}, compared with Au{sup +}, therefore, was estimated to be about 10-45.

Induction of anchorage-independent growth in primary human cells exposed to protons or HZE ions separately or in dual exposures.

Science.gov (United States)

Sutherland, B M; Cuomo, N C; Bennett, P V

2005-10-01

Travelers on space missions will be exposed to a complex radiation environment that includes protons and heavy charged particles. Since protons are present at much higher levels than are heavy ions, the most likely scenario for cellular radiation exposure will be proton exposure followed by a hit by a heavy ion. Although the effects of individual ion species on human cells are being investigated extensively, little is known about the effects of exposure to both radiation types. One useful measure of mammalian cell damage is induction of the ability to grow in a semi-solid agar medium highly inhibitory to the growth of normal human cells, termed neoplastic transformation. Using primary human cells, we evaluated induction of soft-agar growth and survival of cells exposed to protons only or to heavy charged particles (600 MeV/nucleon silicon) only as well as of cells exposed to protons followed after a 4-day interval by silicon ions. Both ions alone efficiently transformed the human cells to anchorage-independent growth. Initial experiments indicate that the dose responses for neoplastic transformation of cells exposed to protons and then after 4 days to silicon ions appear similar to that of cells exposed to silicon ions alone.

Indoor/outdoor of PM10 relationships and its water-soluble ions composition in selected primary schools in Malaysia

Science.gov (United States)

Mohamad, Noorlin; Latif, Mohd Talib

2013-11-01

Measurements of PM10 and water-soluble ions were carried out on indoor and outdoor PM10 (particles > 10 μm in aerodynamic diameter) aerosols sampled at selected primary schools of Kuala Lumpur (S1) and Putrajaya (S2), respectively. Samples were collected using a low volume sampler on Teflon filters. The water-soluble ions chloride (Cl-), nitrate (NO3-), sulfate (SO42-), calcium (Ca2+), magnesium (Mg2+), sodium (Na+), potassium (K+) and ammonium (NH4+) was analyzed using ion chromatography. The results showed that the indoor PM10 mass concentrations in S1 and S2 were 96.6 and 69.5 μg/m3, while the outdoor PM10 mass concentrations were 80.1 and 85.2 μg/m3, respectively. This indicated that NO3- were the most dominant ions, followed by SO42-, Ca2+, K+ and Na+, while Cl-, Mg2+ and Na+ were present at low concentrations. Pearson's correlation test applied to all the data showed high correlation between SO42- and NO3-, indicating a common anthropogenic origin. In addition, the correlations between Na+ and Ca2+ indicated crustal origins that significantly contributed to human exposure.

Dynamic Secondary Ion Mass Spectrometry | Materials Science | NREL

Science.gov (United States)

Ion Mass Spectrometry (SIMS) uses a continuous, focused beam of primary ions to remove material from the surface of a sample by sputtering. The fraction of sputtered material that is ionized is extracted Identifies all elements or isotopes present in a material, from hydrogen to uranium. Different primary-ion

Depth profiling of residual activity of ^{237}U fragments as a range verification technique for ^{238}U primary ion beam

Directory of Open Access Journals (Sweden)

I. Strašík

2012-07-01

Full Text Available Experimental and simulation data concerning fragmentation of ^{238}U ion beam in aluminum, copper, and stainless-steel targets with the initial energy 500 and 950  MeV/u are collected in the paper. A range-verification technique based on depth profiling of residual activity is presented. The irradiated targets were constructed in the stacked-foil geometry and analyzed using gamma-ray spectroscopy. One of the purposes of these experiments was depth profiling of residual activity of induced nuclides and projectile fragments. Among the projectile fragments, special attention is paid to the ^{237}U isotope that has a range very close to the range of the primary ^{238}U ions. Therefore, the depth profiling of the ^{237}U isotope can be utilized for experimental verification of the ^{238}U primary-beam range, which is demonstrated and discussed in the paper. The experimental data are compared with computer simulations by FLUKA, SRIM, and ATIMA, as well as with complementary experiments.

Carbon-ion radiotherapy for locally advanced primary or postoperative recurrent epithelial carcinoma of the lacrimal gland

International Nuclear Information System (INIS)

Mizoguchi, Nobutaka; Tsuji, Hiroshi; Toyama, Shingo; Kamada, Tadashi; Tsujii, Hirohiko; Nakayama, Yuko; Mizota, Atsushi; Ohnishi, Yoshitaka

2015-01-01

Purpose: To evaluate the applicability of carbon ion beams for the treatment of carcinoma of the lacrimal gland with regard to normal tissue morbidity and local tumor control. Methods and materials: Between April 2002 and January 2011, 21 patients with locally advanced primary epithelial carcinoma of the lacrimal gland were enrolled in a Phase I/II clinical trial of carbon-ion radiotherapy (CIRT) at the National Institute of Radiological Sciences. Acute radiation toxicity was the primary endpoint of this dose-escalation study and the late toxicity, local control, and overall survival were additionally evaluated as secondary endpoints. Of the 21 subjects enrolled, all patients were followed for more than 6 months and analyzed. Results: The radiation dose was increased from the initial dose of 48.0 Gy equivalents (GyE)/12 fractions at 10% increments up to 52.8 GyE. Of the 21 patients, five received a total dose of 48.0 GyE, and 16 received a total dose of 52.8 GyE. No patient developed grade 3 or higher skin toxicity. As late ocular/visual toxicity, three patients had grade 3 retinopathy and seven patients lost their vision. Among the 10 patients treated until May 2005, five patients had local recurrence, three of whom had marginal recurrence. Therefore, the margin for the CTV (clinical target volume) was set to a range according to the orbital exenteration since June 2005. After the application of the extended margin, no local recurrence has been observed. The three-year overall survival and local control rates were 82.2% and 79.0%, respectively. Conclusion: CIRT can be applied for primary epithelial carcinoma of the lacrimal gland, with a borderline acceptable morbidity and sufficient antitumor effect when an extended margin is adopted

Analysis of seven salad rocket (Eruca sativa) accessions: The relationships between sensory attributes and volatile and non-volatile compounds.

Science.gov (United States)

Bell, Luke; Methven, Lisa; Signore, Angelo; Oruna-Concha, Maria Jose; Wagstaff, Carol

2017-03-01

Sensory and chemical analyses were performed on accessions of rocket (Eruca sativa) to determine phytochemical influences on sensory attributes. A trained panel was used to evaluate leaves, and chemical data were obtained for polyatomic ions, amino acids, sugars and organic acids. These chemical data (and data of glucosinolates, flavonols and headspace volatiles previously reported) were used in Principal Component Analysis (PCA) to determine variables statistically important to sensory traits. Significant differences were observed between samples for polyatomic ion and amino acid concentrations. PCA revealed strong, positive correlations between glucosinolates, isothiocyanates and sulfur compounds with bitterness, mustard, peppery, warming and initial heat mouthfeel traits. The ratio between glucosinolates and sugars inferred reduced perception of bitter aftereffects. We highlight the diversity of E. sativa accessions from a sensory and phytochemical standpoint, and the potential for breeders to create varieties that are nutritionally and sensorially superior to existing ones. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

Ion - biomolecule interactions and radiation damage

International Nuclear Information System (INIS)

Schlathoelter, T.

2004-01-01

Full text: The biological effects of ionizing radiation in living cells are not a mere result of the direct impact of high energy quanta of radiation. Secondary particles such as low energy electrons, radicals and (multiply charged) ions are formed within the track. The interaction of these secondary particles with biologically relevant molecules is responsible for a large fraction of biological radiation damage to a cell, as well. Singly and multiply charged ions can be of importance as both, primary and secondary particles, and are known to cause severe biological damage. For instance, in heavy ion therapy and proton therapy the pronounced Bragg peak of fast (typically a few 100 MeV/u) ions in biological tissue is utilized. The Bragg peak is located at a depth, where the ions (mostly C q+ or protons) are slowed down to about 100 keV/u and have their maximum linear energy transfer (LET) to the medium. This depth is reasonably well defined and depends on the initial ion kinetic energy. Since the ions are rapidly stopped in this energy range, penetration beyond the Bragg peak is weak and it is thus possible to 'scan' the Bragg peak through a malignant tumour without excessive damage of the surrounding tissue by mere variation of the ion kinetic energy (i.e. the penetration depth). Severe biological damage is almost only possible, when the track of a primary quantum of ionizing radiation crosses the nucleus of a cell. Particularly the induction of double strand breaks of DNA or clustered DNA lesions is potentially lethal or mutagenic. A primary particle interacting with individual molecules within this environment leads to molecular excitation, ionization and fragmentation. In the process, the primary particle looses energy and slow secondary electrons and ions are formed, which might induce further damage. For a deep understanding of biological radiation damage on the level of individual molecules it is thus important to quantify excitation, ionization and

Primary Frequency Regulation with Li-Ion Battery Energy Storage System - Evaluation and Comparison of Different Control Strategies

DEFF Research Database (Denmark)

Thorbergsson, Egill; Knap, Vaclav; Swierczynski, Maciej Jozef

2013-01-01

devices is becoming more attractive, the aim of this paper is to analyse the viability of providing primary frequency regulation with Lithium-ion based energy storage systems. Three control strategies of the energy storage system are analysed and compared in terms of economic benefits on the Danish energy...... market. The revenues and degradation of the Lithium-ion batteries are obtained by simulations. Furthermore, an energy management strategy based on variable state-of-charge (SOC) set-point is evaluated. Preliminary, the influence of different state-of-charge levels on the cycle lifetime is estimated......The increased grid penetration levels of renewable sources are at the expense of the conventional power plants. This means that the grid support functions, traditionally achieved by the conventional power plants, need to be provided by new technologies. Since grid support with energy storage...

Polyad quantum numbers and multiple resonances in anharmonic vibrational studies of polyatomic molecules.

Science.gov (United States)

Krasnoshchekov, Sergey V; Stepanov, Nikolay F

2013-11-14

In the theory of anharmonic vibrations of a polyatomic molecule, mixing the zero-order vibrational states due to cubic, quartic and higher-order terms in the potential energy expansion leads to the appearance of more-or-less isolated blocks of states (also called polyads), connected through multiple resonances. Such polyads of states can be characterized by a common secondary integer quantum number. This polyad quantum number is defined as a linear combination of the zero-order vibrational quantum numbers, attributed to normal modes, multiplied by non-negative integer polyad coefficients, which are subject to definition for any particular molecule. According to Kellman's method [J. Chem. Phys. 93, 6630 (1990)], the corresponding formalism can be conveniently described using vector algebra. In the present work, a systematic consideration of polyad quantum numbers is given in the framework of the canonical Van Vleck perturbation theory (CVPT) and its numerical-analytic operator implementation for reducing the Hamiltonian to the quasi-diagonal form, earlier developed by the authors. It is shown that CVPT provides a convenient method for the systematic identification of essential resonances and the definition of a polyad quantum number. The method presented is generally suitable for molecules of significant size and complexity, as illustrated by several examples of molecules up to six atoms. The polyad quantum number technique is very useful for assembling comprehensive basis sets for the matrix representation of the Hamiltonian after removal of all non-resonance terms by CVPT. In addition, the classification of anharmonic energy levels according to their polyad quantum numbers provides an additional means for the interpretation of observed vibrational spectra.

Molecular beam studies of reaction dynamics

International Nuclear Information System (INIS)

Lee, Yuan T.

1991-03-01

The major thrust of this research project is to elucidate detailed dynamics of simple elementary reactions that are theoretically important and to unravel the mechanism of complex chemical reactions or photochemical processes that play important roles in many macroscopic processes. Molecular beams of reactants are used to study individual reactive encounters between molecules or to monitor photodissociation events in a collision-free environment. Most of the information is derived from measurement of the product fragment energy, angular, and state distributions. Recent activities are centered on the mechanisms of elementary chemical reactions involving oxygen atoms with unsaturated hydrocarbons, the dynamics of endothermic substitution reactions, the dependence of the chemical reactivity of electronically excited atoms on the alignment of excited orbitals, the primary photochemical processes of polyatomic molecules, intramolecular energy transfer of chemically activated and locally excited molecules, the energetics of free radicals that are important to combustion processes, the infrared-absorption spectra of carbonium ions and hydrated hydronium ions, and bond-selective photodissociation through electric excitation

Molecular beam studies of reaction dynamics

Energy Technology Data Exchange (ETDEWEB)

Lee, Y.T. [Lawrence Berkeley Laboratory, CA (United States)

1993-12-01

The major thrust of this research project is to elucidate detailed dynamics of simple elementary reactions that are theoretically important and to unravel the mechanism of complex chemical reactions or photochemical processes that play important roles in many macroscopic processes. Molecular beams of reactants are used to study individual reactive encounters between molecules or to monitor photodissociation events in a collision-free environment. Most of the information is derived from measurement of the product fragment energy, angular, and state distributions. Recent activities are centered on the mechanisms of elementary chemical reactions involving oxygen atoms with unsaturated hydrocarbons, the dynamics of endothermic substitution reactions, the dependence of the chemical reactivity of electronically excited atoms on the alignment of excited orbitals, the primary photochemical processes of polyatomic molecules, intramolecular energy transfer of chemically activated and locally excited molecules, the energetics of free radicals that are important to combustion processes, the infrared-absorption spectra of carbonium ions and hydrated hydronium ions, and bond-selective photodissociation through electric excitation.

A simple model for correcting the zero point energy problem in classical trajectory simulations of polyatomic molecules

International Nuclear Information System (INIS)

Miller, W.H.; Hase, W.L.; Darling, C.L.

1989-01-01

A simple model is proposed for correcting problems with zero point energy in classical trajectory simulations of dynamical processes in polyatomic molecules. The ''problems'' referred to are that classical mechanics allows the vibrational energy in a mode to decrease below its quantum zero point value, and since the total energy is conserved classically this can allow too much energy to pool in other modes. The proposed model introduces hard sphere-like terms in action--angle variables that prevent the vibrational energy in any mode from falling below its zero point value. The algorithm which results is quite simple in terms of the cartesian normal modes of the system: if the energy in a mode k, say, decreases below its zero point value at time t, then at this time the momentum P k for that mode has its sign changed, and the trajectory continues. This is essentially a time reversal for mode k (only exclamation point), and it conserves the total energy of the system. One can think of the model as supplying impulsive ''quantum kicks'' to a mode whose energy attempts to fall below its zero point value, a kind of ''Planck demon'' analogous to a Brownian-like random force. The model is illustrated by application to a model of CH overtone relaxation

Heavy ion source support gas mixing experiments

International Nuclear Information System (INIS)

Hudson, E.D.; Mallory, M.L.

1977-01-01

Experiments on mixing an easily ionized support gas with the primary ion source gas have produced large beam enhancements for high charge state light ions (masses less than or equal to 20). In the Oak Ridge Isochronous Cyclotron (ORIC), the beam increase has been a factor of 5 or greater, depending on ion species and charge state. Approximately 0.1 cc/min of the easily ionized support gas (argon, krypton, or xenon) is supplied to the ion source through a separate gas line and the primary gas flow is reduced by approximately 30 percent. The proposed mechanism for increased intensity is as follows: The heavier support gas ionizes readily to a higher charge state, providing increased cathode heating. The increased heating permits a reduction in primary gas flow (lower pressure) and the subsequent beam increase

Femtosecond photodissociation dynamics of I studied by ion imaging

DEFF Research Database (Denmark)

Larsen, J.J.; Bjerre, N.; Mørkbak, N.J.

1998-01-01

on imaging is employed to analyze the fragments from timed Coulomb explosion studies of femtosecond (fs) molecular dynamics. The technique provides high detection efficiency and direct recording of the two-dimensional velocity of all ionized fragments. We illustrate the approach by studying...... agreement with quantum mechanical wave packet simulations. We discuss the perspectives for extending the studies to photochemical reactions of small polyatomic molecules...

Experimental study of secondary ion emission from bombarded surfaces by heavy ions at nucleon energy between 0.1 and 5 MeV/u

International Nuclear Information System (INIS)

Lorthiois, I.

1983-03-01

A time of flight mass spectrometer associated with 252 Cf has been built in the laboratory and used to identify organic and biological molecules. A few number of examples is shown. The complex interaction processes between primary ions and several kinds of materials can be more easily studied by using heavy ions from an accelerator. The mass of the primary ions, its velocity and its state charge are known parameters wich can be varied in these experiments. The desorption yields have been measured simultaneously with other parameters (velocity of the primary ions, number of emitted electrons). The velocity dependance of the yield shows the existence of a maximum around 1 cm/ns and no direct correlations have been found between the yield curves and the electronic stopping power (dE/dx). Experimental results are presented for several types of primary ions (Cu, Kr, Ag) and of material deposits [fr

Probing thin over layers with variable energy/cluster ion beams

International Nuclear Information System (INIS)

Spool, A.; White, R.

2006-01-01

A series of carbon-coated magnetic recording disks proved ideal for exploring sampling depth and ion formation trends as a function of variations in energy and cluster size (Au x ) of the primary ion beam, and variations in over coat thickness and type. Ion yield from the underlying metal layer increased with increasing energy and decreasing cluster size of the primary ions. The yields varied nearly linearly with over layer thickness. In contrast, M x Cs y depth profiles were unaffected by changes in the primary ion. The samples were fortuitously dosed with dinonyl phthalate, allowing a study similar to prior GSIMS work [I.S. Gilmore, M.P. Seah, J.E. Johnstone, in: A. Benninghoven, P. Bertrand, H.-N. Migeon, H.W. Werner (Eds.), Proceedings of the 12th International Conference on SIMS, Elsevier, Brussels, 2000, p. 801]. Ions prominent in the EI mass spectrum, including even electron ions, were more consistently enhanced at lower energies and higher cluster sizes than the primary (M + H) + ion. The total secondary ion count was inversely proportional to the film thickness. Secondary electrons, largely originating in the buried metal layer, may be inducing organic ion formation [A.M. Spool, Surf. Interface Anal. 36 (2004) 264

Studies on basic properties of ions in crystals and in solutions

International Nuclear Information System (INIS)

Miah, A.

1999-04-01

There is currently tremendous progress being seen in all areas of chemistry and physics provoking many classical ideas of chemical bonding to be modified or even revised. It is therefore highly desirable to revisit basic quantities that are used in treating intra- and intermolecular interactions. In the present work, the following parameters or concepts are critically surveyed and/or updated: the ionic radius both in the crystal and in aqueous solution, the (static electric dipole) polarizability, the effective nuclear charge, lattice enthalpies, and the thermodynamic characteristics (enthalpy, free energy and entropy) of the dissolution of ionic salts in water. Restriction is to noble gas ions and, in addition, symmetrical polyatomic anions. The polarizability of molecular liquids has also been determined. Some of the results may be summarized as follows: 1. The concept of the 'general purpose' Bragg-Slater (BS) radii is refined by assowing for a change in the cation coordination number. In contrast, the anion radii is identified with the covalent radius taken as invariant. These modified BS radii appear to be physically more reasonable than traditional ionic radii, since by their use an intimidating array of radii (covalent, tetrahedral, ionic, metallic) can be brought under the umbrella of one treatment. 2. A simple equation is presented for calculating the enthalpy of dissolution of simple salts in water in terms of the charges of the constituent ions, the lattice spacings and the Born radii. 3. The method of Stokes of correlating crystal lattice energies with the self energies of the gaseous ions is updated by using new values of the effective nuclear charge. 4. A simple interrelationship is shown between the gas-phase polarizabilities of molecular liquids and the hard-sphere diameter. (author)

Development of industrial ion implantation and ion assisted coating processes: A perspective

International Nuclear Information System (INIS)

Legg, K.O.; Solnick-Legg, H.

1989-01-01

Ion beam processes have gone through a series of developmental stages, from being the mainstay of the semiconductor industry for production of integrated circuits, to new commercial processes for biomedical, aerospace and other industries. Although research is still continuing on surface modification using ion beam methods, ion implantation and ion assisted coatings for treatment of metals, ceramics, polymers and composites must now be considered viable industrial processes of benefit in a wide variety of applications. However, ion implantation methods face various barriers to acceptability, in terms not only of other surface treatment processes, but for implantation itself. This paper will discuss some of the challenges faced by a small company whose primary business is development and marketing of ion implantation and ion-assisted coating processes. (orig.)

Characterization of active ion transport across primary rabbit corneal epithelial cell layers (RCrECL) cultured at an air-interface.

Science.gov (United States)

Chang-Lin, Joan-En; Kim, Kwang-Jin; Lee, Vincent H L

2005-06-01

Previously, we reported the development of a primary culture model of tight rabbit corneal epithelial cell layers (RCrECL) characterizing bioelectric parameters, morphology, cytokeratin, and passive permeability. In the present study, we specifically evaluated the active ion transport processes of RCrECL cultured from either pigmented or albino rabbits. Primary cultured RCrECL were grown at an air-interface on Clear-Snapwells precoated with collagen/fibronectin/laminin and mounted in a modified Ussing-type chamber for the evaluation of their active ion transport processes under short-circuited conditions. Contribution of active Na(+) and Cl(-) transport to overall short-circuit current (I(sc)) was evaluated by removing Na(+) and Cl(-), respectively, from bathing fluids of RCrECL and measurements of net fluxes of Na(+) and Cl(-) using (22)Na and (36)Cl, respectively. Amiloride and benzamil were used to determine the role of apical Na(+)-channel activities to net Na(+) fluxes. N-phenylanthranilic acid (NPAA), ouabain, BaCl(2) and bumetanide were used to determine the role of basolateral Na,K-ATPase, apical Cl(-)-channel, and basolateral K(+)-channel and Na(+)(K(+))2Cl(-)-cotransporter activities, respectively, in active ion transport across RCrECL. I(sc) of RCrECL derived from pigmented rabbits was comprised of 64+/-2% and 44+/-5% for active Na(+) and Cl(-) transport, respectively, consistent with net Na(+) absorption and Cl(-) secretion of 0.062+/-0.006 and 0.046+/-0.008 muEq/cm(2)/hr estimated from radionuclide fluxes. Apical amiloride and benzamil inhibited I(sc) by up to approximately 50% with an IC(50) of 1 and 0.1 microm, respectively, consistent with participation of apical epithelial Na(+)-channels to net Na(+) absorption across RCrECL cultured from pigmented rabbits. Addition of ouabain to the basolateral, NPAA to the apical, BaCl(2) to the basolateral and bumetanide to basolateral fluid decreased I(sc) by 86+/-1.5%, 53+/-3%, 18+/-1.8% and 13+/-1.9% in RCr

Mathematical modelling for magnetite (crude removal from primary heat transfer loop by ion-exchange resins

Directory of Open Access Journals (Sweden)

Zeeshan Nawaz

2009-04-01

Full Text Available The present research focuses to develop mathematical model for the removal of iron (magnetite by ion-exchange resin from primary heat transfer loop of process industries. This mathematical model is based on operating capacities (that’s provide more effective design as compared to loading capacity from static laboratory tests. Results showed non-steady state distribution of external Fe2+ and limitations imposed on operating conditions, these conditions includes; loading and elution cycle time, flow rate, concentration of both loading and removal, volume of resin required. Number of generalized assumptions was made under shortcut modeling techniques to overcome the gap of theoretical and actual process design.

Study on charge transfer reaction of several organic molecules with accelerated rare gas ions

International Nuclear Information System (INIS)

Takahasi, Makoto; Okuda, Sachiko; Arai, Eiichi; Ichinose, Akira; Takakubo, Masaaki.

1984-01-01

Observing the charge transfer mass spectra of ethylbenzene, cyclobutane and methanol in Ar and Xe ion impacts, we investigated the dependence of the secondary ion peak intensities (normalized to primary ion current and target pressure) on the translational energy of primary ions (0-3500 eV).In the case of ethylbenzene, several maxima of the secondary i on peak intensities were observed in Ar and Xe ion impacts. The correlation between the maxima and the primary ion energy was examined in terms of near adiabatic theory of Massey. Supplementary studies on the energy distribution of primary ion, charge transfer cross section between methanol and Xe ion, and final product analysis in rare gas ion irradiation on cyclobutane were described. (author)

Laser ion source with solenoid for Brookhaven National Laboratory-electron beam ion source.

Science.gov (United States)

Kondo, K; Yamamoto, T; Sekine, M; Okamura, M

2012-02-01

The electron beam ion source (EBIS) preinjector at Brookhaven National Laboratory (BNL) is a new heavy ion-preinjector for relativistic heavy ion collider (RHIC) and NASA Space Radiation Laboratory (NSRL). Laser ion source (LIS) is a primary ion source provider for the BNL-EBIS. LIS with solenoid at the plasma drift section can realize the low peak current (∼100 μA) with high charge (∼10 nC) which is the BNL-EBIS requirement. The gap between two solenoids does not cause serious plasma current decay, which helps us to make up the BNL-EBIS beamline.

Laser ion source with solenoid for Brookhaven National Laboratory-electron beam ion source

International Nuclear Information System (INIS)

Kondo, K.; Okamura, M.; Yamamoto, T.; Sekine, M.

2012-01-01

The electron beam ion source (EBIS) preinjector at Brookhaven National Laboratory (BNL) is a new heavy ion-preinjector for relativistic heavy ion collider (RHIC) and NASA Space Radiation Laboratory (NSRL). Laser ion source (LIS) is a primary ion source provider for the BNL-EBIS. LIS with solenoid at the plasma drift section can realize the low peak current (∼100 μA) with high charge (∼10 nC) which is the BNL-EBIS requirement. The gap between two solenoids does not cause serious plasma current decay, which helps us to make up the BNL-EBIS beamline.

Laser ion source with solenoid for Brookhaven National Laboratory-electron beam ion sourcea)

Science.gov (United States)

Kondo, K.; Yamamoto, T.; Sekine, M.; Okamura, M.

2012-02-01

The electron beam ion source (EBIS) preinjector at Brookhaven National Laboratory (BNL) is a new heavy ion-preinjector for relativistic heavy ion collider (RHIC) and NASA Space Radiation Laboratory (NSRL). Laser ion source (LIS) is a primary ion source provider for the BNL-EBIS. LIS with solenoid at the plasma drift section can realize the low peak current (˜100 μA) with high charge (˜10 nC) which is the BNL-EBIS requirement. The gap between two solenoids does not cause serious plasma current decay, which helps us to make up the BNL-EBIS beamline.

Collisions of benzene and buckminsterfullerene at fluorinated and non-fluorinated self-assembled monolayer films

International Nuclear Information System (INIS)

Wysocki, V.H.; Ding, H.M.; Kane, T.E.; Somogyi, A.; Callahan, J.H.

1992-01-01

It has been illustrated that a variety of analytically-useful processes occur upon low-energy (eV) collisions of mass-selected polyatomic ions with a surface. These include surface induced dissociation, reactive collisions of projectile ions with surface adsorbates, and chemical sputtering. The goal of the research described here is to investigate the ion-surface chemistry that is detected when C 6 H 6 + , C 6 D 6 + , C 6 H 5 F + , C 60 + , and C 60 ++ collide with a well-characterized surface at collision energies of 10-100 eV

Photodissociation dynamics of polyatomic molecules

Energy Technology Data Exchange (ETDEWEB)

Zhao, Hequan [Iowa State Univ., Ames, IA (United States)

1998-02-23

This report consists of five studies as follows: A laser photofragmentation time-of-flight mass spectrometric study of acetophenone at 193 and 248 nm; A 193 nm laser photofragmentation time-of-flight mass spectrometric study of dimethylsulfoxide; 193 nm laser photofragmentation time-of-flight mass spectrometric study of HSCH₂CH₂SH; Thiophene biradical decay of the primary laser photofragmentation product at 193 nm; and Scattering cross sections for O(³P)[SO(X,³Σ^-)] + He[Ne, Ar, Kr]. Chapters are included for the introduction and general conclusions.

Final Report

Energy Technology Data Exchange (ETDEWEB)

McLuckey, Scott [Purdue Univ., West Lafayette, IN (United States)

2016-08-30

The overall objectives of this research effort were to expand the capabilities of spectroscopic and ion chemistry tools for the structural characterization of polyatomic ions of relevance to the broad mission of the Department of Energy. Mass spectrometry currently plays an important role in virtually all of the molecular sciences by virtue of the value of the accurate measurement of mass and the structural information that can be derived from various structural probes based on, for example, ion chemistry, ion mobility, and ion spectroscopy. Mass spectrometry has long played important roles in supporting the missions of the Department of Energy and its predecessor agencies, particularly in the area of isotopic analysis of nuclides. Molecular mass spectrometry has played increasingly important roles is many aspects of the production and use of energy as the nation has diversified its energy portfolio. There is an ongoing need for the expansion of the measurement capabilities associated with molecular mass spectrometry that involves both technological developments as well as improved understanding of the chemical and physical processes that take place upon ionization and ion analysis in a mass spectrometer. Advances in mass spectrometry have impacted science broadly and further advances will be required to meet the needs of current energy and environmental research. This program has historically focused on the structural characterization of polyatomic ions, usually within the context of a tandem mass spectrometry experiment. A wide variety of physical and chemical processes can take place within a mass spectrometer and advantage can be taken of such processes to enhance the quality and quantity of information that can be derived for a given chemical system of interest. For example, ions can undergo interactions with neutral molecules/atoms, light, surfaces, electrons, or oppositely charged ions. The outcomes of all such interactions can be sensitive to the structures

Integration of Lithium-Ion Battery Storage Systems in Hydroelectric Plants for Supplying Primary Control Reserve

Directory of Open Access Journals (Sweden)

Fabio Bignucolo

2017-01-01

Full Text Available The ever-growing diffusion of renewables as electrical generation sources is forcing the electrical power system to face new and challenging regulation problems to preserve grid stability. Among these, the primary control reserve is reckoned to be one of the most important issues, since the introduction of generators based on renewable energies and interconnected through static converters, if relieved from the primary reserve contribution, reduces both the system inertia and the available power reserve in case of network events involving frequency perturbations. In this scenario, renewable plants such as hydroelectric run-of-river generators could be required to provide the primary control reserve ancillary service. In this paper, the integration between a multi-unit run-of-river power plant and a lithium-ion based battery storage system is investigated, suitably accounting for the ancillary service characteristics as required by present grid codes. The storage system is studied in terms of maximum economic profitability, taking into account its operating constraints. Dynamic simulations are carried out within the DIgSILENT PowerFactory 2016 software environment in order to analyse the plant response in case of network frequency contingencies, comparing the pure hydroelectric plant with the hybrid one, in which the primary reserve is partially or completely supplied by the storage system. Results confirm that the battery storage system response to frequency perturbations is clearly faster and more accurate during the transient phase compared to a traditional plant, since time delays due to hydraulic and mechanical regulations are overpassed. A case study, based on data from an existing hydropower plant and referring to the Italian context in terms of operational constraints and ancillary service remuneration, is presented.

Localization of transient receptor potential ion channels in primary and motile cilia of the female murine reproductive organs

DEFF Research Database (Denmark)

Teilmann, Stefan C.; Byskov, Anne Grete; Pedersen, Per Amstrup

2005-01-01

We have examined the subcellular localization of transient receptor potential (TRP) ion channels and the potential sensory role of cilia in murine female reproductive organs using confocal laser scanning microscopy analysis on ovary and oviduct tissue sections as well as on primary cultures...... of follicular granulosa cells. We show that the Ca2+ permeable cation channel, polycystin-2, as well as polycystin-1, a receptor that forms a functional protein complex with polycystin 2, distinctively localize to primary cilia emerging from granulosa cells of antral follicles in vivo and in vitro. Both...... polycystins are localized to motile oviduct cilia and this localization is greatly increased upon ovulatory gonadotropic stimulation. Further, the Ca2+ permeable cation channel, TRP vaniloid 4 (TRPV4), localizes to a sub-population of motile cilia on the epithelial cells of the ampulla and isthmus with high...

Ion optics of RHIC EBIS

Energy Technology Data Exchange (ETDEWEB)

Pikin, A.; Alessi, J.; Beebe, E.; Kponou, A.; Okamura, M.; Raparia, D.; Ritter, J.; Tan, Y.; Kuznetsov, G.

2011-09-10

RHIC EBIS has been commissioned to operate as a versatile ion source on RHIC injection facility supplying ion species from He to Au for Booster. Except for light gaseous elements RHIC EBIS employs ion injection from several external primary ion sources. With electrostatic optics fast switching from one ion species to another can be done on a pulse to pulse mode. The design of an ion optical structure and the results of simulations for different ion species are presented. In the choice of optical elements special attention was paid to spherical aberrations for high-current space charge dominated ion beams. The combination of a gridded lens and a magnet lens in LEBT provides flexibility of optical control for a wide range of ion species to satisfy acceptance parameters of RFQ. The results of ion transmission measurements are presented.

Influence of hydrocarbons on element detection in ion images by SIMS microscopy

Energy Technology Data Exchange (ETDEWEB)

Takaya, Kenichi; Okabe, Motonori; Sawataishi, Masaru; Yoshida, Toshiko

2004-06-15

Ion microscopy on fresh frozen cryostat sections, 5-10 {mu}m thick, is useful to determine the distribution of elements and low molecular organic compounds in the larger areas of the tissues. Fresh frozen cryostat sections of tree frog eyeball were examined. Secondary ion images of Na, Mg, Al, C{sub 2}H{sub 3}, K, Ca and C{sub 3}H{sub 5} were observed by ion microscopy (IMS-6f) using O{sub 2}{sup +} as the primary beam source at an energy of 15 keV. The primary beam current was 10{sup -10} A, the ion image magnification was varied from 300 to 1500 and the mass resolution was set between 300 and 3000. The areas of high intensity ion counts of the organic compounds generally showed low ion counts of elements. After long exposure to the primary ion beam, the intensity of the organic compound ions decreased, whereas the intensity of atomic ions of elements increased.

Cross sections and oscillator strengths for electron-impact excitation of electronic states in polyatomic molecules. Application examples of the BEf- scaling model in optically-allowed transitions

International Nuclear Information System (INIS)

Kato, H.; Kawahara, H.; Hoshino, M.

2009-12-01

Integral cross sections for optically allowed electronic-state excitations by electron impact, are reviewed for polyatomic molecules by applying the Binary-Encounter-Bethe (BEB) scaling model. Following the context of the present review, the scaling model originally proposed by Yong-Ki Kim to determine electron-impact cross sections for ionization of atoms and molecules is also summarized briefly for its wide range of applications [Electron-Impact Cross Section Database, NIST, Y.-K. Kim]. The present report not only focuses on the need for the cross-section data, but also elucidates the verification of the scaling model in the general application for atoms and molecules. Since this report is for a data base, it is summarized for data base users by citing (copying) the descriptions in the original papers and the references within those papers in the style of a textbook. (author)

Charge-transfer collisions for polarized ion sources

International Nuclear Information System (INIS)

Schlachter, A.S.

1983-06-01

Charge-transfer processes relevant to polarized ion sources are discussed and results are summarized. The primary atom discussed is hydrogen, with particulr emphasis on H - formation. Heavier negative ions are briefly discussed

Mechanism and models for collisional energy transfer in highly excited large polyatomic molecules

International Nuclear Information System (INIS)

Gilbert, R. G.

1995-01-01

Collisional energy transfer in highly excited molecules (say, 200-500 kJ mol -1 above the zero-point energy of reactant, or of product, for a recombination reaction) is reviewed. An understanding of this energy transfer is important in predicting and interpreting the pressure dependence of gas-phase rate coefficients for unimolecular and recombination reactions. For many years it was thought that this pressure dependence could be calculated from a single energy-transfer quantity, such as the average energy transferred per collision. However, the discovery of 'super collisions' (a small but significant fraction of collisions which transfer abnormally large amounts of energy) means that this simplistic approach needs some revision. The 'ordinary' (non-super) component of the distribution function for collisional energy transfer can be quantified either by empirical models (e.g., an exponential-down functional form) or by models with a physical basis, such as biased random walk (applicable to monatomic or diatomic collision partners) or ergodic (for polyatomic collision partners) treatments. The latter two models enable approximate expressions for the average energy transfer to be estimated from readily available molecular parameters. Rotational energy transfer, important for finding the pressure dependence for recombination reactions, can for these purposes usually be taken as transferring sufficient energy so that the explicit functional form is not required to predict the pressure dependence. The mechanism of 'ordinary' energy transfer seems to be dominated by low-frequency modes of the substrate, whereby there is sufficient time during a vibrational period for significant energy flow between the collision partners. Super collisions may involve sudden energy flow as an outer atom of the substrate is squashed between the substrate and the bath gas, and then is moved away from the interaction by large-amplitude motion such as a ring vibration or a rotation; improved

Revised data taking schedule with ion beams

CERN Document Server

Gazdzicki, Marek; Aduszkiewicz, A; Andrieu, B; Anticic, T; Antoniou, N; Argyriades, J; Asryan, A G; Baatar, B; Blondel, A; Blumer, J; Boldizsar, L; Bravar, A; Brzychczyk, J; Bubak, A; Bunyatov, S A; Choi, K U; Christakoglou, P; Chung, P; Cleymans, J; Derkach, D A; Diakonos, F; Dominik, W; Dumarchez, J; Engel, R; Ereditato, A; Feofilov, G A; Fodor, Z; Ferrero, A; Gazdzicki, M; Golubeva, M; Grebieszkow, K; Grzeszczuk, A; Guber, F; Hasegawa, T; Haungs, A; Igolkin, S; Ivanov, A S; Ivashkin, A; Kadija, K; Katrynska, N; Kielczewska, D; Kikola, D; Kisiel, J; Kobayashi, T; Kolesnikov, V I; Kolev, D; Kolevatov, R S; Kondratiev, V P; Kowalski, S; Kurepin, A; Lacey, R; Laszlo, A; Lyubushkin, V V; Majka, Z; I Malakhov, A; Marchionni, A; Marcinek, A; Maris, I; Matveev, V; Melkumov, G L; Meregaglia, A; Messina, M; Mijakowski, P; Mitrovski, M; Montaruli, T; Mrówczynski, St; Murphy, S; Nakadaira, T; Naumenko, P A; Nikolic, V; Nishikawa, K; Palczewski, T; Pálla, G; Panagiotou, A D; Peryt, W; Planeta, R; Pluta, J; Popov, B A; Posiadala, M; Przewlocki, P; Rauch, W; Ravonel, M; Renfordt, R; Röhrich, D; Rondio, E; Rossi, B; Roth, M; Rubbia, A; Rybczynski, M; Sadovskii, A; Sakashita, K; Schuster, T; Sekiguchi, T; Seyboth, P; Shibata, M; Sissakian, A N; Skrzypczak, E; Slodkowski, M; Sorin, A S; Staszel, P; Stefanek, G; Stepaniak, J; Strabel, C; Ströbele, H; Susa, T; Szentpétery, I; Szuba, M; Tada, M; Taranenko, A; Tsenov, R; Ulrich, R; Unger, M; Vassiliou, M; Vechernin, V V; Vesztergombi, G; Wlodarczyk, Z; Wojtaszek, A; Zipper, W; CERN. Geneva. SPS and PS Experiments Committee; SPSC

2009-01-01

This document presents the revised data taking schedule of NA61 with ion beams. The revision takes into account limitations due to the new LHC schedule as well as final results concerning the physics performance with secondary ion beams. It is proposed to take data with primary Ar and Xe beams in 2012 and 2014, respectively, and to test and use for physics a secondary B beam from primary Pb beam fragmentation in 2010, 2011 and 2013.

Theoretical Investigation of Spectral-Interferences of Cadmium Isotopes in ICP-MS

International Nuclear Information System (INIS)

Rashad, A.M.; Rashad, A.M.

2015-01-01

Thermal properties of polyatomic ions which can interfere with cadmium during the analysis process using the inductively coupled plasma mass spectrometer ICP-MS are studied. Ionization energies and heats of formation, of the selected species at 0 K and 298 K of the expected reactions to occur under the effect of plasma conditions in ICP-MS, are calculated using Gaussian 03

Electrochemical evidences and consequences of significant differences in ions diffusion rate in polyacrylate-based ion-selective membranes.

Science.gov (United States)

Woźnica, Emilia; Mieczkowski, Józef; Michalska, Agata

2011-11-21

The origin and effect of surface accumulation of primary ions within the ion-selective poly(n-butyl acrylate)-based membrane, obtained by thermal polymerization, is discussed. Using a new method, based on the relation between the shape of a potentiometric plot and preconditioning time, the diffusion of copper ions in the membrane was found to be slow (the diffusion coefficient estimated to be close to 10(-11) cm(2) s(-1)), especially when compared to ion-exchanger counter ions--sodium cations diffusion (a diffusion coefficient above 10(-9) cm(2) s(-1)). The higher mobility of sodium ions than those of the copper-ionophore complex results in exposed ion-exchanger role leading to undesirably exposed sensitivity to sodium or potassium ions.

Computer simulation of scattered ion and sputtered species effects in ion beam sputter-deposition of high temperature superconducting thin films

International Nuclear Information System (INIS)

Krauss, A.R.; Auciello, O.

1992-01-01

Ion beam sputter-deposition is a technique currently used by many groups to produce single and multicomponent thin films. This technique provides several advantages over other deposition methods, which include the capability for yielding higher film density, accurate stoichiometry control, and smooth surfaces. However, the relatively high kinetic energies associated with ion beam sputtering also lead to difficulties if the process is not properly controlled. Computer simulations have been performed to determine net deposition rates, as well as the secondary erosion, lattice damage, and gas implantation in the films, associated with primary ions scattered from elemental Y, Ba and Cu targets used to produce high temperature superconducting Y-Ba-Cu-O films. The simulations were performed using the TRIM code for different ion masses and kinetic energies, and different deposition geometries. Results are presented for primary beams of Ar + , Kr + and Xe + incident on Ba and Cu targets at 0 degrees and 45 degrees with respect to the surface normal, with the substrate positioned at 0 degrees and 45 degrees. The calculations indicate that the target composition, mass and kinetic energy of the primary beam, angle of incidence on the target, and position and orientation of the substrate affect the film damage and trapped primary beam gas by up to 5 orders of magnitude

Negative ion formation processes: A general review

International Nuclear Information System (INIS)

Alton, G.D.

1990-01-01

The principal negative ion formation processes will be briefly reviewed. Primary emphasis will be placed on the more efficient and universal processes of charge transfer and secondary ion formation through non-thermodynamic surface ionization. 86 refs., 20 figs

An inductively heated hot cavity catcher laser ion source

CERN Document Server

Reponen, M; Pohjalainen, I; Rothe, S; Savonen, M; Sonnenschein, V; Voss, A

2015-01-01

An inductively heated hot cavity catcher has been constructed for the production of low-energy ion beams of exotic, neutron-deficient Agisotopes. A proof-of-principle experiment has been realized by implanting primary 107Ag21+ ions from a heavy-ion cyclotron into a graphite catcher. A variable-thickness nickel foil was used to degrade the energy of the primary beam in order to mimic the implantation depth expected from the heavy-ion fusion-evaporation recoils of N = Z94Ag. Following implantation, the silver atoms diffused out of the graphite and effused into the catcher cavity and transfer tube, where they were resonantly laser ionized using a three-step excitation and ionization scheme. Following mass separation, the ions were identified by scanning the frequency of the first resonant excitation step while recording the ion count rate. Ion release time profiles were measured for different implantation depths and cavity temperatures with the mean delay time varying from 10 to 600 ms. In addition, the diffusio...

Electron string ion sources for carbon ion cancer therapy accelerators

Science.gov (United States)

Boytsov, A. Yu.; Donets, D. E.; Donets, E. D.; Donets, E. E.; Katagiri, K.; Noda, K.; Ponkin, D. O.; Ramzdorf, A. Yu.; Salnikov, V. V.; Shutov, V. B.

2015-08-01

The type of the Electron String Ion Sources (ESIS) is considered to be the appropriate one to produce pulsed C4+ and C6+ ion beams for cancer therapy accelerators. In fact, the new test ESIS Krion-6T already now provides more than 1010 C4+ ions per pulse and about 5 × 109 C6+ ions per pulse. Such ion sources could be suitable to apply at synchrotrons. It has also been found that Krion-6T can provide more than 1011 C6+ ions per second at the 100 Hz repetition rate, and the repetition rate can be increased at the same or larger ion output per second. This makes ESIS applicable at cyclotrons as well. ESIS can be also a suitable type of ion source to produce the 11C radioactive ion beams. A specialized cryogenic cell was experimentally tested at the Krion-2M ESIS for pulse injection of gaseous species into the electron string. It has been shown in experiments with stable methane that the total conversion efficiency of methane molecules to C4+ ions reached 5%÷10%. For cancer therapy with simultaneous irradiation and precise dose control (positron emission tomography) by means of 11C, transporting to the tumor with the primary accelerated 11C4+ beam, this efficiency is preliminarily considered to be large enough to produce the 11C4+ beam from radioactive methane and to inject this beam into synchrotrons.

Ion bombardment modification of surfaces

International Nuclear Information System (INIS)

Auciello, O.

1984-01-01

An historical overview of the main advances in the understanding of bombardment-induced surface topography is presented. The implantation and sputtering mechanisms which are relevant to ion bombardment modification of surfaces and consequent structural, electronic and compositional changes are described. Descriptions of plasma and ion-beam sputtering-induced film formation, primary ion-beam deposition, dual beam techniques, cluster of molecule ion-beam deposition, and modification of thin film properties by ion bombardment during deposition are presented. A detailed account is given of the analytical and computational modelling of topography from the viewpoint of first erosion theory. Finally, an account of the possible application and/or importance of textured surfaces in technologies and/or experimental techniques not considered in previous chapters is presented. refs.; figs.; tabs

Field tests experience from 1.6MW/400kWh Li-ion battery energy storage system providing primary frequency regulation service

DEFF Research Database (Denmark)

Swierczynski, Maciej Jozef; Stroe, Daniel Ioan; Stan, Ana-Irina

2013-01-01

Lithium-ion battery energy storage systems (BESSs) represent suitable alternatives to conventional generating units for providing primary frequency regulation on the Danish market. This paper presents aspects concerning the operation of the BESSs in the Danish energy market while providing upwards...... on the BESS demonstrator located in Western Denmark and initial results are introduced and discussed. These measurements can be used to validate models for battery ageing during realistic operation or to develop the diagnostic tools for the BESS....

Decontamination of primary cooling system

International Nuclear Information System (INIS)

Morikawa, Yoshitake.

1985-01-01

Purpose: To effectively eliminate radioactivity accumulated in pipeways, equipments, etc in primary coolant circuits of BWR type power plants by utilizing ion displacement reactions. Method: The reactor pressure vessel is connected with a feedwater pipeway, steam pipeway and a recycling pipeway. The recycling pipeway is disposed with a recycling pump. A recycling by-pass line is branched from the recycling pipeway and disposed with a recycling system heat exchanger and chemical injection point. Water is filled in the primary coolant and heated 280 0 C. Then, while maintaining water at that temperature, non-radioactive cobalt ions are injected and circulated within the system, by which radioactivity accumulated in pipeways, equipments or the likes can effectively be removed. (Horiuchi, T.)

Electron string ion sources for carbon ion cancer therapy accelerators

Energy Technology Data Exchange (ETDEWEB)

Boytsov, A. Yu.; Donets, D. E.; Donets, E. D.; Donets, E. E.; Ponkin, D. O.; Ramzdorf, A. Yu.; Salnikov, V. V.; Shutov, V. B. [Joint Institute for Nuclear Research, Dubna 141980 (Russian Federation); Katagiri, K.; Noda, K. [National Institute of Radiological Science, 4-9-1 Anagawa, Inage-ku, Chiba 263-8555 (Japan)

2015-08-15

The type of the Electron String Ion Sources (ESIS) is considered to be the appropriate one to produce pulsed C{sup 4+} and C{sup 6+} ion beams for cancer therapy accelerators. In fact, the new test ESIS Krion-6T already now provides more than 10{sup 10} C{sup 4+} ions per pulse and about 5 × 10{sup 9} C{sup 6+} ions per pulse. Such ion sources could be suitable to apply at synchrotrons. It has also been found that Krion-6T can provide more than 10{sup 11} C{sup 6+} ions per second at the 100 Hz repetition rate, and the repetition rate can be increased at the same or larger ion output per second. This makes ESIS applicable at cyclotrons as well. ESIS can be also a suitable type of ion source to produce the {sup 11}C radioactive ion beams. A specialized cryogenic cell was experimentally tested at the Krion-2M ESIS for pulse injection of gaseous species into the electron string. It has been shown in experiments with stable methane that the total conversion efficiency of methane molecules to C{sup 4+} ions reached 5%÷10%. For cancer therapy with simultaneous irradiation and precise dose control (positron emission tomography) by means of {sup 11}C, transporting to the tumor with the primary accelerated {sup 11}C{sup 4+} beam, this efficiency is preliminarily considered to be large enough to produce the {sup 11}C{sup 4+} beam from radioactive methane and to inject this beam into synchrotrons.

Comparison of Se and Te clusters produced by ion bombardment

Directory of Open Access Journals (Sweden)

Trzyna Małgorzata

2017-01-01

Full Text Available Nanostructures based on tellurium and selenium are materials used as components for the manufacturing topological insulators. Therefore it is crucial to precisely characterize these materials. In this work the emission of selenium and tellurium cluster ions, sputtered by Bi+ primary ion guns, was investigated by using Time-of-Flight Secondary Ion Mass Spectrometry (TOF SIMS. It has been found that BixTex and BixSex clusters appear in addition to Sex and Tex clusters in the mass range up to ~ 1300 m/z. Local maxima or minima (magic numbers are observed in the ion intensity versus a number of atoms per cluster for both positive and negative ions spectra for all types of clusters and primary ions used. These extrema can be attributed to different yield and stability of certain clusters but also to fragmentation of high-mass clusters.

Comparison of Se and Te clusters produced by ion bombardment

Science.gov (United States)

Trzyna, Małgorzata

2017-01-01

Nanostructures based on tellurium and selenium are materials used as components for the manufacturing topological insulators. Therefore it is crucial to precisely characterize these materials. In this work the emission of selenium and tellurium cluster ions, sputtered by Bi+ primary ion guns, was investigated by using Time-of-Flight Secondary Ion Mass Spectrometry (TOF SIMS). It has been found that BixTex and BixSex clusters appear in addition to Sex and Tex clusters in the mass range up to 1300 m/z. Local maxima or minima (magic numbers) are observed in the ion intensity versus a number of atoms per cluster for both positive and negative ions spectra for all types of clusters and primary ions used. These extrema can be attributed to different yield and stability of certain clusters but also to fragmentation of high-mass clusters.

Electron collisions and rovibrational action spectroscopy of cold H3+ molecules

International Nuclear Information System (INIS)

Kreckel, H; Petrignani, A; Berg, M; Bing, D; Reinhardt, S; Altevogt, S; Buhr, H; Froese, M; Hoffmann, J; Jordon-Thaden, B; Krantz, C; Lestinsky, M; Mendes, M; Novotny, O; Novotny, S; Pedersen, H B; Orlov, D A; Mikosch, J; Wester, R; Plasil, R; GlosIk, J; Schwalm, D; Zajfman, D; Wolf, A

2007-01-01

Electron recombination of H 3 + has found a lot of attention due to its outstanding relevance for the chemistry of the interstellar medium (ISM) and its role as a benchmark for the treatment of dissociative recombination (DR) of polyatomic ions. We report DR measurements performed at the TSR storage ring utilizing a cryogenic ion trap injector. Furthermore, a chemical probing spectroscopy technique is described that allows for a very sensitive monitoring of the populated states inside the ion injector. Since H 3 + exists in two different nuclear spin modifications, a controlled manipulation of the ortho/para fraction is needed in order to perform state-selective measurements

Proposal for secondary ion beams and update of data taking schedule for 2009-2013

CERN Document Server

Abgrall, N; Andrieu, B; Anticic, T; Antoniou, N; Argyriades, J; Asryan, A G; Baatar, B; Blondel, A; Blumer, J; Boldizsar, L; Bravar, A; Brzychczyk, J; Bunyatov, S A; Choi, K U; Christakoglou, P; Chung, P; Cleymans, J; Derkach, D A; Diakonos, F; Dominik, W; Dumarchez, J; Engel, R; Ereditato, A; Feofilov, G A; Ferrero, A; Fodor, Z; Gazdzicki, M; Golubeva, M; Grebieszkow, K; Guber, F; Hasegawa, T; Haungs, A; Hess, M; Igolkin, S; Ivanov, A S; Ivashkin, A; Kadija, K; Katrynska, N; Kielczewska, D; Kikola, D; Kim, J H; Kobayashi, T; Kolesnikov, V I; Kolev, D; Kolevatov, R S; Kondratiev, V P; Kurepin, A; Lacey, R; Laszlo, A; Lehmann, S; Lungwitz, B; Lyubushkin, V V; Maevskaya, A; Majka, Z; Malakhov, A I; Marchionni, A; Marcinek, A; Maris, I; Matveev, V; Melkumov, G L; Meregaglia, A; Messina, M; Meurer, C; Mijakowski, P; Mitrovski, M; Montaruli, T; Mrówczynski, St; Murphy, S; Nakadaira, T; Naumenko, P A; Nikolic, V; Nishikawa, K; Palczewski, T; Pálla, G; Panagiotou, A D; Peryt, W; Petridis, A; Planeta, R; Pluta, J; Popov, B A; Posiadala, M; Przewlocki, P; Rauch, W; Ravonel, M; Renfordt, R; Röhrich, D; Rondio, E; Rossi, B; Roth, M; Rubbia, A; Rybczynski, M; Sadovskii, A; Sakashita, K; Schuster, T; Sekiguchi, T; Seyboth, P; Shileev, K; Sissakian, A N; Skrzypczak, E; Slodkowski, M; Sorin, A S; Staszel, P; Stefanek, G; Stepaniak, J; Strabel, C; Ströbele, H; Susa, T; Szentpétery, I; Szuba, M; Taranenko, A; Tsenov, R; Ulrich, R; Unger, M; Vassiliou, M; Vechernin, V V; Vesztergombi, G; Wlodarczyk, Z; Wojtaszek, A; Yi, J G; Yoo, I K; CERN. Geneva. SPS and PS Experiments Committee; SPSC

2009-01-01

This document presents the proposal for secondary ion beams and the updated data taking schedule of the NA61 Collaboration. The modification of the original NA61 plans is necessary in order to reach compatibility between the current I-LHC and NA61 schedules. It assumes delivery of primary proton beam in 2009-2012 and of primary lead beam in 2011-2013. The primary lead beam will be fragmented into a secondary beam of lighter ions. The modified H2 beam line will serve as a fragment separator to produce the light ion species for NA61 data taking. The expected physics performance of the NA61 experiment with secondary ion beams will be sufficient to reach the primary NA61 physics goals.

Conceptual design of a calorimeter and residual ion dump for the ITER negative ion injectors

International Nuclear Information System (INIS)

Watson, M.

1998-01-01

A conceptual design for the ITER Negative Ion Injectors' Calorimeter and Residual Ion Dump systems has been carried out. The work was undertaken in support of detailed studies performed by the Russian Federation. Concepts for both systems incorporate actively water cooled hypervapotrons as the primary beam stopping elements. The Calorimeter drive has been based on the utilisation of a novel force translation system via magnetic coupling. The Residual Ion Dump necessitates the use of double sided hypervapotron elements in order to cater for the restricted space envelope defined by the Accelerator Grid hole pattern. (author)

DART, a BCA code to assess and compare primary irradiation damage in nuclear materials submitted to neutron and ion flux - 02002

International Nuclear Information System (INIS)

Luneville, L.; Simeone, D.

2016-01-01

When a material is subjected to a flux of high-energy particles, its constituent atoms can be knocked from their equilibrium positions with a wide range of energies, depending on the exact nature of the collision. The spectrum of damage energy, derived from the exact knowledge of the recoil spectra for each nuclear reaction occurring in the solid, constitutes a vital data set required for understanding how materials evolve under irradiation. The knowledge of such damage energy is relevant to compare the impact of different facilities on the structural behavior and relevant properties of materials. The DART code was developed for two distinct reasons: the first one was a correct determination of the Primary Knocked on Atoms (PKA) spectrum from reliable cross section data libraries and the second was a crude estimation of the damage energy induced by different irradiations. This last term can be a quick estimation of radiation damage produced in the same material by different nuclear plants and particle accelerators. Based on the Binary Collision Approximation, this code allows computing the primary spectra produced by neutrons, ions and electrons as well as the damage energy deposited by these particles in a poly atomic material. It is then a tool to compare radiation damage induced in nuclear reactors as well as in ion beam facilities. This brief paper is followed by the slides of the presentation

Influence of ion beam and geometrical parameters on properties of Si thin films grown by Ar ion beam sputtering

Energy Technology Data Exchange (ETDEWEB)

Bundesmann, Carsten; Feder, Rene; Neumann, Horst [Leibniz-Institut fuer Oberflaechenmodifizierung e.V., Leipzig (Germany)

2012-07-01

Ion beam sputtering (IBS) offers, in contrast to other physical vapour deposition techniques, such as magnetron sputtering or electron beam evaporation, the opportunity to change the properties of the layer forming particles (sputtered and scattered particles) by varying ion beam parameters (ion species, ion energy) and geometrical parameters (ion incidence angle, emission angle). Consequently, these effects can be utilized to tailor thin film properties [1]. The goal is to study systematically the correlations between the primary and secondary parameters and, at last, the effects on the properties of Si thin films, such as optical properties, stress, surface topography and composition. First experimental results are presented for Ar-ion sputtering of Si.

Synthesis of ion-exchange resin for selective thorium and uranyl ions sorption

Science.gov (United States)

Konovalov, Konstantin; Sachkov, Victor

2017-11-01

In this work, the method of ion-exchange resin synthesis selective to radionuclides (uranium and thorium) is presented. The method includes synthesis of polymeric styrene-divinylbenzene macroporous matrix with size of 0.1-0.2 mm, and its subsequent transformation by nitration and then reduction by tin (II) chloride. For passivation of active primary amines partially oxidation by oxygen from air is used. Obtained ion-exchange resin has ratio of sorption sum U+Th to sorption sum of other total rare-earth elements as 1:1.88 at ratio of solid to liquid phase 1:200. The proposed method of ion-exchange resin synthesis is scaled-up for laboratory reactors with volume of 5 and 50 liters.

Ion sensing method

Science.gov (United States)

Smith, Richard Harding; Martin, Glenn Brian

2004-05-18

The present invention allows the determination of trace levels of ionic substances in a sample solution (ions, metal ions, and other electrically charged molecules) by coupling a separation method, such as liquid chromatography, with ion selective electrodes (ISE) prepared so as to allow detection at activities below 10.sup.-6 M. The separation method distributes constituent molecules into fractions due to unique chemical and physical properties, such as charge, hydrophobicity, specific binding interactions, or movement in an electrical field. The separated fractions are detected by means of the ISE(s). These ISEs can be used singly or in an array. Accordingly, modifications in the ISEs are used to permit detection of low activities, specifically, below 10.sup.-6 M, by using low activities of the primary analyte (the molecular species which is specifically detected) in the inner filling solution of the ISE. Arrays constructed in various ways allow flow-through sensing for multiple ions.

An algorithm to calculate secondary sputtering by the reflection of ions in two dimensions

International Nuclear Information System (INIS)

Smith, R.; Tagg, M.A.

1986-01-01

A method for computing the secondary sputtering of ions reflected from two-dimensional surfaces is described. The surface contour is first approximated by a set of line segments and the displacement of these line segments under ion erosion is determined computationally, by summing the contributions of the primary and reflected fluxes. This method can be used as an alternative to the method of characteristics which is normally used to determine primary ion beam effects. Some simple examples are evaluated. These examples illustrate that primary surface erosion theory is not in itself sufficient to explain the topography which can exist on an ion-eroded surface, particularly close to steep-sided structures. (author)

Single ion induced surface nanostructures: a comparison between slow highly charged and swift heavy ions.

Science.gov (United States)

Aumayr, Friedrich; Facsko, Stefan; El-Said, Ayman S; Trautmann, Christina; Schleberger, Marika

2011-10-05

This topical review focuses on recent advances in the understanding of the formation of surface nanostructures, an intriguing phenomenon in ion-surface interaction due to the impact of individual ions. In many solid targets, swift heavy ions produce narrow cylindrical tracks accompanied by the formation of a surface nanostructure. More recently, a similar nanometric surface effect has been revealed for the impact of individual, very slow but highly charged ions. While swift ions transfer their large kinetic energy to the target via ionization and electronic excitation processes (electronic stopping), slow highly charged ions produce surface structures due to potential energy deposited at the top surface layers. Despite the differences in primary excitation, the similarity between the nanostructures is striking and strongly points to a common mechanism related to the energy transfer from the electronic to the lattice system of the target. A comparison of surface structures induced by swift heavy ions and slow highly charged ions provides a valuable insight to better understand the formation mechanisms. © 2011 IOP Publishing Ltd

Preparation of a primary argon beam for the CERN fixed target physics.

Science.gov (United States)

Küchler, D; O'Neil, M; Scrivens, R; Thomae, R

2014-02-01

The fixed target experiment NA61 in the North Area of the Super Proton Synchrotron is studying phase transitions in strongly interacting matter. Up to now they used the primary beams available from the CERN accelerator complex (protons and lead ions) or fragmented beams created from the primary lead ion beam. To explore a wider range of energies and densities a request was made to provide primary argon and xenon beams. This paper describes the results of the setting up and 10 week test run of the Ar(11+) beam from the 14.5 GHz ECR ion source and the linear accelerator (Linac3) at CERN.

Preparation of a primary argon beam for the CERN fixed target physics

Energy Technology Data Exchange (ETDEWEB)

Küchler, D., E-mail: detlef.kuchler@cern.ch; O’Neil, M.; Scrivens, R. [CERN, BE Department, 1211 Geneva 23 (Switzerland); Thomae, R. [iThemba LABS, P.O. Box 722, Somerset West 7130 (South Africa)

2014-02-15

The fixed target experiment NA61 in the North Area of the Super Proton Synchrotron is studying phase transitions in strongly interacting matter. Up to now they used the primary beams available from the CERN accelerator complex (protons and lead ions) or fragmented beams created from the primary lead ion beam. To explore a wider range of energies and densities a request was made to provide primary argon and xenon beams. This paper describes the results of the setting up and 10 week test run of the Ar{sup 11+} beam from the 14.5 GHz ECR ion source and the linear accelerator (Linac3) at CERN.

Production processes of multiply charged ions by electron impact

International Nuclear Information System (INIS)

Oda, Nobuo

1980-02-01

First, are compared the foil or gas stripper and the ion sources utilizing electron-atom ionizing collisions, which are practically used or are under development to produce multiply charged ions. A review is made of the fundamental physical parameters such as successive ionization potentials and various ionization cross sections by electron impact, as well as the primary processes in multiply charged ion production. Multiply charged ion production processes are described for the different existing ion sources such as high temperature plasma type, ion-trapping type and discharge type. (author)

Multiplicity of secondary electrons emitted by carbon thin targets by impact of H0, H2+ and H3+ projectiles at MeV energies

International Nuclear Information System (INIS)

Vidovic, Zvonimir

1997-01-01

This work focuses on the study of the emission statistics of secondary electrons from thin carbon foils bombarded with H 0 , H 2 + and H 3 + projectiles in the 0.25 - 2.2 MeV energy range. The phenomenon of secondary electron emission from solids under the impact of swift ions is mainly due to inelastic interactions with target electrons. Phenomenological and theoretical descriptions as well as a summary of the main theoretical models are the subjects of the first chapter. The experimental set-up used to measure event by event the electron emission of the two faces of the thin carbon foils crossed by an energetic projectile is described in the chapter two. In this chapter there are also presented the method and the algorithms used to process experimental spectra in order to obtain the statistical distribution of the emitted electrons. Chapter three presents the measurements of secondary electron emission induced by H 0 atoms passing through thin carbon foils. The secondary electron yields are studied in correlation with emergent projectile charge state. We show the peculiar role of the projectile electron, whether it remains or not bound to the incident proton. The fourth chapter is dedicated to the secondary electron emission induced by H 2 + and H 3 + polyatomic ions. The results are interpreted in terms of collective effects in the interactions of the ions with solids. The role of the proximity of the protons, molecular ions fragments, upon the amplitude of these collected effects is evidenced from the study of the statistics of forward emission. The experiments allowed us to shed light on various aspects of atom and polyatomic ion interactions with solid surfaces. (author)

Corrosion behaviour of low energy, high temperature nitrogen ion ...

Indian Academy of Sciences (India)

primary ions were used and negative secondary ions were detected. A difference in the distribution of the CrN and the alleged N signal was observed and attributed to CrN acting as a diffusion barrier for nitrogen diffusion. It may be noted here that nitrogen does not form stable elemental negative ions [2] and is thus.

Carbon ion radiotherapy for localized primary sarcoma of the extremities: Results of a phase I/II trial

International Nuclear Information System (INIS)

Sugahara, Shinji; Kamada, Tadashi; Imai, Reiko; Tsuji, Hiroshi; Kameda, Noriaki; Okada, Tohru; Tsujii, Hirohiko; Tatezaki, Shinichirou

2012-01-01

Purpose: To determine the effectiveness of carbon ion radiotherapy (CIRT) for localized primary sarcomas of the extremities in a prospective study. Patients and materials: From April 2000 to May 2010, 17 (male/female: 12/5) patients with localized primary sarcoma of the extremities received CIRT. The median age was 53 years (range: 14–87 years). Nine patients had primary diseases and eight had recurrent diseases. Of the 17 patients, eight refused amputation, and the remaining nine refused surgical resection. Tumors were located in the upper limbs in four patients and lower limbs in 13. Histological diagnosis was osteosarcoma in three patients, liposarcoma in two, synovial sarcoma in two, rhabdomyosarcoma in two, pleomorphic sarcoma in two, and miscellaneous in six. The CIRT dose to the limb was 52.8 GyE for one patient, 64 GyE for three, 70.4 GyE for 13 in 16 fixed fractions over 4 weeks. Records were reviewed and outcomes including radiologic response, local control (progression-free), and survival were analyzed. Results: The median follow-up was 37 months (range: 11–97 months). Radiological response rate was 65% (PR in 11, SD in 5, and PD in 1). The local control rate at 5 years was 76%. The overall survival rate at 5 years was 56%. Of the 17 patients, 10 survived without disease progression. Four patients had local recurrences, one was salvaged by repeated CIRT and the other three died due to systemic diseases. Distant failure was observed in six patients. One patient suffered from femoral fracture (grade 3) and received surgical fixation 27 months after CIRT. No other severe reactions (grade 3) were observed. Conclusions: CIRT is suggested to be an effective and safe treatment for patients who refuse surgery for localized primary sarcomas of the extremities.

Determination of trace and ultra-trace elements in Dergaon meteorite by inductively coupled plasma mass spectrometry

International Nuclear Information System (INIS)

Balaram, V.; Gnaneswara Rao, T.; Anjaiah, K.V.; Phukon, N.; Majumdar, A.C.

2003-01-01

In this paper, a detailed methodology for high precision measurement of several trace and ultra-trace elements including REE and PGE have been presented using effective sample preparation techniques and inductively coupled plasma mass spectrometry. Discussion is focussed on aspects, such as total dissolution and recovery of all elements, minimization of oxide and doubly-charged and other polyatomic ion interferences, calibration by matrix matching standards, accuracy and precision

Surface and material analytics based on Dresden-EBIS platform technology

Energy Technology Data Exchange (ETDEWEB)

Schmidt, M., E-mail: mike.schmidt@dreebit.com; König, J., E-mail: mike.schmidt@dreebit.com [DREEBIT GmbH, Grossroehrsdorf (Germany); Bischoff, L. [Helmholtz-Zentrum Dresden-Rossendorf, Dresden (Germany); Pilz, W. [Dresden University of Technology, Dresden (Germany); Zschornack, G. [Helmholtz-Zentrum Dresden-Rossendorf, Dresden, Germany and Dresden University of Technology, Dresden (Germany)

2015-01-09

Nowadays widely used mass spectrometry systems utilize energetic ions hitting a sample and sputter material from the surface of a specimen. The generated secondary ions are separated and detected with high mass resolution to determine the target materials constitution. Based on this principle, we present an alternative approach implementing a compact Electron Beam Ion Source (EBIS) in combination with a Liquid Metal Ion Source (LMIS). An LMIS can deliver heavy elements which generate high sputter yields on a target surface. More than 90% of this sputtered material consists of mono- and polyatomic neutrals. These particles are able to penetrate the magnetic field of an EBIS and they will be ionized within the electron beam. A broad spectrum of singly up to highly charged ions can be extracted depending on the operation conditions. Polyatomic ions will decay during the charge-up process. A standard bending magnet or a Wien filter is used to separate the different ion species due to their mass-to-charge ratio. Using different charge states of ions as it is common with EBIS it is also possible to resolve interfering charge-to-mass ratios of only singly charged ions. Different setups for the realization of feeding the electron beam with sputtered atoms of solids will be presented and discussed. As an example the analysis of a copper surface is used to show high-resolution spectra with low background noise. Individual copper isotopes and clusters with different isotope compositions can be resolved at equal atomic numbers. These results are a first step for the development of a new compact low-cost and high-resolution mass spectrometry system. In a more general context, the described technique demonstrates an efficient method for feeding an EBIS with atoms of nearly all solid elements from various solid target materials. The new straightforward design of the presented setup should be of high interest for a broad range of applications in materials research as well as for

Ion exchange in the nuclear power industry

International Nuclear Information System (INIS)

Lehto, J.

1993-01-01

Ion exchangers are used in many fields in the nuclear power industry. At nuclear power plants, organic ion exchange resins are mainly used for the removal of ionic and particulate contaminants from the primary circuit, condensate and fuel storage pond waters. Ion exchange resins are used for the solidification of low- and medium-active nuclear waste solutions. The number of applications of zeolites, and other inorganic ion exchangers, in the separation of radionuclides from nuclear waste solutions has been increasing since the 1980s. In nuclear fuel reprocessing plants, ion exchange is used for the solidification of low- and medium-active waste solutions, as well as for the partitioning of radioactive elements for further use. (Author)

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.

Application of Titanium Compounds to Reduce Fluoride Ion in Water Resources with High Fluoride Ion Contents

Directory of Open Access Journals (Sweden)

Fariborz Riahi

2005-06-01

Full Text Available The present work describes studies on the sorption of fluoride ions from water by titanium compounds used in water treatment to reduce fluoride content in water resources. There are different methods of reducing fluoride ion in water, each associated with specific problems such as secondary contamination, environmental contamination, high costs, or the need for primary and secondary treatment. In this study, application of titanium sulfate and Metatitanic acid produced from titanium ore concentrate (ileminite is investigated in the removal of fluoride ion and the possibility of complete purification of fluorine containing wastewater is examined to determine the optimal conditions. Metatitanic acid has a great sorption property for fluoride ion. Also titanium sulfate is a suitable and more effective material for this purpose. Efficiency of this material in reducing fluoride ion content is 99.9% and it is possible to refresh sorbet material for reuse without problems arising from Ti+4 ion contamination.

Evaluation of different operational strategies for lithium ion battery systems connected to a wind turbine for primary frequency regulation and wind power forecast accuracy improvement

Energy Technology Data Exchange (ETDEWEB)

Swierczynski, Maciej; Stroe, Daniel Ioan; Stan, Ana Irina; Teodorescu, Remus; Andreasen, Soeren Juhl [Aalborg Univ. (Denmark). Dept. of Energy Technology

2012-07-01

High penetration levels of variable wind energy sources can cause problems with their grid integration. Energy storage systems connected to wind turbine/wind power plants can improve predictability of the wind power production and provide ancillary services to the grid. This paper investigates economics of different operational strategies for Li-ion systems connected to wind turbines for wind power forecast accuracy improvement and primary frequency regulation. (orig.)

Improvement of uniformity of the negative ion beams by tent-shaped magnetic field in the JT-60 negative ion source

International Nuclear Information System (INIS)

Yoshida, Masafumi; Hanada, Masaya; Kojima, Atsushi; Kashiwagi, Mieko; Akino, Noboru; Endo, Yasuei; Komata, Masao; Mogaki, Kazuhiko; Nemoto, Shuji; Ohzeki, Masahiro; Seki, Norikazu; Sasaki, Shunichi; Shimizu, Tatsuo; Terunuma, Yuto; Grisham, Larry R.

2014-01-01

Non-uniformity of the negative ion beams in the JT-60 negative ion source with the world-largest ion extraction area was improved by modifying the magnetic filter in the source from the plasma grid (PG) filter to a tent-shaped filter. The magnetic design via electron trajectory calculation showed that the tent-shaped filter was expected to suppress the localization of the primary electrons emitted from the filaments and created uniform plasma with positive ions and atoms of the parent particles for the negative ions. By modifying the magnetic filter to the tent-shaped filter, the uniformity defined as the deviation from the averaged beam intensity was reduced from 14% of the PG filter to ∼10% without a reduction of the negative ion production

Surface-ionization field mass-spectrometry studies of nonequilibrium surface ionization

International Nuclear Information System (INIS)

Blashenkov, Nikolai M; Lavrent'ev, Gennadii Ya

2007-01-01

The ionization of polyatomic molecules on tungsten and tungsten oxide surfaces is considered for quasiequilibrium or essentially nonequilibrium conditions (in the latter case, the term nonequilibrium surface ionization is used for adsorbate ionization). Heterogeneous reactions are supposed to proceed through monomolecular decay of polyatomic molecules or fragments of multimolecular complexes. The nonequilibrium nature of these reactions is established. The dependences of the current density of disordered ions on the surface temperature, electric field strength, and ionized particle energy distribution are obtained in analytical form. Heterogeneous dissociation energies, the ionization potentials of radicals, and the magnitude of reaction departure from equilibrium are determined from experimental data, as are energy exchange times between reaction products and surfaces, the number of molecules in molecular complexes, and the number of effective degrees of freedom in molecules and complexes. In collecting the data a new technique relying on surface-ionization field mass-spectrometry was applied. (instruments and methods of investigation)

Pattern formation on Ge by low energy ion beam erosion

International Nuclear Information System (INIS)

Teichmann, Marc; Lorbeer, Jan; Frost, Frank; Rauschenbach, Bernd; Ziberi, Bashkim

2013-01-01

Modification of nanoscale surface topography is inherent to low-energy ion beam erosion processes and is one of the most important fields of nanotechnology. In this report a comprehensive study of surface smoothing and self-organized pattern formation on Ge(100) by using different noble gases ion beam erosion is presented. The investigations focus on low ion energies (⩽ 2000 eV) and include the entire range of ion incidence angles. It is found that for ions (Ne, Ar) with masses lower than the mass of the Ge target atoms, no pattern formation occurs and surface smoothing is observed for all angles of ion incidence. In contrast, for erosion with higher mass ions (Kr, Xe), ripple formation starts at incidence angles of about 65° depending on ion energy. At smaller incident angles surface smoothing occurs again. Investigations of the surface dynamics for specific ion incidence angles by changing the ion fluence over two orders of magnitude gives a clear evidence for coarsening and faceting of the surface pattern. Both observations indicate that gradient-dependent sputtering and reflection of primary ions play crucial role in the pattern evolution, just at the lowest accessible fluences. The results are discussed in relation to recently proposed redistributive or stress-induced models for pattern formation. In addition, it is argued that a large angular variation of the sputter yield and reflected primary ions can significantly contribute to pattern formation and evolution as nonlinear and non-local processes as supported by simulation of sputtering and ion reflection. (paper)

Study of the secondary negative ion emission of copper and several of its alloys by impact with Cs+ ions

International Nuclear Information System (INIS)

Vallerand, P.; Baril, M.

1977-01-01

Secondary ion emission studies have been undertaken using Cs + as the primary ion beam. A good vacuum (ca. 10 -8 torr) is needed to eliminate contamination by residual gases. Negative ion emission of pure copper is compared with its alloys. The thermodynamic equilibrium model of Andersen is discussed. For low element concentrations, the experimental data show enhancement in negative emission of P, Al, Fe, Sn, Ni, and attenuation for Zn, Pb. The order of magnitude of ionic efficiency S - for copper is evaluated at 10 -4 . (Auth.)

Oxides with polyatomic anions considered as new electrolyte materials for solid oxide fuel cells (SOFCs)

Energy Technology Data Exchange (ETDEWEB)

Bin Hassan, Oskar Hasdinor

2010-10-21

Materials with Polyatomic anions of [Al{sub 2}O{sub 7}]{sup -8}, [Ti{sub 2}O{sub 8}]{sup -8} and [P{sub 2}O{sub 7}]{sup -4} were investigated with respect to their ionic conductivity properties as well as its thermal expansion properties with the aim to use them as SOFCs electrolytes. The polyatomic anion groups selected from the oxy-cuspidine family of Gd{sub 4}Al{sub 2}O{sub 9} and Gd{sub 4}Ti{sub 2}O{sub 10} as well as from pyrophosphate SnP{sub 2}O{sub 7}. The pure oxy-cuspidine Gd{sub 4}Al{sub 2}O{sub 9}, the series of Gd{sub 4}Al{sub 2-x}Mg{sub x}O{sub 9-x/2} with x=0.10-1.0 and Gd{sub 4-x}M{sub x}Al{sub 2}O{sub 9-x/2} (M=Ca, Sr) with x = 0.05-0.5 were prepared successfully by the citrate complexation method. All samples showed the crystal structure of monoclinic oxycuspidine structure with space group of P2{sub 1/c} and Z=4. No solid solution was observed for Gd{sub 4}Al{sub 2-x}Mg{sub x}O{sub 9-x/2} where additional phases of Gd{sub 2}O{sub 3} and MgO were presence. XRD semiquantitative analysis together with SEM-EDX analysis revealed that Mg{sup 2+} was not able to substitute the Al{sup 3+} ions even at low Mg{sup 2+} concentration. The solid solution limit of Gd{sub 4-x}Ca{sub x}Al{sub 2}O{sub 9-x/2} and Gd{sub 4-x}Sr{sub x}Al{sub 2}O{sub 9-x/2} was determined between 0.05-0.10 and 0.01-0.05 mol for Ca and Sr, respectively. Beyond the substitution limit Gd{sub 4}Al{sub 2}O{sub 9}, GdAlO{sub 3} and SrGd{sub 2}Al{sub 2}O{sub 7} appeared as additional phases. The highest electrical conductivity obtained at 900 C yielded {sigma}= 1.49 x 10{sup -4}Scm{sup -1} for Gd{sub 3.95}Ca{sub 0.05}Al{sub 2}O{sub 8.98}. In comparison, the conductivity of pure Gd{sub 4}Al{sub 2}O{sub 9} was {sigma}= 1.73 x 10{sup -5} Scm{sup -1}. The conductivities determined were in a similar range as those of other cuspidine materials investigated previously. The thermal expansion coefficient of Gd{sub 4}Al{sub 2}O{sub 9} at 1000 C was 7.4 x 10{sup -6}K{sup -1}. The earlier reported

Picomolar detection limits with current-polarized Pb2+ ion-selective membranes.

Science.gov (United States)

Pergel, E; Gyurcsányi, R E; Tóth, K; Lindner, E

2001-09-01

Minor ion fluxes across ion-selective membranes bias submicromolar activity measurements with conventional ion-selective electrodes. When ion fluxes are balanced, the lower limit of detection is expected to be dramatically improved. As proof of principle, the flux of lead ions across an ETH 5435 ionophore-based lead-selective membrane was gradually compensated by applying a few nanoamperes of galvanostatic current. When the opposite ion fluxes were matched, and the undesirable leaching of primary ions was eliminated, Nernstian response down to 3 x 10(-12) M was achieved.

Kinetic energy distributions of ions after surface collisions

International Nuclear Information System (INIS)

Short, R.T.; Todd, P.J.; Grimm, C.C.

1991-01-01

As a part of the development of an organic ion microprobe, to be used for imaging of particular organic compounds in biological tissue, various methods of quadrupole-based tandem mass spectroscopy (MS/MS) have been investigated. High transmission efficiency is essential for the success of the organic ion microprobe, due to expected low analyte concentrations in biological tissue and the potential for sample damage from prolonged exposure to the primary ion beam. MS/MS is necessary for organic ion imaging because of the complex nature of the biological matrices. The goal of these studies of was to optimize the efficiency of daughter ion production and transmission by first determining daughter ion properties and then designing ion optics based on those properties. The properties of main interest are daughter ion kinetic energy and angular distribution. 1 fig

Thin and thick targets for radioactive ion beam production at SPIRAL1 facility

Science.gov (United States)

Jardin, P.; Bajeat, O.; Delahaye, P.; Dubois, M.; Kuchi, V.; Maunoury, L.

2018-05-01

The upgrade of the Système de Production d'Ions Radioactifs Accélérés en Ligne (SPIRAL1) facility will deliver its new Radioactive Ion Beams (RIB) by summer 2017. The goal of the upgrade is an improvement of the performances of the installation in terms of isotopes species and ion charge states [1]. Ion beams are produced using the Isotope Separator On Line Method, consisting in an association of a primary beam of stable ions, a hot target and an ion source. The primary beam impinges on the material of the target. Radioactive isotopes are produced by nuclear reactions and propagate up to the source, where they are ionized and accelerated to create a RIB. One advantage of SPIRAL1 driver is the variety of its available primary beams, from carbon to uranium with energies up to 95 MeV/A. Within the SPIRAL1 upgrade, they will be combined with targets made of a large choice of materials, extending in this way the number of possible nuclear reactions (fusion-evaporation, transfer, fragmentation) for producing a wider range of isotopes, up to regions of the nuclide chart still scarcely explored. Depending on the reaction process, on the collision energy and on the primary beam power, thin and thick targets are used. As their functions can be different, their design must cope with specific constraints which will be described. After a presentation of the goals of present and future SPIRAL1 Target Ion Source System, the main target features, studies and designs under progress are presented.

Multigroup Boltzmann-Fokker-Planck approach for ion transport in amorphous media

Energy Technology Data Exchange (ETDEWEB)

Keen, N.D.; Prinja, A.K.; Dunham, G.D. [New Mexico Univ., Albuquerque, NM (United States). Chemical and Nuclear Engineering Dept.

2001-07-01

We present a MGMC approach for the transport of arbitrary mass ions having energies up to a few MeV. Specifically, we consider interactions with target atoms through Coulomb mediated elastic nuclear and inelastic electronic collisions and restrict considerations to ion implantation and energy deposition of primary ions in amorphous media. (orig.)

Multiplicity of secondary electrons emitted by carbon thin targets by impact of H{sup 0}, H{sub 2}{sup +} and H{sub 3}{sup +} projectiles at MeV energies; Multiplicite des electrons secondaires emis par des cibles minces de carbone sous l`impact de projectiles H{sup 0}, H{sub 2}{sup +} et H{sub 3}{sup +} d`energie de l`ordre du MeV

Energy Technology Data Exchange (ETDEWEB)

Vidovic, Zvonimir [Inst. de Physique Nucleaire, Lyon-1 Univ., 69 - Villeurbanne (France)

1997-06-24

This work focuses on the study of the emission statistics of secondary electrons from thin carbon foils bombarded with H{sup 0}, H{sub 2}{sup +} and H{sub 3}{sup +} projectiles in the 0.25 - 2.2 MeV energy range. The phenomenon of secondary electron emission from solids under the impact of swift ions is mainly due to inelastic interactions with target electrons. Phenomenological and theoretical descriptions as well as a summary of the main theoretical models are the subjects of the first chapter. The experimental set-up used to measure event by event the electron emission of the two faces of the thin carbon foils crossed by an energetic projectile is described in the chapter two. In this chapter there are also presented the method and the algorithms used to process experimental spectra in order to obtain the statistical distribution of the emitted electrons. Chapter three presents the measurements of secondary electron emission induced by H{sup 0} atoms passing through thin carbon foils. The secondary electron yields are studied in correlation with emergent projectile charge state. We show the peculiar role of the projectile electron, whether it remains or not bound to the incident proton. The fourth chapter is dedicated to the secondary electron emission induced by H{sub 2}{sup +} and H{sub 3}{sup +} polyatomic ions. The results are interpreted in terms of collective effects in the interactions of the ions with solids. The role of the proximity of the protons, molecular ions fragments, upon the amplitude of these collected effects is evidenced from the study of the statistics of forward emission. The experiments allowed us to shed light on various aspects of atom and polyatomic ion interactions with solid surfaces. (author) 136 refs., 41 figs., 3 tabs.

High-throughput bioconjugation for enhanced 193 nm photodissociation via droplet phase initiated ion/ion chemistry using a front-end dual spray reactor.

Science.gov (United States)

Cotham, Victoria C; Shaw, Jared B; Brodbelt, Jennifer S

2015-09-15

Fast online chemical derivatization of peptides with an aromatic label for enhanced 193 nm ultraviolet photodissociation (UVPD) is demonstrated using a dual electrospray reactor implemented on the front-end of a linear ion trap (LIT) mass spectrometer. The reactor facilitates the intersection of protonated peptides with a second population of chromogenic 4-formyl-1,3-benzenedisulfonic acid (FBDSA) anions to promote real-time formation of ion/ion complexes at atmospheric pressure. Subsequent collisional activation of the ion/ion intermediate results in Schiff base formation generated via reaction between a primary amine in the peptide cation and the aldehyde moiety of the FBDSA anion. Utilizing 193 nm UVPD as the subsequent activation step in the MS(3) workflow results in acquisition of greater primary sequence information relative to conventional collision induced dissociation (CID). Furthermore, Schiff-base-modified peptides exhibit on average a 20% increase in UVPD efficiency compared to their unmodified counterparts. Due to the efficiency of covalent labeling achieved with the dual spray reactor, we demonstrate that this strategy can be integrated into a high-throughput LC-MS(n) workflow for rapid derivatization of peptide mixtures.

Silver-Ion-Exchanged Nanostructured Zeolite X as Antibacterial Agent with Superior Ion Release Kinetics and Efficacy against Methicillin-Resistant Staphylococcus aureus.

Science.gov (United States)

Chen, Shaojiang; Popovich, John; Iannuzo, Natalie; Haydel, Shelley E; Seo, Dong-Kyun

2017-11-15

As antibiotic resistance continues to be a major public health problem, antimicrobial alternatives have become critically important. Nanostructured zeolites have been considered as an ideal host for improving popular antimicrobial silver-ion-exchanged zeolites, because with very short diffusion path lengths they offer advantages in ion diffusion and release over their conventional microsized zeolite counterparts. Herein, comprehensive studies are reported on materials characteristics, silver-ion release kinetics, and antibacterial properties of silver-ion-exchanged nanostructured zeolite X with comparisons to conventional microsized silver-ion-exchanged zeolite (∼2 μm) as a reference. The nanostructured zeolites are submicrometer-sized aggregates (100-700 nm) made up of primary zeolite particles with an average primary particle size of 24 nm. The silver-ion-exchanged nanostructured zeolite released twice the concentration of silver ions at a rate approximately three times faster than the reference. The material exhibited rapid antimicrobial activity against methicillin-resistant Staphylococcus aureus (MRSA) with minimum inhibitory concentration (MIC) values ranging from 4 to 16 μg/mL after 24 h exposure in various growth media and a minimum bactericidal concentration (MBC; >99.9% population reduction) of 1 μg/mL after 2 h in water. While high concentrations of silver-ion-exchanged nanostructured zeolite X were ineffective at reducing MRSA biofilm cell viability, efficacy increased at lower concentrations. In consideration of potential medical applications, cytotoxicity of the silver-ion-exchanged nanostructured zeolite X was also investigated. After 4 days of incubation, significant reduction in eukaryotic cell viability was observed only at concentrations 4-16-fold greater than the 24 h MIC, indicating low cytotoxicity of the material. Our results establish silver-ion-exchanged nanostructured zeolites as an effective antibacterial material against dangerous

Low-dose ion-based transmission radiography and tomography for optimization of carbon ion-beam therapy

Energy Technology Data Exchange (ETDEWEB)

Magallanes Hernandez, Lorena

2017-02-21

In the last few decades, ion-beam radiotherapy has emerged as a highly effective tumor treatment modality. Its success relies on the capability to precisely confine the prescribed dose within the target volume, due to the inverted depth-dose profile and the finite range featured by charged particles. However, to fully exploit the physical and biological advantages of ion-beams, it is necessary to prioritize on innovative imaging techniques to monitor the ion-range inside the patient. Main range uncertainties result from X-ray-based calibration of the ion relative Water Equivalent Path Length (rWEPL) during the planning phase, and patient anatomical or positioning variation during the treatment. In this thesis, low-dose carbon-ion transmissionimaging performed with a Residual Range Detector (RRD) is proposed as imaging strategy for actively scanned beam delivery facilities. It enables the verification of the beam range and the patient positioning with ion-radiographies (iRAD), and ion computed tomographies (iCT) can directly provide the ion stopping-power of the traversed tissue for treatment planning purposes. First experimental investigations aiming to minimize the imaging dose to the object are presented. The performance of the integration-mode multi-channel array of 61 parallel-plate ionization chambers (PPICs), interleaved with 3 mm thickness PMMA slabs, was thoroughly investigated for low-fluence irradiation. This characterization has been pursued in terms of beam-monitoring performance at the Heidelberg Ion-beam Therapy Center (HIT, Heidelberg, Germany), RRD signal-to-noise ratio (SNR), RRD charge-collection efficiency and drift voltage applied to the PPICs. Pixel-wise metrics for signal quality evaluation based on specific channel-charge features have been developed to support the visual assessment of the acquired images. Phantoms of different complexity and tissue-equivalent composition were imaged with high (5000 primaries per raster-scanning point (RP

Low-dose ion-based transmission radiography and tomography for optimization of carbon ion-beam therapy

International Nuclear Information System (INIS)

Magallanes Hernandez, Lorena

2017-01-01

In the last few decades, ion-beam radiotherapy has emerged as a highly effective tumor treatment modality. Its success relies on the capability to precisely confine the prescribed dose within the target volume, due to the inverted depth-dose profile and the finite range featured by charged particles. However, to fully exploit the physical and biological advantages of ion-beams, it is necessary to prioritize on innovative imaging techniques to monitor the ion-range inside the patient. Main range uncertainties result from X-ray-based calibration of the ion relative Water Equivalent Path Length (rWEPL) during the planning phase, and patient anatomical or positioning variation during the treatment. In this thesis, low-dose carbon-ion transmissionimaging performed with a Residual Range Detector (RRD) is proposed as imaging strategy for actively scanned beam delivery facilities. It enables the verification of the beam range and the patient positioning with ion-radiographies (iRAD), and ion computed tomographies (iCT) can directly provide the ion stopping-power of the traversed tissue for treatment planning purposes. First experimental investigations aiming to minimize the imaging dose to the object are presented. The performance of the integration-mode multi-channel array of 61 parallel-plate ionization chambers (PPICs), interleaved with 3 mm thickness PMMA slabs, was thoroughly investigated for low-fluence irradiation. This characterization has been pursued in terms of beam-monitoring performance at the Heidelberg Ion-beam Therapy Center (HIT, Heidelberg, Germany), RRD signal-to-noise ratio (SNR), RRD charge-collection efficiency and drift voltage applied to the PPICs. Pixel-wise metrics for signal quality evaluation based on specific channel-charge features have been developed to support the visual assessment of the acquired images. Phantoms of different complexity and tissue-equivalent composition were imaged with high (5000 primaries per raster-scanning point (RP

The computation of the build-up of long-lived radioisotopes on the surface of primary circuits and the ion exchange material of BWR

International Nuclear Information System (INIS)

Lundgren, K.

1980-06-01

The buildup of radionuclides on the surface of the primary circuits and in the ion exchange material is calculated. The computation is made by the computer code 'CRUD'. The buildup is interesting from the viewpoint of nuclear waste. Oskarshamn 2 is chosen as the reference plant. An extrapolation is made for 20 years of operation. Calculation are givin for Mn54, Fe55, Co60, Ni59, Ni63 and Zn65. The constants of deposition and disharge are determined by fitting the values. (G.B.)

Ion source for ion beam deposition employing a novel electrode assembly

Science.gov (United States)

Hayes, A. V.; Kanarov, V.; Yevtukhov, R.; Hegde, H.; Druz, B.; Yakovlevitch, D.; Cheesman, W.; Mirkov, V.

2000-02-01

A rf inductively coupled ion source employing a novel electrode assembly for focusing a broad ion beam on a relatively small target area was developed. The primary application of this ion source is the deposition of thin films used in the fabrication of magnetic sensors and optical devices. The ion optics consists of a three-electrode set of multiaperture concave dished grids with a beam extraction diameter of 150 mm. Also described is a variation in the design providing a beam extraction diameter of 120 mm. Grid hole diameters and grid spacing were optimized for low beamlet divergence and low grid impingement currents. The radius of curvature of the grids was optimized to obtain an optimally focused ion beam at the target location. A novel grid fabrication and mounting design was employed which overcomes typical limitations of such grid assemblies, particularly in terms of maintaining optimum beam focusing conditions after multiple cycles of operation. Ion beam generation with argon and xenon gases in energy ranges from 0.3 to 2.0 keV was characterized. For operation with argon gas, beam currents greater than 0.5 A were obtained with a beam energy of 800 eV. At optimal beam formation conditions, beam profiles at distances about equal to the radius of curvature were found to be close to Gaussian, with 99.9% of the beam current located within a 150 mm target diameter. Repeatability of the beam profile over long periods of operation is also reported.

A 1D ion species model for an RF driven negative ion source

Science.gov (United States)

Turner, I.; Holmes, A. J. T.

2017-08-01

A one-dimensional model for an RF driven negative ion source has been developed based on an inductive discharge. The RF source differs from traditional filament and arc ion sources because there are no primary electrons present, and is simply composed of an antenna region (driver) and a main plasma discharge region. However the model does still make use of the classical plasma transport equations for particle energy and flow, which have previously worked well for modelling DC driven sources. The model has been developed primarily to model the Small Negative Ion Facility (SNIF) ion source at CCFE, but may be easily adapted to model other RF sources. Currently the model considers the hydrogen ion species, and provides a detailed description of the plasma parameters along the source axis, i.e. plasma temperature, density and potential, as well as current densities and species fluxes. The inputs to the model are currently the RF power, the magnetic filter field and the source gas pressure. Results from the model are presented and where possible compared to existing experimental data from SNIF, with varying RF power, source pressure.

Jahn-Teller effect in Rydberg series: A multi-state vibronic coupling problem

International Nuclear Information System (INIS)

Staib, A.; Domcke, W.; Sobolewski, A.L.

1990-01-01

Two simple limiting cases of Jahn-Teller (JT) coupling in Rydberg states of polyatomic molecules are considered, namely (i) JT coupling in Rydberg orbitals as well as in the ionization continuum (nondegenerate ion core, degenerate Rydberg series) and (ii) JT coupling in the ion core (degenerate ion core, nondegenerate Rydberg series). For both models simple and efficient algorithms for the computation of spectra (dynamical JT effect) are developed. The orbital JT effect is shown to represent a novel type of multi-state vibronic coupling, giving rise to interesting spectroscopic phenomena, among them resonant inter-Rydberg perturbations and JT induced autoionization. Particular attention is paid to the demonstration of the characteristic spectroscopic signatures of the two types of JT coupling in Rydberg states. (orig.)

A density functional theory based approach for predicting melting points of ionic liquids.

Science.gov (United States)

Chen, Lihua; Bryantsev, Vyacheslav S

2017-02-01

Accurate prediction of melting points of ILs is important both from the fundamental point of view and from the practical perspective for screening ILs with low melting points and broadening their utilization in a wider temperature range. In this work, we present an ab initio approach to calculate melting points of ILs with known crystal structures and illustrate its application for a series of 11 ILs containing imidazolium/pyrrolidinium cations and halide/polyatomic fluoro-containing anions. The melting point is determined as a temperature at which the Gibbs free energy of fusion is zero. The Gibbs free energy of fusion can be expressed through the use of the Born-Fajans-Haber cycle via the lattice free energy of forming a solid IL from gaseous phase ions and the sum of the solvation free energies of ions comprising IL. Dispersion-corrected density functional theory (DFT) involving (semi)local (PBE-D3) and hybrid exchange-correlation (HSE06-D3) functionals is applied to estimate the lattice enthalpy, entropy, and free energy. The ions solvation free energies are calculated with the SMD-generic-IL solvation model at the M06-2X/6-31+G(d) level of theory under standard conditions. The melting points of ILs computed with the HSE06-D3 functional are in good agreement with the experimental data, with a mean absolute error of 30.5 K and a mean relative error of 8.5%. The model is capable of accurately reproducing the trends in melting points upon variation of alkyl substituents in organic cations and replacement one anion by another. The results verify that the lattice energies of ILs containing polyatomic fluoro-containing anions can be approximated reasonably well using the volume-based thermodynamic approach. However, there is no correlation of the computed lattice energies with molecular volume for ILs containing halide anions. Moreover, entropies of solid ILs follow two different linear relationships with molecular volume for halides and polyatomic fluoro

Silicon isotope ratio measurements by inductively coupled plasma tandem mass spectrometry for alteration studies of nuclear waste glasses.

Science.gov (United States)

Gourgiotis, Alkiviadis; Ducasse, Thomas; Barker, Evelyne; Jollivet, Patrick; Gin, Stéphane; Bassot, Sylvain; Cazala, Charlotte

2017-02-15

High-level, long-lived nuclear waste arising from spent fuel reprocessing is vitrified in silicate glasses for final disposal in deep geologic formations. In order to better understand the mechanisms driving glass dissolution, glass alteration studies, based on silicon isotope ratio monitoring of 29 Si-doped aqueous solutions, were carried out in laboratories. This work explores the capabilities of the new type of quadrupole-based ICP-MS, the Agilent 8800 tandem quadrupole ICP-MS/MS, for accurate silicon isotope ratio determination for alteration studies of nuclear waste glasses. In order to avoid silicon polyatomic interferences, a new analytical method was developed using O 2 as the reaction gas in the Octopole Reaction System (ORS), and silicon isotopes were measured in mass-shift mode. A careful analysis of the potential polyatomic interferences on SiO + and SiO 2 + ion species was performed, and we found that SiO + ion species suffer from important polyatomic interferences coming from the matrix of sample and standard solutions (0.5M HNO 3 ). For SiO 2 + , no interferences were detected, and thus, these ion species were chosen for silicon isotope ratio determination. A number of key settings for accurate isotope ratio analysis like, detector dead time, integration time, number of sweeps, wait time offset, memory blank and instrumental mass fractionation, were considered and optimized. Particular attention was paid to the optimization of abundance sensitivity of the quadrupole mass filter before the ORS. We showed that poor abundance sensitivity leads to a significant shift of the data away from the Exponential Mass Fractionation Law (EMFL) due to the spectral overlaps of silicon isotopes combined with different oxygen isotopes (i.e. 28 Si 16 O 18 O + , 30 Si 16 O 16 O + ). The developed method was validated by measuring a series of reference solutions with different 29 Si enrichment. Isotope ratio trueness, uncertainty and repeatability were found to be

EXPERIMENTAL EFFECTS OF CONDUCTIVITY AND MAJOR IONS ON STREAM PERIPHYTON - abstract

Science.gov (United States)

Our study examined if specific conductivities comprised of different ions associated with resource extraction affected stream periphyton assemblages, which are important sources of primary production. Sixteen artificial streams were dosed with two ion recipes intended to mimic so...

Study of the secondary negative ion emission of copper and several of its alloys by impact with Cs/sup +/ ions

Energy Technology Data Exchange (ETDEWEB)

Vallerand, P; Baril, M [Laval Univ., Quebec City (Canada). Dept. de Physique

1977-07-01

Secondary ion emission studies have been undertaken using Cs/sup +/ as the primary ion beam. A good vacuum (ca. 10/sup -8/ torr) is needed to eliminate contamination by residual gases. Negative ion emission of pure copper is compared with its alloys. The thermodynamic equilibrium model of Andersen is discussed. For low element concentrations, the experimental data show enhancement in negative emission of P, Al, Fe, Sn, Ni, and attenuation for Zn, Pb. The order of magnitude of ionic efficiency S/sup -/ for copper is evaluated at 10/sup -4/.

Contributions of secondary fragmentation by carbon ion beams in water phantom: Monte Carlo simulation

International Nuclear Information System (INIS)

Ying, C K; Bolst, David; Tran, Linh T.; Guatelli, Susanna; Rosenfeld, A. B.; Kamil, W A

2017-01-01

Heavy-particle therapy such as carbon ion therapy is currently very popular because of its superior conformality in terms of dose distribution and higher Relative Biological Effectiveness (RBE). However, carbon ion beams produce a complex mixed radiation field, which needs to be fully characterised. In this study, the fragmentation of a 290 MeV/u primary carbon ion beam was studied using the Geant4 Monte Carlo Toolkit. When the primary carbon ion beam interacts with water, secondary light charged particles (H, He, Li, Be, B) and fast neutrons are produced, contributing to the dose, especially after the distal edge of the Bragg peak. (paper)

Heavy-ion radiobiology of multicellular tumor spheroids

International Nuclear Information System (INIS)

Rodriguez, A.; Alpen, E.L.

1980-01-01

Experiments reported here were conducted with carbon ions, neon ions, and argon ions using rat brain gliosarcoma (9L) and Chinese hamster lung V79 cells grown as multicellular spheroids. Our studies were designed to evaluate high-LET radiation survival characteristics of cells grown in this relatively organized tissue-like environment. Our primary objectives were to determine the RBE values in plateau and spread Bragg peak regions of the carbon, neon, and argon beams, and evaluate with high and low LET radiation, the role of spheroid architecture in postirradiation survival of cells grown in this format

(Electronic structure and reactivities of transition metal clusters)

Energy Technology Data Exchange (ETDEWEB)

1992-01-01

The following are reported: theoretical calculations (configuration interaction, relativistic effective core potentials, polyatomics, CASSCF); proposed theoretical studies (clusters of Cu, Ag, Au, Ni, Pt, Pd, Rh, Ir, Os, Ru; transition metal cluster ions; transition metal carbide clusters; bimetallic mixed transition metal clusters); reactivity studies on transition metal clusters (reactivity with H{sub 2}, C{sub 2}H{sub 4}, hydrocarbons; NO and CO chemisorption on surfaces). Computer facilities and codes to be used, are described. 192 refs, 13 figs.

Hydration numbers of trivalent lanthanide and actinide ions

International Nuclear Information System (INIS)

David, F.; Fourest, B.; Duplessis, J.

1987-01-01

Investigations on the structure of actinide aquo ions and determination of hydration numbers have to be studied, essentially, through radiochemical methods. They measured the transport numbers, diffusion coefficient D by the open end capillary method and ionic mobility u by electrophoresis. Both methods show a discontinuity in the transport number corresponding to the crystallographic radius of Eu 3+ or Bk 3+ ion. They deduced the volume of the actinide aquo ions, and the coordination number in the primary sphere. From calculations of the electrostriction phenomenon in the vicinity of central ion, they obtained effective volume of the water molecules and the dynamic hydration number corresponding to the second hydration sphere

Negative ion sourcery

International Nuclear Information System (INIS)

Os, C.F.A. van.

1989-01-01

The work described in this thesis is involved by current research programs in the field of nuclear-fusion. A brief introduction to fusion is given, anticipated problems related to current drive of the fusion plasma are pinpointed and probable suggestions to overcome these problems are described. One probable means for current drive is highlighted; Neutral Beam Injection (NBI). This is based on injecting a 1 MeV neutral hydrogen or deuterium beam into a fusion plasma. Negative ions are needed as primary particles because they can easily be neutralized at 1 MeV. The two current schemes for production of negative ions are described, volume production and negative surface ionization. The latter method is extensively studied in this thesis. (author). 171 refs.; 55 figs.; 7 tabs

International Space Station Lithium-Ion Battery

Science.gov (United States)

Dalton, Penni J.; Schwanbeck, Eugene; North, Tim; Balcer, Sonia

2016-01-01

The International Space Station (ISS) primary Electric Power System (EPS) currently uses Nickel-Hydrogen (Ni-H2) batteries to store electrical energy. The electricity for the space station is generated by its solar arrays, which charge batteries during insolation for subsequent discharge during eclipse. The Ni-H2 batteries are designed to operate at a 35 depth of discharge (DOD) maximum during normal operation in a Low Earth Orbit. Since the oldest of the 48 Ni-H2 battery Orbital Replacement Units (ORUs) has been cycling since September 2006, these batteries are now approaching their end of useful life. In 2010, the ISS Program began the development of Lithium-Ion (Li-Ion) batteries to replace the Ni-H2 batteries and concurrently funded a Li-Ion ORU and cell life testing project. When deployed, they will be the largest Li-Ion batteries ever utilized for a human-rated spacecraft. This paper will include an overview of the ISS Li-Ion battery system architecture, the Li-Ion battery design and development, controls to limit potential hazards from the batteries, and the status of the Li-Ion cell and ORU life cycle testing.

Investigation of mixed ion fields in the forward direction for 220.5 MeV/u helium ion beams: comparison between water and PMMA targets

Science.gov (United States)

Aricò, G.; Gehrke, T.; Jakubek, J.; Gallas, R.; Berke, S.; Jäkel, O.; Mairani, A.; Ferrari, A.; Martišíková, M.

2017-10-01

Currently there is a rising interest in helium ion beams for radiotherapy. For benchmarking of the physical beam models used in treatment planning, there is a need for experimental data on the composition and spatial distribution of mixed ion fields. Of particular interest are the attenuation of the primary helium ion fluence and the build-up of secondary hydrogen ions due to nuclear interactions. The aim of this work was to provide such data with an enhanced precision. Moreover, the validity and limits of the mixed ion field equivalence between water and PMMA targets were investigated. Experiments with a 220.5 MeV/u helium ion pencil beam were performed at the Heidelberg Ion-Beam Therapy Center in Germany. The compact detection system used for ion tracking and identification was solely based on Timepix position-sensitive semiconductor detectors. In comparison to standard techniques, this system is two orders of magnitude smaller, and provides higher precision and flexibility. The numbers of outgoing helium and hydrogen ions per primary helium ion as well as the lateral particle distributions were quantitatively investigated in the forward direction behind water and PMMA targets with 5.2-18 cm water equivalent thickness (WET). Comparing water and PMMA targets with the same WET, we found that significant differences in the amount of outgoing helium and hydrogen ions and in the lateral particle distributions arise for target thicknesses above 10 cm WET. The experimental results concerning hydrogen ions emerging from the targets were reproduced reasonably well by Monte Carlo simulations using the FLUKA code. Concerning the amount of outgoing helium ions, significant differences of 3-15% were found between experiments and simulations. We conclude that if PMMA is used in place of water in dosimetry, differences in the dose distributions could arise close to the edges of the field, in particular for deep seated targets. The results presented in this publication are

Fast ion behavior during neutral beam injection in ATF

International Nuclear Information System (INIS)

Wade, M.R.; Thomas, C.E.; Colchin, R.J.; Rome, J.A.; England, A.C.; Fowler, R.H.; Aceto, S.C.

1993-01-01

In stellarators, single-particle confinement properties can be more complex than in their tokamak counterparts. Fast-ion behavior in tokamaks has been well characterized through an abundance of measurements on various devices and in general has been shown to be consistent with classical slowing-down theory, although anomalous ion behavior has been observed during intense beam injection in ISX-B, during fishbone instabilities in PDX, and in experiments on TFR. In contrast, fast ion behavior in stellarators is not as wel established experimentally with the primary experiments to date focusing o near-perpendicular or perpendicular neutral beam injection (NBI) on the Wendelstein 7-A stellarator (91 and Heliotron-E. This paper addresses fast-ion confinement properties in a large-aspect-ratio, moderate-shear stellarator, the Advanced Toroidal Facility, during tangential NBI. The primary data used in this study are the experimentally measured energy spectra of charge-exchange neutrals escaping from the plasma, using a two-dimensional scanning neutral particle analyzer. This diagnostic method is well established, having been used on several devices since the early 1970's. Various aspects of fast-ion behavior are investigated by comparing these data with computed theoretical spectra based on energeticion distributions derived from the fastion Fokker-Planck equation. Ion orbits are studied by computer orbit following, by the computation of J* surfaces, and by Monte Carlo calculations

Mechanism of ion output for the MI-1305 mass-spectrometer

Energy Technology Data Exchange (ETDEWEB)

Kornyushkin, YW D; Stavrovich, N V [Leningradskij Inst. Tochnoj Mekhaniki i Optiki (USSR)

1976-01-01

An attachment to MJ-1305 mass-spectrometer for ion ejection enabling to study interaction of ions and substance is designed. The attachment is accomodated with a block of diaphragms forming a beam of primary ions. A magneto-discharge pump has been used to improve vacuum in a sample chamber up to 5x10/sup -8/ torr. An universal exit slit permits producing ion beam currents ranging from 10/sup -9/ to 10/sup -10/ A with 4 keV energy under operating conditions of the spectrometer as an ion source. To ensure a higher noise stability of the measuring circuit the ion current is measured through a variable signal with synchronous detection employed.

The application of transition metal ion chromatography to the determination of elemental and radiochemical species in PWR primary coolant

International Nuclear Information System (INIS)

Bridle, D.A.; Brown, G.R.; Johnson, P.A.V.

1992-01-01

The accurate determination of both elemental and radiochemical transition metal corrosion products, particularly cobalt and nickel, in PWR coolants is necessary if the transport mechanisms and their role in the development of out-of-core radiation fields are to be fully understood. AEA Technology, Winfrith, has collaborated for several years with a number of PWR utilities in Europe, developing advanced sampling and analytical techniques for the determination of both soluble and insoluble corrosion products in primary coolant. The design and installation of continuously flowing isokinetic capillary modifications to the existing sampling systems has been shown to be an effective method of providing a low, but representative, sample flow from high pressure systems for on-line determination of corrosion product species. Transition metal ion chromatography coupled with gamma-spectrometry has been used to determine both insoluble and soluble elemental and radiochemical species in reactor coolant, with particular attention being given to the determination of soluble elemental cobalt at levels as low as 1 ng per kg. Soluble species were determined directly following their concentration from up to 1 litre of coolant. Insoluble species collected on 0.45 micron filter membranes, following filtration of up to 1500 litres of coolant, were solubilised by fusion with potassium hydrogen sulphate before the application of ion chromatography. In each case the eluant from the chromatographic column was collected and the radionuclides determined by gamma-spectrometry

Radiation damage in materials. Primary knock-on atom energy analyses of cascade damage

International Nuclear Information System (INIS)

Sekimura, Naoto

1995-01-01

To understand cascade damage formation as a function of primary recoil energy, thin foils of gold were irradiated with 20 - 400 keV self-ions to 1.0 x 10 14 ions/m 2 at 300 K. Yield of groups of vacancy clusters saturated at ion energy higher than 100 keV. Number of clusters in a group had variation even from the same energy ions. Size distribution of the clusters was not strongly dependent on number of clusters in a group and ion energy. Density of vacancy clusters in a group formed near the specimen surface was calibrated to estimate vacancy cluster formation in neutron-irradiated material. A model was proposed to predict distribution of defect clusters in the irradiated materials based on a primary recoil spectrum. Examples of recomposed distribution of vacancy clusters in a group in irradiated gold were compared with the measured data. (author)

Computer simulation of the topography evolution on ion bombarded surfaces

CERN Document Server

Zier, M

2003-01-01

The development of roughness on ion bombarded surfaces (facets, ripples) on single crystalline and amorphous homogeneous solids plays an important role for example in depth profiling techniques. To verify a faceting mechanism based not only on sputtering by directly impinging ions but also on the contribution of reflected ions and the redeposition of sputtered material a computer simulation has been carried out. The surface in this model is treated as a two-dimensional line segment profile. The model describes the topography evolution on ion bombarded surfaces including the growth mechanism of a facetted surface, using only the interplay of reflected and primary ions and redeposited atoms.

Helicon plasma potential measurements using a heavy ion beam probe

International Nuclear Information System (INIS)

P. Schoch; K. Connor; J. Si

2005-01-01

A Heavy Ion Beam Probe, HIBP, has been installed on a helicon plasma device. The objective was to measure plasma fluctuations at the 13.55MHz RF frequency. This offers a unique challenge for the HIBP, because the transit time of the probing ion is long compared to the fluctuations of interest. For previous HIBPs, the transit time has been short compared to the period of the fluctuations which permits one to assume that the magnetic and electric fields are static. Modeling has shown that the diagnostic will still accurately measure the average potential. The fluctuating potential was to be detected but the absolute magnitude is difficult to determine with signal from a single point. However, modeling indicates multipoint measurements will allow one to resolve the absolute fluctuation magnitude. Work supported by DOE Grant No. DE-FG02-99ER5452985 During the funding of this grant, a helicon plasma discharge device was built and operated. A Heavy Ion Beam Probe primary system was installed and operated. A primary beam detector was installed and primary beam was detected both with and without plasma. Attempts were made to detect secondary ions using the primary beam detector, without success. Given the lack of a detectable signal, the energy analyzer of the HIBP system was never installed. It is available for installation if there is a reason to do so in the future. Analysis of the system indicated that the plasma electron temperature, estimated to be a few eV, was the likely reason for the lack of detectable secondary ions. A change of ion species to either Boron or Magnesium would greatly increase the signal, but neither of these ions have been used in a HIBP system. The ion source used in this system is made by using a charge exchange process to create a zeolite loaded with the desired ion. Attempts were made to use charge exchange to load Magnesium into a zeolite, and were not successful. It is felt that Magnesium and/or Boron zeolite sources could be created, but

Atomic physics with highly charged ions. Progress report

Energy Technology Data Exchange (ETDEWEB)

Richard, P.

1994-08-01

The study of inelastic collision phenomena with highly charged projectile ions and the interpretation of spectral features resulting from these collisions remain as the major focal points in the atomic physics research at the J.R. Macdonald Laboratory, Kansas State University, Manhattan, Kansas. The title of the research project, ``Atomic Physics with Highly Charged Ions,`` speaks to these points. The experimental work in the past few years has divided into collisions at high velocity using the primary beams from the tandem and LINAC accelerators and collisions at low velocity using the CRYEBIS facility. Theoretical calculations have been performed to accurately describe inelastic scattering processes of the one-electron and many-electron type, and to accurately predict atomic transition energies and intensities for x rays and Auger electrons. Brief research summaries are given for the following: (1) electron production in ion-atom collisions; (2) role of electron-electron interactions in two-electron processes; (3) multi-electron processes; (4) collisions with excited, aligned, Rydberg targets; (5) ion-ion collisions; (6) ion-molecule collisions; (7) ion-atom collision theory; and (8) ion-surface interactions.

Coincident Auger electron and recoil ion momentum spectroscopy for low-energy ion-atom collisions

International Nuclear Information System (INIS)

Laurent, G.; Tarisien, M.; Flechard, X.; Jardin, P.; Guillaume, L.; Sobocinski, P.; Adoui, L.; Bordenave-Montesquieu, A.; Bordenave-Montesquieu, D.; Chesnel, J.-Y.; Fremont, F.; Hennecart, D.; Lienard, E.; Maunoury, L.; Moretto-Capelle, P.; Cassimi, A.

2003-01-01

The recoil ion momentum spectroscopy (RIMS) method combined with the detection of Auger electrons has been used successfully to analyse double electron capture following O 6+ + He collisions at low impact velocities. Although RIMS and Auger spectroscopies are known to be efficient tools to obtain details on the primary processes occurring during the collision, the conjunction of both techniques provides new insights on the electron capture process. In the present experiment, triple coincidence detection of the scattered projectile, the target recoil ion and the Auger electron allows for a precise identification of the doubly excited states O 4+ (1s 2 nln ' l ' ) populated after double electron-capture events

Triple-membrane reduces need for ion exchange regeneration

International Nuclear Information System (INIS)

Valcour, H.

1989-01-01

Triple-membrane water treatment systems are comprised of ultrafiltration units for pretreatment, electrodialysis reversal primary demineralizers, reverse osmosis secondary demineralizers, portable ion exchange unit polishing demineralizers, and ultraviolet sterilizers. The triple-membrane process is designed to provide an unprecedented degree of pretreatment to maximize efficiency, durability and reliability of the reverse osmosis, whilst reducing the required regeneration frequency of the ion exchange demineralizer by one to two orders of magnitude. (author)

Non-invasive monitoring of therapeutic carbon ion beams in a homogeneous phantom by tracking of secondary ions

Science.gov (United States)

Gwosch, K.; Hartmann, B.; Jakubek, J.; Granja, C.; Soukup, P.; Jäkel, O.; Martišíková, M.

2013-06-01

Radiotherapy with narrow scanned carbon ion beams enables a highly accurate treatment of tumours while sparing the surrounding healthy tissue. Changes in the patient’s geometry can alter the actual ion range in tissue and result in unfavourable changes in the dose distribution. Consequently, it is desired to verify the actual beam delivery within the patient. Real-time and non-invasive measurement methods are preferable. Currently, the only technically feasible method to monitor the delivered dose distribution within the patient is based on tissue activation measurements by means of positron emission tomography (PET). An alternative monitoring method based on tracking of prompt secondary ions leaving a patient irradiated with carbon ion beams has been previously suggested. It is expected to help in overcoming the limitations of the PET-based technique like physiological washout of the beam induced activity, low signal and to allow for real-time measurements. In this paper, measurements of secondary charged particle tracks around a head-sized homogeneous PMMA phantom irradiated with pencil-like carbon ion beams are presented. The investigated energies and beam widths are within the therapeutically used range. The aim of the study is to deduce properties of the primary beam from the distribution of the secondary charged particles. Experiments were performed at the Heidelberg Ion Beam Therapy Center, Germany. The directions of secondary charged particles emerging from the PMMA phantom were measured using an arrangement of two parallel pixelated silicon detectors (Timepix). The distribution of the registered particle tracks was analysed to deduce its dependence on clinically important beam parameters: beam range, width and position. Distinct dependencies of the secondary particle tracks on the properties of the primary carbon ion beam were observed. In the particular experimental set-up used, beam range differences of 1.3 mm were detectable. In addition, variations

Tumour control in ion beam radiotherapy with different ions in the presence of hypoxia: an oxygen enhancement ratio model based on the microdosimetric kinetic model

Science.gov (United States)

Strigari, L.; Torriani, F.; Manganaro, L.; Inaniwa, T.; Dalmasso, F.; Cirio, R.; Attili, A.

2018-03-01

Few attempts have been made to include the oxygen enhancement ratio (OER) in treatment planning for ion beam therapy, and systematic studies to evaluate the impact of hypoxia in treatment with the beam of different ion species are sorely needed. The radiobiological models used to quantify the OER in such studies are mainly based on the dose-averaged LET estimates, and do not explicitly distinguish between the ion species and fractionation schemes. In this study, a new type of OER modelling, based on the microdosimetric kinetic model, taking into account the specificity of the different ions, LET spectra, tissues and fractionation schemes, has been developed. The model has been benchmarked with published in vitro data, HSG, V79 and CHO cells in aerobic and hypoxic conditions, for different ion irradiation. The model has been included in the simulation of treatments for a clinical case (brain tumour) using proton, lithium, helium, carbon and oxygen ion beams. A study of the tumour control probability (TCP) as a function of oxygen partial pressure, dose per fraction and primary ion type has been performed. The modelled OER depends on both the LET and ion type, also showing a decrease for an increased dose per fraction with a slope that depends on the LET and ion type, in good agreement with the experimental data. In the investigated clinical case, a significant increase in TCP has been found upon increasing the ion charge. Higher OER variations as a function of dose per fraction have also been found for low-LET ions (up to 15% varying from 2 to 8 Gy(RBE) for protons). This model could be exploited in the identification of treatment condition optimality in the presence of hypoxia, including fractionation and primary particle selection.

Experimental studies with radioactive ion beams

International Nuclear Information System (INIS)

Sastry, D.L.; Sree Krishna Murty, G.; Chandrasekhar Rao, M.V.S.

1991-01-01

The sources of information presented are essentially taken from the papers reported at several international seminars and those appeared in the Journal of Nuclear Instruments and Methods in Physics Research. Production and usage of radioactive ion beams (RIB) in research have received the attention of scientists all over the world during the past six years. The first radioactive ion beams ( 19 Ne) were produced at Bevalac for the purpose of medical research using a primary beam of energy 800 MeV/a.m.u. (author). 19 refs., 2 figs., 3 tabs

Fundamental studies of interferences in ICP-MS

Energy Technology Data Exchange (ETDEWEB)

Rowley, L.K

2000-11-01

Methods of temperature measurement by mass spectrometry have been critically reviewed. It was concluded that the most appropriate method depended critically on the availability of fundamental data, hence a database of fundamental spectroscopic constants, for diatomic ions which cause interferences in ICP-MS, was compiled. The equilibration temperature, calculated using the different methods and using various diatomic ions as the thermometric probes, was between c.a. 400 - 10,000 K in the central channel, and between c.a. 600 - 16,000 K when the plasma was moved 1.8 mm off-centre. The wide range in temperature reflected the range of temperature measurement methods and uncertainty in the fundamental data. Optical studies using a fibre optic connected to a monochromator were performed in order to investigate the presence of interferences both in the plasma and the interface region of the ICP-MS, and the influence of a shielded torch on these interferences. It was possible to determine the presence of some species in the plasma, such as the strongly bound metal oxides, however, no species other than OH were detected in the interface region of the ICP-MS. The OH rotational temperature within the interface region of the ICP-MS was calculated to be between 2,000 - 4,000 K. The effect of sampling depth, operating power, radial position and solvent loading, with and without the shielded torch, on the dissociation temperature of a variety of polyatomic interferences was investigated. These calculated temperatures were then used to elucidate the site of formation for different polyatomic interferences. Results confirmed that strongly bound ions such as MO{sup +} were formed in the plasma, whereas weakly bound ions such as ArO{sup +} were formed in the interface region due to gross deviation of the calculated temperatures from those expected for a system in thermal equilibrium. (author)

Imaging a multidimensional multichannel potential energy surface: Photodetachment of H(-)(NH3) and NH4 (.).

Science.gov (United States)

Hu, Qichi; Song, Hongwei; Johnson, Christopher J; Li, Jun; Guo, Hua; Continetti, Robert E

2016-06-28

Probes of the Born-Oppenheimer potential energy surfaces governing polyatomic molecules often rely on spectroscopy for the bound regions or collision experiments in the continuum. A combined spectroscopic and half-collision approach to image nuclear dynamics in a multidimensional and multichannel system is reported here. The Rydberg radical NH4 and the double Rydberg anion NH4 (-) represent a polyatomic system for benchmarking electronic structure and nine-dimensional quantum dynamics calculations. Photodetachment of the H(-)(NH3) ion-dipole complex and the NH4 (-) DRA probes different regions on the neutral NH4 PES. Photoelectron energy and angular distributions at photon energies of 1.17, 1.60, and 2.33 eV compare well with quantum dynamics. Photoelectron-photofragment coincidence experiments indicate dissociation of the nascent NH4 Rydberg radical occurs to H + NH3 with a peak kinetic energy of 0.13 eV, showing the ground state of NH4 to be unstable, decaying by tunneling-induced dissociation on a time scale beyond the present scope of multidimensional quantum dynamics.

Negative secondary ion emission from oxidized surfaces

International Nuclear Information System (INIS)

Gnaser, H.; Kernforschungsanlage Juelich G.m.b.H.

1984-01-01

The emission of negative secondary ions from 23 elements was studied for 10 keV O 2 + and 10 keV In + impact at an angle of incidence of 45 0 . Partial oxidation of the sample surfaces was achieved by oxygen bombardment and/or by working at a high oxygen partial pressure. It was found that the emission of oxide ions shows an element-characteristic pattern. For the majority of the elements investigated these features are largely invariant against changes of the surface concentration of oxygen. For the others admission of oxygen strongly changes the relative intensities of oxide ions: a strong increase of MO 3 - signals (M stands for the respective element) is accompanied by a decrease of MO - and M - intensities. Different primary species frequently induce changes of both the relative and the absolute negative ion intensities. Carbon - in contrast to all other elements - does not show any detectable oxide ion emission but rather intense cluster ions Csub(n) - (detected up to n=12) whose intensities oscillate in dependence on n. (orig./RK)

Ripple coarsening on ion beam-eroded surfaces.

Science.gov (United States)

Teichmann, Marc; Lorbeer, Jan; Frost, Frank; Rauschenbach, Bernd

2014-01-01

The temporal evolution of ripple pattern on Ge, Si, Al 2 O 3, and SiO 2 by low-energy ion beam erosion with Xe (+) ions is studied. The experiments focus on the ripple dynamics in a fluence range from 1.1 × 10(17) cm(-2) to 1.3 × 10(19) cm(-2) at ion incidence angles of 65° and 75° and ion energies of 600 and 1,200 eV. At low fluences a short-wavelength ripple structure emerges on the surface that is superimposed and later on dominated by long wavelength structures for increasing fluences. The coarsening of short wavelength ripples depends on the material system and angle of incidence. These observations are associated with the influence of reflected primary ions and gradient-dependent sputtering. The investigations reveal that coarsening of the pattern is a universal behavior for all investigated materials, just at the earliest accessible stage of surface evolution.

Beam analysis spectrometer for relativistic heavy ions

International Nuclear Information System (INIS)

Schimmerling, W.; Subramanian, T.S.; McDonald, W.J.; Kaplan, S.N.; Sadoff, A.; Gabor, G.

1983-01-01

A versatile spectrometer useful for measuring the mass, charge, energy, fluence and angular distribution of primaries and fragments associated with relativistic heavy ion beams is described. The apparatus is designed to provide accurate physical data for biology experiments and medical therapy planning as a function of depth in tissue. The spectrometer can also be used to measure W, the average energy to produce an ion pair, range-energy, dE/dx, and removal cross section data of interest in nuclear physics. (orig.)

A review of the radiation stability of ion exchange materials

International Nuclear Information System (INIS)

Pillay, K.K.S.

1986-01-01

A comprehensive literature survey on the radiation stability of synthetic organic ion exchangers was published in this journal (Vol. 97, No. 1.). This paper is a brief review of the major findings of this survey along with similar information on synthetic inorganic ion exchangers. The primary goal of this literature survey is to review present knowledge on the effects of ionizing radiations on synthetic ion exchange materials used in radiochemical processing. The information available in the literature shows some general trends in observed qualitative effects by different types of organic and inorganic ion exchange materials. (author)

Radioactive ion beam facilities at INFN LNS

International Nuclear Information System (INIS)

Rifuggiato, D; Calabretta, L; Celona, L; Chines, F; Cosentino, L; Cuttone, G; Finocchiaro, P; Pappalardo, A; Re, M; Rovelli, A

2011-01-01

Radioactive ion beams are produced at INFN- Laboratori Nazionali del Sud (LNS) by means of the two operating accelerators, the Tandem and the Superconducting Cyclotron (CS), originally designed to accelerate stable beams. Both the ISOL (Isotope Separation On Line) and the IFF (In-Flight Fragmentation) methods are exploited to produce RIBs in two different ways at different energies: in the first case, the Cyclotron is the primary accelerator and the Tandem accelerates the secondary beams, while in the second case radioactive fragments are produced by the Cyclotron beam in a thin target with energies comparable to the primary beam energy. The ISOL facility is named EXCYT (Exotics at the Cyclotron and Tandem) and was commissioned in 2006, when the first radioactive beam ( 8 Li) has been produced. The IFF installation is named FRIBs (in Flight Radioactive Ion Beams), and it has started to produce radioactive beams in 2001, placing a thin target in the extraction beam line of the Cyclotron. The development of both facilities to produce and accelerate radioactive ion beams at LNS, is briefly described, with some details on the future prospects that are presently under consideration or realization.

Numerical analysis on the ion species ratios in a steady state hydrogen plasma

International Nuclear Information System (INIS)

Fukumasa, Osamu; Saeki, Setsuo; Osaki, Katashi; Sakiyama, Satoshi; Itatani, Ryohei.

1984-07-01

Ion species ratios in a hydrogen plasma are calculated systematically as a function of plasma parameters, i.e. the electron density, the electron temperature, the pressure of hydrogen gas and the plasma volume. Furthermore, in the present analysis, the recombination factor for hydrogen atoms at the wall surface of a vacuum vessel is treated as another plasma parameter. The most significant point is that ion species ratios depend strongly not only on plasma parameters, but also on the recombination factor. The proton ratio increases with decreasing value of the recombination factor. Primary electrons also play an important role for ion species ratios, and the presence of primary electrons causes the proton ratio to decrease. (author)

Coincident Auger electron and recoil ion momentum spectroscopy for low-energy ion-atom collisions

Energy Technology Data Exchange (ETDEWEB)

Laurent, G. E-mail: glaurent@ganil.fr; Tarisien, M.; Flechard, X.; Jardin, P.; Guillaume, L.; Sobocinski, P.; Adoui, L.; Bordenave-Montesquieu, A.; Bordenave-Montesquieu, D.; Chesnel, J.-Y.; Fremont, F.; Hennecart, D.; Lienard, E.; Maunoury, L.; Moretto-Capelle, P.; Cassimi, A

2003-05-01

The recoil ion momentum spectroscopy (RIMS) method combined with the detection of Auger electrons has been used successfully to analyse double electron capture following O{sup 6+} + He collisions at low impact velocities. Although RIMS and Auger spectroscopies are known to be efficient tools to obtain details on the primary processes occurring during the collision, the conjunction of both techniques provides new insights on the electron capture process. In the present experiment, triple coincidence detection of the scattered projectile, the target recoil ion and the Auger electron allows for a precise identification of the doubly excited states O{sup 4+} (1s{sup 2}nln{sup '}l{sup '}) populated after double electron-capture events.

Andromede project: Surface analysis and modification with probes from hydrogen to nano-particles in the MeV energy range

International Nuclear Information System (INIS)

Eller, Michael J.; Cottereau, Evelyne; Rasser, Bernard; Verzeroli, Elodie; Agnus, Benoit; Gaubert, Gabriel; Donzel, Xavier; Delobbe, Anne; Della-Negra, Serge

2015-01-01

The Andromede project is the center of a multi-disciplinary team which will build a new instrument for surface modification and analysis using the impact of probes from hydrogen to nano-particles (Au 400 +4 ) in the MeV range. For this new instrument a series of atomic, polyatomic, molecular and nano-particle ion beams will be delivered using two ion sources in tandem, a liquid metal ion source and an electron cyclotron resonance source. The delivered ion beams will be accelerated to high energy with a 4 MeV van de Graaff type accelerator. By using a suite of probes in the MeV energy range, ion beam analysis techniques, MeV atomic and cluster secondary ion mass spectrometry can all be performed in one location. A key feature of the instrument is its ability to produce an intense beam for injection into the accelerator. The commissioning of the two sources shows that intense beams from atomic ions to nano-particles can be delivered for subsequent acceleration. The calculations and measurements for the two sources are presented.

Ion-ion collisions and ion storage rings

International Nuclear Information System (INIS)

Mowat, J.R.

1988-01-01

Improved understanding of fundamental ion-ion interactions is expected to emerge from research carried out with ion storage rings. In this short survey the significant advantages and unique features that make stored ions useful targets for collision experiments are reviewed and discussed. It is pointed out that improvements to existing ion-ion experiments, as well as qualitatively new experiments, should occur over the next few years as ion storage rings become available for atomic physics. Some new experiments are suggested which are difficult if not impossible with present-day technology, but which seem feasible at storage rings facilities. (orig.)

Current sensorless quick charger for lithium-ion batteries

International Nuclear Information System (INIS)

Tsang, K.M.; Chan, W.L.

2011-01-01

An efficient, simple and low cost quick charger based on the double-loop controller is proposed for the charging of lithium-ion (Li-ion) batteries. With positive and negative feedback of the battery voltage, charging profile similar to the constant current and constant voltage (CC-CV) charging strategy can be performed without actually sensing the charging current. The charging time can easily be shortened by raising the level of saturation in the primary voltage control loop. Experimental results are included to demonstrate the effectiveness of the battery charger. The charger could be a low cost and high performance replacement for existing Li-ion battery chargers.

Simultaneous electrothermal vaporization and nebulizer sample introduction system for inductively coupled plasma mass spectrometry

International Nuclear Information System (INIS)

Arnquist, Isaac J.; Kreschollek, Thomas E.; Holcombe, James A.

2011-01-01

The novel analytical application of the combination of an inline electrothermal vaporization (ETV) and nebulization source for inductively coupled plasma mass spectrometry (ICP-MS) has been studied. Wet plasma conditions are sustained during ETV introduction by 200 mL/min gas flow through the nebulizer, which is merged with the ETV transport line at the torch. The use of a wet plasma with ETV introduction avoided the need to change power settings and torch positions that normally accompany a change from wet to dry plasma operating conditions. This inline-ETV source is shown to have good detection limits for a variety of elements in both HNO 3 and HCl matrices. Using the inline-ETV source, improved limits of detection (LOD) were obtained for elements typically suppressed by polyatomic interferences using a nebulizer. Specifically, improved LODs for 51 V and 53 Cr suffering from Cl interferences ( 51 ClO + and 53 ClO + respectively) in a 1% HCl matrix were obtained using the inline-ETV source. LODs were improved by factors of 65 and 22 for 51 V and 53 Cr, respectively, using the inline-ETV source compared to a conventional concentric glass nebulizer. For elements without polyatomic interferences, LODs from the inline-ETV were comparable to conventional dry plasma ETV-ICP time-of-flight mass spectrometry results. Lastly, the inline-ETV source offers a simple means of changing from nebulizer introduction to inline-ETV introduction without extinguishing the plasma. This permits, for example, the use of the time-resolved ETV-ICP-MS signals to distinguish between an analyte ion and polyatomic isobar.

Reaction of ketene ions with ammonia

International Nuclear Information System (INIS)

Iraqi, M.; Lifshitz, C.; Reuben, B.G.

1991-01-01

Reactions of ketene ions with NH 3 , ND 3 , H 2 O, and CH 4 were investigated in a selected ion flow tube (SIFT). There were no observable products for H 2 O and CH 4 and no ion/neutral complex stabilization in any of the systems investigated. The ammonia system demonstrated two reaction channels, in agreement with previous FTICR data (1) distonic ion CH 2 NH 3 sm-bullet + formation, with a branching ratio of 0.2 and (2) proton transfer, with a branching ratio of 0.8. The overall second-order rate constant for NH 3 is (2.2 ± 0.15) x 10 -9 cm 3 molecule -1 s -1 , in agreement with the gas kinetic ion-dipole collision rate. Isotope scrambling was studied for primary (CH 2 CO + ) and for secondary (CH 2 NX 3 sm-bullet + and NX 4 + , X = H or D) proton-transfer reactions with ND 3 ; CH 2 NH 3 sm-bullet + appears to transfer an X + ion to ND 3 without any scrambling. CH 2 CO sm-bullet + undergoes reactions with partial scrambling and NX 4 + seems to react with almost complete scrambling. The results are compared with these of Adams, Smith, and Henchman on the NH 4 + /ND 3 system

Are neutral loss and internal product ions useful for top-down protein identification?

Science.gov (United States)

Xiao, Kaijie; Yu, Fan; Fang, Houqin; Xue, Bingbing; Liu, Yan; Li, Yunhui; Tian, Zhixin

2017-05-08

Neutral loss and internal product ions have been found to be significant in both peptide and protein tandem mass spectra and they have been proposed to be included in database search and for protein identification. In addition to common canonical b/y ions in collision-based dissociation or c/z ions in electron-based dissociation, inclusion of neutral loss and internal product ions would certainly make better use of tandem mass spectra data; however, their ultimate utility for protein identification with false discovery rate control remains unclear. Here we report our proteome-level utility benchmarking of neutral loss and internal product ions with tandem mass spectra of intact E. coli proteome. Utility of internal product ions was further evaluated at the protein level using selected tandem mass spectra of individual E. coli proteins. We found that both neutral loss and internal products ions do not have direct utility for protein identification when they were used for scoring of P Score; but they do have indirect utility for provision of more canonical b/y ions when they are included in the database search and overlapping ions between different ion types are resolved. Tandem mass spectrometry has evolved to be a state-of-the-art method for characterization of protein primary structures (including amino acid sequence, post-translational modifications (PTMs) as well as their site location), where full study and utilization tandem mass spectra and product ions are indispensable. This primary structure information is essential for higher order structure and eventual function study of proteins. Copyright © 2017 Elsevier B.V. All rights reserved.

SU-D-BRB-02: Investigations of Secondary Ion Distributions in Carbon Ion Therapy Using the Timepix Detector.

Science.gov (United States)

Gwosch, K; Hartmann, B; Jakubek, J; Granja, C; Soukup, P; Jaekel, O; Martisikova, M

2012-06-01

Due to the high conformity of carbon ion therapy, unpredictable changes in the patient's geometry or deviations from the planned beam properties can result in changes of the dose distribution. PET has been used successfully to monitor the actual dose distribution in the patient. However, it suffers from biological washout processes and low detection efficiency. The purpose of this contribution is to investigate the potential of beam monitoring by detection of prompt secondary ions emerging from a homogeneous phantom, simulating a patient's head. Measurements were performed at the Heidelberg Ion-Beam Therapy Center (Germany) using a carbon ion pencil beam irradiated on a cylindrical PMMA phantom (16cm diameter). For registration of the secondary ions, the Timepix detector was used. This pixelated silicon detector allows position-resolved measurements of individual ions (256×256 pixels, 55μm pitch). To track the secondary ions we used several parallel detectors (3D voxel detector). For monitoring of the beam in the phantom, we analyzed the directional distribution of the registered ions. This distribution shows a clear dependence on the initial beam energy, width and position. Detectable were range differences of 1.7mm, as well as vertical and horizontal shifts of the beam position by 1mm. To estimate the clinical potential of this method, we measured the yield of secondary ions emerging from the phantom for a beam energy of 226MeV/u. The differential distribution of secondary ions as a function of the angle from the beam axis for angles between 0 and 90° will be presented. In this setup the total yield in the forward hemisphere was found to be in the order of 10 -1 secondary ions per primary carbon ion. The presented measurements show that tracking of secondary ions provides a promising method for non-invasive monitoring of ion beam parameters for clinical relevant carbon ion fluences. Research with the pixel detectors was carried out in frame of the Medipix

Ion chromatography of anions in the primary and secondary circuit

International Nuclear Information System (INIS)

Brandt, F.; Trost, R.

1984-01-01

Ion chromatography - though based on the same, well-established basic principles as gas chromatography and high pressure fluid chromatography - has made an actual breakthrough only in recent years. The adaptability of the process permits the measurement of samples of different composition or concentration. Some of the experience which has been accumulated in the laboratory at Goesgen nuclear power station during the last two years, is reported. This relates particularly to the composition of the samples, the need to use extremely pure calibration samples, the choice of special laboratory accessories and the like. (orig.) [de

The GOES-16 Energetic Heavy Ion Sensor (EHIS) Ion Composition and Flux Measurements

Science.gov (United States)

Connell, J. J.; Lopate, C.

2017-12-01

The Energetic Heavy Ion Sensor (EHIS) was built by the University of New Hampshire, subcontracted to Assurance Technology Corporation, as part of the Space Environmental In-Situ Suite (SEISS) on the new GOES-16 satellite (formerly GOES-R) in Geostationary orbit. EHIS measures energetic ions over the range 10-200 MeV for protons, and energy ranges for heavy ions corresponding to the same stopping range (e.g., 19-207 MeV/u for carbon and 38-488 MeV/u for iron). EHIS uses the Angle Detecting Inclined Sensors (ADIS) technique to provide single-element charge resolution. Though on an operational mission for Space Weather monitoring, EHIS can thus provide a new source of high quality Solar Particle Event (SPE) data for science studies. With a high rate of on-board processing ( 2000 events/s), EHIS will provide exceptional statistics for ion composition measurements in large SPEs. For the GOES Level 1-B and Level 2 data products, heavy ions are distinguished in EHIS using pulse-height analysis with on-board processing producing charge histograms for five energy bands. Fits to these data are normalized to priority rate data on the ground. The instrumental cadence for histograms is 1 minute and the primary Level 1-B heavy ion data products are 1-minute and 5-minute averages. We discuss the preliminary EHIS heavy ion data results which show elemental peaks from H to Fe, with peaks for the isotopes D and 3He. (GOES-16 was launched in 19 November, 2016 and data has, though July 2017, been dominated by Galactic Cosmic Rays.) The EHIS instrument development project was funded by NASA under contract NNG06HX01C.

Progress Towards a High-Precision Infrared Spectroscopic Survey of the H_3^+ Ion

Science.gov (United States)

Perry, Adam J.; Hodges, James N.; Markus, Charles R.; Kocheril, G. Stephen; Jenkins, Paul A., II; McCall, Benjamin J.

2015-06-01

The trihydrogen cation, H_3^+, represents one of the most important and fundamental molecular systems. Having only two electrons and three nuclei, H_3^+ is the simplest polyatomic system and is a key testing ground for the development of new techniques for calculating potential energy surfaces and predicting molecular spectra. Corrections that go beyond the Born-Oppenheimer approximation, including adiabatic, non-adiabatic, relativistic, and quantum electrodynamic corrections are becoming more feasible to calculate. As a result, experimental measurements performed on the H_3^+ ion serve as important benchmarks which are used to test the predictive power of new computational methods. By measuring many infrared transitions with precision at the sub-MHz level it is possible to construct a list of the most highly precise experimental rovibrational energy levels for this molecule. Until recently, only a select handful of infrared transitions of this molecule have been measured with high precision (˜ 1 MHz). Using the technique of Noise Immune Cavity Enhanced Optical Heterodyne Velocity Modulation Spectroscopy, we are aiming to produce the largest high-precision spectroscopic dataset for this molecule to date. Presented here are the current results from our survey along with a discussion of the combination differences analysis used to extract the experimentally determined rovibrational energy levels. O. Polyansky, et al., Phil. Trans. R. Soc. A (2012), 370, 5014. M. Pavanello, et al., J. Chem. Phys. (2012), 136, 184303. L. Diniz, et al., Phys. Rev. A (2013), 88, 032506. L. Lodi, et al., Phys. Rev. A (2014), 89, 032505. J. Hodges, et al., J. Chem. Phys (2013), 139, 164201.

Intense ion beam research at Los Alamos

International Nuclear Information System (INIS)

Rej, D.J.; Bartsch, R.R.; Davis, H.A.; Faehl, R.J.; Gautier, D.C.; Greenly, J.B.; Henins, I.; Linton, T.W.; Muenchausen, R.E.; Waganaar, W.J.

1992-01-01

Two new interdisciplinary programs are underway at Los Alamos involving the physics and technology of intense light ion beams. In contrast to high-power ICF applications, the LANL effort concentrates on the development of relatively low-voltage (50 to 800 kV) and long-pulsewidth (0.1 to 1 μs) beams. The first program involves the 1.2 MV, 300-kJ Anaconda generator which has been fitted with an extraction ion diode. Long pulsewidth ion beams have been accelerated, propagated, and extracted for a variety of magnetic field conditions. The primary application of this beam is the synthesis of novel materials. Initial experiments on the congruent evaporative deposition of metallic and ceramic thin films are reported. The second program involves the development of a 120-keV, 50-kA, 1-μs proton beam for the magnetic fusion program as an ion source for an intense diagnostic neutral beam. Ultra-bright, pulsed neutral beams will be required to successfully measure ion temperatures and thermalized alpha particle energy distributions in large, dense, ignited tokamaks such as ITER

Intense ion beam research at Los Alamos

International Nuclear Information System (INIS)

Rej, D.J.; Bartsch, R.R.; Davis, H.A.; Faehl, R.J.; Gautier, D.C.; Greenly, J.B.; Henins, I.; Linton, T.W.; Muenchausen, R.E.; Waganaar, W.J.

1993-01-01

Two new interdisciplinary programs are underway at Los Alamos involving the physics and technology of intense light ion beams. In contrast to high-power ICF applications, the LANL effort concentrates on the development of relatively low-voltage (50 to 800 kV) and long pulsewidth (0.1 to 1 μs) beams. The first program involves the 1.2 MV, 300-kJ Anaconda generator which has been fitted with an extraction ion diode. Long pulsewidth ion beams have been accelerated, propagated, and extracted for a variety of magnetic field conditions. The primary application of this beam is the synthesis of novel materials. Initial experiments on the congruent evaporative deposition of metallic and ceramic thin films are reported. The second program involves the development of a 120-keV, 50-kA, 1-μs proton beam for the magnetic fusion program as an ion source for an intense diagnostic neutral beam. Ultra-bright, pulsed neutral beams will be required to successfully measure ion temperatures and thermalized alpha particle distributions in large, dense, ignited tokamaks such as ITER

Drag of ballistic electrons by an ion beam

Energy Technology Data Exchange (ETDEWEB)

Gurevich, V. L.; Muradov, M. I., E-mail: mag.muradov@mail.ioffe.ru [Russian Academy of Sciences, Ioffe Physicotechnical Institute (Russian Federation)

2015-12-15

Drag of electrons of a one-dimensional ballistic nanowire by a nearby one-dimensional beam of ions is considered. We assume that the ion beam is represented by an ensemble of heavy ions of the same velocity V. The ratio of the drag current to the primary current carried by the ion beam is calculated. The drag current turns out to be a nonmonotonic function of velocity V. It has a sharp maximum for V near v{sub nF}/2, where n is the number of the uppermost electron miniband (channel) taking part in conduction and v{sub nF} is the corresponding Fermi velocity. This means that the phenomenon of ion beam drag can be used for investigation of the electron spectra of ballistic nanostructures. We note that whereas observation of the Coulomb drag between two parallel quantum wires may in general be complicated by phenomena such as tunneling and phonon drag, the Coulomb drag of electrons of a one-dimensional ballistic nanowire by an ion beam is free of such spurious effects.

Monte Carlo simulations of silicon sputtering by argon ions and an approach for comparison with molecular dynamic results

Energy Technology Data Exchange (ETDEWEB)

Feder, Rene; Frost, Frank; Mayr, Stefan G.; Neumann, Horst; Bundesmann, Carsten [Leibniz-Institut fuer Oberflaechenmodifizierung e.V., Leipzig (Germany)

2012-07-01

Ion beam sputter processes deliver some intrinsic features influencing the growing film properties. Utilisation of these features needs to know how primary ion properties and geometrical process conditions influence the energy and spatial distribution of the sputtered and scattered particles. Beside complex experiments simulations are helpful to explain the correlation between primary parameters and thin film properties. The paper presents first results of two simulation codes with completely different approaches: Monte Carlo (MC) calculations with help of the well known TRIM.SP code and Molecular Dynamics calculations with an in-house developed code. First results of both simulation principles are compared for Argon ion bombardment on a Silicon target. Furthermore, a special experimental setup is outlined for validation of modelling. The setup allows the variation of ion beam parameters (ion species, ion energy, ion incidence angle on the target) and the measurement of the properties of sputtered and scattered particles.

Silicon isotope ratio measurements by inductively coupled plasma tandem mass spectrometry for alteration studies of nuclear waste glasses

Energy Technology Data Exchange (ETDEWEB)

Gourgiotis, Alkiviadis, E-mail: alkiviadis.gourgiotis@irsn.fr [Institut de Radioprotection et de Sûreté Nucléaire (IRSN), PRP-DGE/SRTG/LT2S, Fontenay-aux-Roses (France); Ducasse, Thomas [CEA, DEN, DTCD, SECM, F-30207 Bagnols-sur-Cèze (France); Barker, Evelyne [Institut de Radioprotection et de Sûreté Nucléaire (IRSN), PRP-DGE/SRTG/LT2S, Fontenay-aux-Roses (France); Jollivet, Patrick; Gin, Stéphane [CEA, DEN, DTCD, SECM, F-30207 Bagnols-sur-Cèze (France); Bassot, Sylvain; Cazala, Charlotte [Institut de Radioprotection et de Sûreté Nucléaire (IRSN), PRP-DGE/SRTG/LT2S, Fontenay-aux-Roses (France)

2017-02-15

High-level, long-lived nuclear waste arising from spent fuel reprocessing is vitrified in silicate glasses for final disposal in deep geologic formations. In order to better understand the mechanisms driving glass dissolution, glass alteration studies, based on silicon isotope ratio monitoring of {sup 29}Si-doped aqueous solutions, were carried out in laboratories. This work explores the capabilities of the new type of quadrupole-based ICP-MS, the Agilent 8800 tandem quadrupole ICP-MS/MS, for accurate silicon isotope ratio determination for alteration studies of nuclear waste glasses. In order to avoid silicon polyatomic interferences, a new analytical method was developed using O{sub 2} as the reaction gas in the Octopole Reaction System (ORS), and silicon isotopes were measured in mass-shift mode. A careful analysis of the potential polyatomic interferences on SiO{sup +} and SiO{sub 2}{sup +} ion species was performed, and we found that SiO{sup +} ion species suffer from important polyatomic interferences coming from the matrix of sample and standard solutions (0.5M HNO{sub 3}). For SiO{sub 2}{sup +}, no interferences were detected, and thus, these ion species were chosen for silicon isotope ratio determination. A number of key settings for accurate isotope ratio analysis like, detector dead time, integration time, number of sweeps, wait time offset, memory blank and instrumental mass fractionation, were considered and optimized. Particular attention was paid to the optimization of abundance sensitivity of the quadrupole mass filter before the ORS. We showed that poor abundance sensitivity leads to a significant shift of the data away from the Exponential Mass Fractionation Law (EMFL) due to the spectral overlaps of silicon isotopes combined with different oxygen isotopes (i.e. {sup 28}Si{sup 16}O{sup 18}O{sup +}, {sup 30}Si{sup 16}O{sup 16}O{sup +}). The developed method was validated by measuring a series of reference solutions with different {sup 29}Si

Channeling regimes in ion surface scattering

NARCIS (Netherlands)

Robin, A; Heiland, W

We report on surface channeling experiments of singly charged ions on single crystal surfaces of Pt(1 1 0) and Pd(1 1 0). Using a time-of-flight system installed in forward direction we analyze the energy distribution of the scattered projectiles. By variation of the primary energy and the angle of

Facilitated ion transfer of protonated primary organic amines studied by square wave voltammetry and chronoamperometry

Energy Technology Data Exchange (ETDEWEB)

Torralba, E. [Departamento de Química Física, Facultad de Química, Universidad de Murcia, Murcia 30100 (Spain); Ortuño, J.A. [Departamento de Química Analítica, Facultad de Química, Universidad de Murcia, Murcia 30100 (Spain); Molina, A., E-mail: amolina@um.es [Departamento de Química Física, Facultad de Química, Universidad de Murcia, Murcia 30100 (Spain); Serna, C. [Departamento de Química Física, Facultad de Química, Universidad de Murcia, Murcia 30100 (Spain); Karimian, F. [Department of Chemistry, Faculty of Sciences, Ferdowsi University of Mashhad, Mashhad (Iran, Islamic Republic of)

2014-05-01

Highlights: • Facilitated ion transfer of organic protonated amines is studied. • Cyclic square wave voltammetry is used as main technique. • Complexation constants and standard ion transfer potentials are determined. • Diffusion coefficients in the organic and aqueous phases are determined. • The goodness of square wave voltammetry as analytical tool is shown. - Abstract: The transfer of the protonated forms of heptylamine, octylamine, decylamine, procaine and procainamide facilitated by dibenzo-18-crown-6 from water to a solvent polymeric membrane has been investigated by using cyclic square wave voltammetry. The experimental voltammograms obtained are in good agreement with theoretical predictions. The values of the standard ion transfer potential, complexation constant and diffusion coefficient in water have been obtained from these experiments, and have been used to draw some conclusions about the lipophilicity of these species and the relative stability of the organic ammonium complexes with dibenzo-18-crown-6. The results have been compared with those provided by linear sweep voltammetry. Calibration graphs were obtained with both techniques. An interesting chronoamperometric method for the determination of the diffusion coefficient of the target ion in the membrane has been developed and applied to all these protonated amines.

Laser ion source with long pulse width for RHIC-EBIS

International Nuclear Information System (INIS)

Kondo, K.; Kanesue, T.; Okamura, M.

2011-01-01

The Electron Beam Ion Source (EBIS) at Brookhaven National Laboratory is a new heavy ion-projector for RHIC and NASA Space Radiation Laboratory. Laser Ion Source (LIS) with solenoid can supply many kinds of ion from solid targets and is suitable for long pulse length with low current as ion provider for RHIC-EBIS. In order to understand a plasma behavior for fringe field of solenoid, we measure current, pulse width and total ion charges by a new ion probe. The experimental result indicates that the solenoid confines the laser ablation plasma transversely. Laser ion source needs long pulse length with limited current as primary ion provider for RHIC-EBIS. New ion probe can measure current distribution for the radial positions along z axis. The beam pulse length is not effected by magnetic field strength. However, the currents and charges decay with the distance from the end of solenoid. These results indicate that solenoid field has important role for plasma confinement not longitudinally but transversely and solenoid is able to have long pulse length with sufficient total ion charges. Moreover, the results are useful for a design of the extraction system for RHIC-EBIS.

Study of colloidal particles behaviour in the PWR primary circuit conditions

International Nuclear Information System (INIS)

Barale, M.

2006-12-01

EDF wants to understand, model and limit primary circuit contamination of Pressurized Water Reactors by colloidal particles resulting from corrosion. The electrostatic behaviour of representative oxide particles (cobalt ferrite, nickel ferrite and magnetite) has been studied in primary circuit conditions with the influence of boric acid and lithium hydroxide. The isoelectric point (IEP) and the point of zero charge (PZC) of particles, measured between 5 C and 320 C, exhibit a minimum towards 200 C. The thermodynamic constants of the protonation equilibrium of surface sites were calculated. When boric acid is added, zeta potential and IEP decrease because of borate ions sorption. On the contrary, there is not effect of lithium ions. The modelling of these results under conditions representative of primary circuit shows that these oxides exhibit a negative surface charge, explaining their sorption and adhesion behaviour. (author)

Power consumption in positive ion beam converter with electrostatic electron suppressor

International Nuclear Information System (INIS)

Hashimoto, Kiyoshi; Sugawara, Tohru

1985-01-01

The power recovery characteristics of an in-line direct beam converter provided with electrostatic electron suppressor were studied numerically by tracing the orbits of fast primary ions and secondary charged particles generated along their beam path by collision with background gas molecules. It is shown that, in reference to the electrostatic field potential at the point of impact, the energy distribution of secondary ions impinging on the suppressor has two peaks-one corresponding to a zone of high positive potential surrounding the collector and the other to one of slightly negative potential around the electron suppressor. Secondary electron emission from the suppressor is ascribed mainly to the latter peak, associated with impingement of slower secondary ions. Far much power consumed in secondary particle acceleration is spent for emitting electrons from the suppressor than for secondary ions generated by beam-gas collision. The upper limit of background pressure is discussed on the basis of criteria prescribed for restricting the power consumed in this secondary particle acceleration, as for practical convenience of electrode cooling. Numerical examples are given of calculations based on particle trajectory analysis of both primary ions and secondary particles, for the case of a 100 keV-proton sheet beam 10 cm thick of 35 mA/cm 2 current density. (author)

Symposium on fast atom and ion induced mass spectrometry of nonvolatile organic solids

International Nuclear Information System (INIS)

McNeal, C.J.

1982-01-01

The mechanisms of molecular and fragment ion production and the various parameters affecting ion yields were discussed by 6 invited speakers from Europe, Canada, and the US at this symposium. The work reported was almost equally divided between that using low-energy (keV) primary ion (or atom) beams, e.g. fast atom bombardment mass spectrometry (FABMS) and secondary ion mass spectrometry (SIMS) and that using high energy (MeV) particles, e.g. heavy ion induced mass spectrometry (HIIDMS) and 252 Cf-plasma desorption mass spectrometry ( 252 Cf-PDMS). Both theoretical foundations and observed experimental results for both techniques are included

Are clusters important in understanding the mechanisms in atmospheric pressure ionization? Part 1: Reagent ion generation and chemical control of ion populations.

Science.gov (United States)

Klee, Sonja; Derpmann, Valerie; Wißdorf, Walter; Klopotowski, Sebastian; Kersten, Hendrik; Brockmann, Klaus J; Benter, Thorsten; Albrecht, Sascha; Bruins, Andries P; Dousty, Faezeh; Kauppila, Tiina J; Kostiainen, Risto; O'Brien, Rob; Robb, Damon B; Syage, Jack A

2014-08-01

It is well documented since the early days of the development of atmospheric pressure ionization methods, which operate in the gas phase, that cluster ions are ubiquitous. This holds true for atmospheric pressure chemical ionization, as well as for more recent techniques, such as atmospheric pressure photoionization, direct analysis in real time, and many more. In fact, it is well established that cluster ions are the primary carriers of the net charge generated. Nevertheless, cluster ion chemistry has only been sporadically included in the numerous proposed ionization mechanisms leading to charged target analytes, which are often protonated molecules. This paper series, consisting of two parts, attempts to highlight the role of cluster ion chemistry with regard to the generation of analyte ions. In addition, the impact of the changing reaction matrix and the non-thermal collisions of ions en route from the atmospheric pressure ion source to the high vacuum analyzer region are discussed. This work addresses such issues as extent of protonation versus deuteration, the extent of analyte fragmentation, as well as highly variable ionization efficiencies, among others. In Part 1, the nature of the reagent ion generation is examined, as well as the extent of thermodynamic versus kinetic control of the resulting ion population entering the analyzer region.

Electrospray Ionization Mass Spectrometry: From Cluster Ions to Toxic metal Ions in Biology

Energy Technology Data Exchange (ETDEWEB)

Lentz, Nicholas B. [Iowa State Univ., Ames, IA (United States)

2007-01-01

This dissertation focused on using electrospray ionization mass spectrometry to study cluster ions and toxic metal ions in biology. In Chapter 2, it was shown that primary, secondary and quarternary amines exhibit different clustering characteristics under identical instrument conditions. Carbon chain length also played a role in cluster ion formation. In Chapters 3 and 4, the effects of solvent types/ratios and various instrumental parameters on cluster ion formation were examined. It was found that instrument interface design also plays a critical role in the cluster ion distribution seen in the mass spectrum. In Chapter 5, ESI-MS was used to investigate toxic metal binding to the [Gln¹¹]-amyloid β-protein fragment (1-16). Pb and Cd bound stronger than Zn, even in the presence of excess Zn. Hg bound weaker than Zn. There are endless options for future work on cluster ions. Any molecule that is poorly ionized in positive ion mode can potentially show an increase in ionization efficiency if an appropriate anion is used to produce a net negative charge. It is possible that drug protein or drug/DNA complexes can also be stabilized by adding counter-ions. This would preserve the solution characteristics of the complex in the gas phase. Once in the gas phase, CID could determine the drug binding location on the biomolecule. There are many research projects regarding toxic metals in biology that have yet to be investigated or even discovered. This is an area of research with an almost endless future because of the changing dynamics of biological systems. What is deemed safe today may show toxic effects in the future. Evolutionary changes in protein structures may render them more susceptible to toxic metal binding. As the understanding of toxicity evolves, so does the demand for new toxic metal research. New instrumentation designs and software make it possible to perform research that could not be done in the past. What was undetectable yesterday will

Predicting ion exchange resins decontamination factors. Experiments on synthetic primary coolant containing Ni, Co and Ag and modeling results

International Nuclear Information System (INIS)

Bachet, Martin; Schneider, Hélène; Jauberty, Loïc; Windt, Laurent De; Dieuleveult, Caroline de; Tevissen, Etienne

2014-01-01

Experiments performed under chemical and flow conditions representative of pressurized water reactors (PWR) primary fluid purification by ion exchange resins (Amberlite IRN9882) are modeled with the OPTIPUR code, considering 1D reactive transport in the mixed-bed column with convective/dispersive transport between beads and electro-diffusive transport within the boundary film around the beads. The effectiveness of the purification in these dilute conditions is highly related to film mass transfer restrictions, which are accounted for by adjustment of a common mass transfer coefficient (MTC) on the experimental initial leakage or modeling of species diffusion through the bead film by the Nernst-Planck equation. A detailed analysis of the modeling against experimental data shows that the Nernst-Planck approach with no adjustable parameters performs as well as, or better, than the MTC approach, particularly to simulate the chromatographic elution of silver by nickel and the subsequent enrichment of the solution in the former metal. (author)

Method of eliminating cruds in the primary coolants of reactors

International Nuclear Information System (INIS)

Tamura, Takaaki.

1984-01-01

Purpose: To eliminate cruds in the primary coolants by using rind of onions or peanuts. Method: Since cruds contained in the reactor primary coolants increase the radioactive exposure to reactor operators, they have been intended to remove by ion exchange resins. In this invention, rind of onions or peanuts are crushed into an adequate particle size and packed into an absorption column instead of ion exchange resins into which primary coolants are circulated. The powderous onions or peanuts rind contain glucoside such as cosmosiin and has an effect of cationic exchanger, they satisfactorily catch heavy metals such as Fe and Cu. They have an excellent filtering effect even under a high pH condition and are excellent in economical point of view. They can be decrease the volume of the absorption column, reduce their devolume after use through corrosion and easily subjected to waste procession through oxidizing combustion in liquid. (Nakamoto, H.)

Enhancement of strong-field multiple ionization in the vicinity of the conical intersection in 1,3-cyclohexadiene ring opening

International Nuclear Information System (INIS)

Petrovic, Vladimir S.; Kim, Jaehee; Schorb, Sebastian; White, James; Cryan, James P.; Zipp, Lucas; Glownia, J. Michael; Broege, Douglas; Miyabe, Shungo; Tao, Hongli; Martinez, Todd; Bucksbaum, Philip H.

2013-01-01

Nonradiative energy dissipation in electronically excited polyatomic molecules proceeds through conical intersections, loci of degeneracy between electronic states. We observe a marked enhancement of laser-induced double ionization in the vicinity of a conical intersection during a non-radiative transition. We measured double ionization by detecting the kinetic energy of ions released by laser-induced strong-field fragmentation during the ring-opening transition between 1,3-cyclohexadiene and 1,3,5-hexatriene. The enhancement of the double ionization correlates with the conical intersection between the HOMO and LUMO orbitals

The use of fibrous ion exchangers in gold hydrometallurgy

Science.gov (United States)

Kautzmann, R. M.; Sampaio, C. H.; Cortina, J. L.; Soldatov, V.; Shunkevich, A.

2002-10-01

This article examines a family of ion-exchange fibers, FIBAN, containing primary and secondary amine groups. These ion exchangers have a fiber diameter of 20 40 Μm, high osmotic and mechanic stability, a high rate of adsorption and regeneration, and excellent dynamic characteristics as filtering media. Inparticular, this article discusses the use of FIBAN fibrous ion exchangers in the recovery of gold cyanide andbase-metal cyanides (copper and mercury) from mineral-leaching solutions. The influence of polymer structure and water content on their extraction ability is described, along with key parameters of gold hydrometallurgy such as extraction efficiency, selectivity, pH dependence, gold cyanide loading, kinetics, and stripping.

New Signal Readout Principle for Solid-Contact Ion-Selective Electrodes.

Science.gov (United States)

Vanamo, Ulriika; Hupa, Elisa; Yrjänä, Ville; Bobacka, Johan

2016-04-19

A novel approach to signal transduction concerning solid-contact ion-selective electrodes (SC-ISE) with a conducting polymer (CP) as the solid contact is investigated. The method presented here is based on constant potential coulometry, where the potential of the SC-ISE vs the reference electrode is kept constant using a potentiostat. The change in the potential at the interface between the ion-selective membrane (ISM) and the sample solution, due to the change in the activity of the primary ion, is compensated with a corresponding but opposite change in the potential of the CP solid contact. This enforced change in the potential of the solid contact results in a transient reducing/oxidizing current flow through the SC-ISE. By measuring and integrating the current needed to transfer the CP to a new state of equilibrium, the total cumulated charge that is linearly proportional to the change of the logarithm of the primary ion activity is obtained. In this work, different thicknesses of poly(3,4-ethylenedioxythiophene) (PEDOT) doped with poly(styrenesulfonate) (PSS) were used as solid contact. Also, coated wire electrodes (CWEs) were included in the study to show the general validity of the new approach. The ISM employed was selective for K(+) ions, and the selectivity of the membrane under implementation of the presented transduction mechanism was confirmed by measurements performed with a constant background concentration of Na(+) ions. A unique feature of this signal readout principle is that it allows amplification of the analytical signal by increasing the capacitance (film thickness) of the solid contact of the SC-ISE.

MUPPATS: a multiparticle 3D imaging detector system

International Nuclear Information System (INIS)

Faibis, A.; Koenig, W.; Kanter, E.P.; Vager, Z.

1985-01-01

It has long been recognized that the foil-induced dissociation of fast molecular ions is a potentially powerful method to determine the stereochemical structures of the molecular projectiles. We have recently developed a detector system specifically designed for such experiments. The MUPPATS detector is a large-area multistep low pressure gas counter. The requirements of multiparticle detection with good position and time resolution leads to a rather complex data-readout and reduction scheme. The system relies on several state-of-the-art techniques, developed in high-energy physics during recent years, to dramatically reduce the cost of the MUPPATS detector. Preliminary results for several polyatomic molecular ions have already been obtained. Some new avenues of research opened up by this detector are also described

International Space Station Lithium-Ion Main Battery Thermal Runaway Propagation Test

Science.gov (United States)

Dalton, Penni J.; North, Tim

2017-01-01

In 2010, the ISS Program began the development of Lithium-Ion (Li-Ion) batteries to replace the aging Ni-H2 batteries on the primary Electric Power System (EPS). After the Boeing 787 Li-Ion battery fires, the NASA Engineering and Safety Center (NESC) Power Technical Discipline Team was tasked by ISS to investigate the possibility of Thermal Runaway Propagation (TRP) in all Li-Ion batteries used on the ISS. As part of that investigation, NESC funded a TRP test of an ISS EPS non-flight Li-Ion battery. The test was performed at NASA White Sands Test Facility in October 2016. This paper will discuss the work leading up to the test, the design of the test article, and the test results.

Heating tokamaks via the ion-cyclotron and ion-ion hybrid resonances

International Nuclear Information System (INIS)

Perkins, F.W.

1977-04-01

For the ion-ion hybrid resonance it is shown that: (1) the energy absorption occurs via a sequence of mode conversions; (2) a poloidal field component normal to the ion-ion hybrid mode conversion surface strongly influences the mode conversion process so that roughly equal electron and ion heating occurs in the present proton-deuterium experiments, while solely electron heating is predicted to prevail in deuterium-tritium reactors; (3) the ion-ion hybrid resonance suppresses toroidal eigenmodes; and (4) wave absorption in minority fundamental ion-cyclotron heating experiments will be dominated by ion-ion hybrid mode conversion absorption for minority concentrations exceeding roughly 1 percent. For the ion-cyclotron resonance, it is shown that: (1) ion-cyclotron mode conversion leads to surface electron heating; and (2) ion-cyclotron mode conversion absorption dominates fundamental ion-cyclotron absorption thereby preventing efficient ion heating

A comparison of atom and ion induced SSIMS - evidence for a charge induced damage effect in insulator materials

International Nuclear Information System (INIS)

Brown, A.; Berg, J.A. van den; Vickerman, J.C.

1985-01-01

A static secondary ion mass spectrometry (SSIMS) study of two very low conductivity materials, polystyrene and niobium pentoxide, using on the one hand a primary ion beam with electron neutralisation, and on the other, atom bombardment, shows that whilst the initial spectra obtained were quite similar, subsequent damage effects were much greater under ion impact conditions. For an equivalent flux density the half-life of the polystyrene surface structure was four times longer under atom bombardment. Significant reduction of the niobium surface was observed under ion bombardment whereas an equivalent atom flux had little apparent effect on the surface oxidation state. These data suggest that the requirement to dissipate the charge delivered to the sample by the primary ion beam contributes significantly to the damage mechanisms in electrically insulating materials. (author)

Impulsive ion acceleration in earth's outer magnetosphere

International Nuclear Information System (INIS)

Baker, D.N.; Belian, R.D.

1985-01-01

Considerable observational evidence is found that ions are accelerated to high energies in the outer magnetosphere during geomagnetic disturbances. The acceleration often appears to be quite impulsive causing temporally brief (10's of seconds), very intense bursts of ions in the distant plasma sheet as well as in the near-tail region. These ion bursts extend in energy from 10's of keV to over 1 MeV and are closely associated with substorm expansive phase onsets. Although the very energetic ions are not of dominant importance for magnetotail plasma dynamics, they serve as an important tracer population. Their absolute intensity and brief temporal appearance bespeaks a strong and rapid acceleration process in the near-tail, very probably involving large induced electric fields substantially greater than those associated with cross-tail potential drops. Subsequent to their impulsive acceleration, these ions are injected into the outer trapping regions forming ion ''drift echo'' events, as well as streaming tailward away from their acceleration site in the near-earth plasma sheet. Most auroral ion acceleration processes occur (or are greatly enhanced) during the time that these global magnetospheric events are occurring in the magnetotail. A qualitative model relating energetic ion populations to near-tail magnetic reconnection at substorm onset followed by global redistribution is quite successful in explaining the primary observational features. Recent measurements of the elemental composition and charge-states have proven valuable for showing the source (solar wind or ionosphere) of the original plasma population from which the ions were accelerated

An advanced kinetic theory for morphing continuum with inner structures

Science.gov (United States)

Chen, James

2017-12-01

Advanced kinetic theory with the Boltzmann-Curtiss equation provides a promising tool for polyatomic gas flows, especially for fluid flows containing inner structures, such as turbulence, polyatomic gas flows and others. Although a Hamiltonian-based distribution function was proposed for diatomic gas flow, a general distribution function for the generalized Boltzmann-Curtiss equations and polyatomic gas flow is still out of reach. With assistance from Boltzmann's entropy principle, a generalized Boltzmann-Curtiss distribution for polyatomic gas flow is introduced. The corresponding governing equations at equilibrium state are derived and compared with Eringen's morphing (micropolar) continuum theory derived under the framework of rational continuum thermomechanics. Although rational continuum thermomechanics has the advantages of mathematical rigor and simplicity, the presented statistical kinetic theory approach provides a clear physical picture for what the governing equations represent.

Algorithm for statistical noise reduction in three-dimensional ion implant simulations

International Nuclear Information System (INIS)

Hernandez-Mangas, J.M.; Arias, J.; Jaraiz, M.; Bailon, L.; Barbolla, J.

2001-01-01

As integrated circuit devices scale into the deep sub-micron regime, ion implantation will continue to be the primary means of introducing dopant atoms into silicon. Different types of impurity profiles such as ultra-shallow profiles and retrograde profiles are necessary for deep submicron devices in order to realize the desired device performance. A new algorithm to reduce the statistical noise in three-dimensional ion implant simulations both in the lateral and shallow/deep regions of the profile is presented. The computational effort in BCA Monte Carlo ion implant simulation is also reduced

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

A theory is presented that describes the matched potential method (MPM) for the determination of the potentiometric selectivity coefficients (KA,Bpot) of ion-selective electrodes for two ions with any charge. This MPM theory is based on electrical diffuse layers on both the membrane and the aqueous side of the interface, and is therefore independent of the Nicolsky-Eisenman equation. Instead, the Poisson equation is used and a Boltzmann distribution is assumed with respect to all charged species, including primary, interfering and background electrolyte ions located at the diffuse double layers. In this model, the MPM-selectivity coefficients of ions with equal charge (ZA = ZB) are expressed as the ratio of the concentrations of the primary and interfering ions in aqueous solutions at which the same amounts of the primary and interfering ions permselectively extracted into the membrane surface. For ions with unequal charge (ZA not equal to ZB), the selectivity coefficients are expressed as a function not only of the amounts of the primary and interfering ions permeated into the membrane surface, but also of the primary ion concentration in the initial reference solution and the delta EMF value. Using the measured complexation stability constants and single ion distribution coefficients for the relevant systems, the corresponding MPM selectivity coefficients can be calculated from the developed MPM theory. It was found that this MPM theory is capable of accurately and precisely predicting the MPM selectivity coefficients for a series of ion-selective electrodes (ISEs) with representative ionophore systems, which are generally in complete agreement with independently determined MPM selectivity values from the potentiometric measurements. These results also conclude that the assumption for the Boltzmann distribution was in fact valid in the theory. The recent critical papers on MPM have pointed out that because the MPM selectivity coefficients are highly concentration

Catalytic oxidation of silicon by cesium ion bombardment

International Nuclear Information System (INIS)

Souzis, A.E.; Huang, H.; Carr, W.E.; Seidl, M.

1991-01-01

Results for room-temperature oxidation of silicon using cesium ion bombardment and low oxygen exposure are presented. Bombardment with cesium ions is shown to allow oxidation at O 2 pressures orders of magnitude smaller than with noble gas ion bombardment. Oxide layers of up to 30 A in thickness are grown with beam energies ranging from 20--2000 eV, O 2 pressures from 10 -9 to 10 -6 Torr, and total O 2 exposures of 10 0 to 10 4 L. Results are shown to be consistent with models indicating that initial oxidation of silicon is via dissociative chemisorption of O 2 , and that the low work function of the cesium- and oxygen-coated silicon plays the primary role in promoting the oxidation process

Fullerene genesis by ion beams

International Nuclear Information System (INIS)

Gamaly, E.G.; Chadderton, L.T.; Commonwealth Scientific and Industrial Research Organization, Lindfield, NSW

1995-01-01

Clearly detectable quantities of molecular fullerene (C 60 ), the most recently discovered allotrope of carbon, have been observed in graphite following irradiation with heavy projectile ions at energies of about 1 GeV using high pressure chromatography. Similar experiments using lower ion energies gave no corresponding signal, indicating an absence of fullerene. This clear difference suggests that there exists an energy threshold for fullerene genesis. Beginning with a microscopic description of deposition and transfer of energy from the ion to the target, a theoretical model is developed for interpretation of these and similar experiments. An important consequence is a description of the formation of large carbon clusters in the hot dense 'primeval soup' of single carbon atoms by means of random 'sticky' collisions. The ion energy threshold is seen as arising, physically, from a balance in the competition between the rate of primary energy deposition and the rate of system cooling. Rate equations for the basic clustering process allow calculations of the time-dependent number densities for the different carbon clusters produced. An important consequence of the theory is that it is established that the region for the specific phase transition from graphite to fullerene lies in the same pressure regime on the phase diagram as does the corresponding transition for graphite to diamond. (author)

Imaging a multidimensional multichannel potential energy surface: Photodetachment of H{sup −}(NH{sub 3}) and NH{sub 4}{sup −}

Energy Technology Data Exchange (ETDEWEB)

Hu, Qichi; Johnson, Christopher J.; Continetti, Robert E., E-mail: hguo@umn.edu, E-mail: rcontinetti@ucsd.edu [Department of Chemistry and Biochemistry, University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093-0340 (United States); Song, Hongwei; Guo, Hua, E-mail: hguo@umn.edu, E-mail: rcontinetti@ucsd.edu [Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131 (United States); Li, Jun [School of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400044 (China)

2016-06-28

Probes of the Born-Oppenheimer potential energy surfaces governing polyatomic molecules often rely on spectroscopy for the bound regions or collision experiments in the continuum. A combined spectroscopic and half-collision approach to image nuclear dynamics in a multidimensional and multichannel system is reported here. The Rydberg radical NH{sub 4} and the double Rydberg anion NH{sub 4}{sup −} represent a polyatomic system for benchmarking electronic structure and nine-dimensional quantum dynamics calculations. Photodetachment of the H{sup −}(NH{sub 3}) ion-dipole complex and the NH{sub 4}{sup −} DRA probes different regions on the neutral NH{sub 4} PES. Photoelectron energy and angular distributions at photon energies of 1.17, 1.60, and 2.33 eV compare well with quantum dynamics. Photoelectron-photofragment coincidence experiments indicate dissociation of the nascent NH{sub 4} Rydberg radical occurs to H + NH{sub 3} with a peak kinetic energy of 0.13 eV, showing the ground state of NH{sub 4} to be unstable, decaying by tunneling-induced dissociation on a time scale beyond the present scope of multidimensional quantum dynamics.

Generation of zonal flows by ion-temperature-gradient and related modes in the presence of neoclassical viscosity

International Nuclear Information System (INIS)

Mikhailovskii, A.B.; Smolyakov, A.I.; Kovalishen, E.A.; Shirokov, M.S.; Tsypin, V.S.; Galvao, R.M.O.

2006-01-01

Generation of zonal flows by primary waves that are more complex than those considered in the standard drift-wave model is studied. The effects of parallel ion velocity and ion perturbed temperature and the part of the nonlinear mode interaction proportional to the ion pressure are taken into account. This generalization of the standard model allows the analysis of generation of zonal flows by a rather wide variety of primary modes, including ion temperature gradients, ion sound, electron drift, and drift-sound modes. All the listed effects, which are present in the slab geometry model, are complemented by effects of neoclassical viscosity inherent to toroidal geometry. We show that the electrostatic potential of secondary small-scale modes is expressed in terms of a nonlinear shift of the mode frequency and interpret this shift in terms of the perpendicular and parallel Doppler, nonlinear Kelvin-Helmholtz (KH), and nonlinear ion-pressure-gradient effects. A basic assumption of our model is that the primary modes form a nondispersive monochromatic wave packet. The analysis of zonal-flow generation is performed following an approach similar to that of convective-cell theory. Neoclassical zonal-flow instabilities are separated into fast and slow ones, and these are divided into two varieties. The first of them is independent of the nonlinear KH effect, while the second one is sensitive to it

Ion spectroscopy for improvement of the physical beam model for therapy planning in ion beam therapy

Energy Technology Data Exchange (ETDEWEB)

Arico, Giulia

2016-11-23

Helium and carbon ions enable a more conformal dose distribution, narrower penumbra and higher relative biological effectiveness than photon and proton radiotherapy. However, they may undergo nuclear fragmentation in the patient tissues and the arising secondary fragments affect the delivered biological dose distributions. Currently there is a lack of data regarding ion nuclear fragmentation. One reason is the large size (up to some meters) of the experimental setups required for the investigations. In this thesis a new method is presented, which makes use of versatile pixelated semiconductor detectors (Timepix). This method is based on tracking of single particles and pattern recognition of their signals in the detectors. Measurements were performed at the HIT facility. The mixed radiation field arising from 430 MeV/u carbon ion beams and 221 MeV/u helium ion beams in water and in PMMA targets was investigated. The amounts of primary (carbon or helium) ions detected behind targets with the same water equivalent thickness (WET) were found to be in agreement within the statistical uncertainties. However, more fragments (differences up to 20% in case of H) and narrower lateral particle distributions were measured behind the PMMA than the water targets. The spectra of ions behind tissue surrogates and corresponding water targets with the same WET were analysed. The results obtained with adipose and inner bone surrogates and with the equivalent water phantoms were found to be consistent within the uncertainties. Significant differences in the results were observed in the case of lung and cortical bone surrogates when compared to the water phantoms. The experimental results were compared to FLUKA Monte Carlo simulations. This comparison could contribute to enhance the ion interaction models currently implemented for {sup 12}C and {sup 4}He ion beams.

Advances in Charge-Compensation in Secondary Ion Mass Spectrometry (SIMS)

Science.gov (United States)

Hervig, R. L.; Chen, J.; Schauer, S.; Stanley, B. D.; Moore, G. M.; Roggensack, K.

2012-12-01

In secondary ion mass spectrometry (SIMS), a sample is bombarded by a charged particle beam (the primary ion) and sputtered positive or negative secondary ions are analyzed in a mass spectrometer. When the target is not conducting (like many geological materials), sample charging can result in variable deflection of secondary ions away from the mass spectrometer and a low, unstable, or absent signal. Applying a thin conducting coat (e.g., C, Au) to polished samples is required, and if the primary ion beam is negatively-charged, the build-up of negative charge can be alleviated by secondary electrons draining to the conducting coat at the edge of the crater (if a positive potential is applied to the sample for the collection of positive secondary ions) or accelerated away from the crater (if a negative potential is applied for negative ion study). Unless the sputtered crater in the conducting coat becomes too large, sample charging can be kept at a controllable level, and high-quality trace element analyses and isotope ratios have been obtained using this technique over the past 3+ decades. When a positive primary beam is used, the resulting build-up of positive charge in the sample requires an electron gun to deliver sufficient negative charge to the sputtered crater. While there are many examples of successful analyses using this approach, the purpose of this presentation is to describe a very simple technique for aligning the electron gun on Cameca nf and 1270/80 SIMS instruments. This method allows reproducible analyses of insulating phases with a Cs+ primary beam and detection of negative secondary ions. Normally, the filament voltage on the E-gun is the same as the sample voltage; thus electrons do not strike the sample except when a positive charge has built up (e.g., in the analysis crater!). In this method, we decrease the sample voltage by 3 or more kV, so that the impact energy of the electrons is sufficient to induce a cathodoluminescent (CL) image on an

Radiation effects on ion exchange materials

Energy Technology Data Exchange (ETDEWEB)

Gangwer, T.E.; Goldstein, M.; Pillay, K.K.S.

1977-11-01

An extensive literature review and data compilation has been completed on the radiation-damage of ion exchange resins. The primary goal of the study has been to review the available literature on ion exchange materials used in, as well as those with potential for use in, the nuclear fuel and waste reprocessing areas. The physical and chemical properties of ion exchangers are reviewed. Experimental parameters useful in characterizing the effects of radiation on synthetic ion exchange resins are identified or defined. In compiling the diverse types of data, an effort was made to present the experimental data or experimentally based parameters in a format that would be useful for inter-comparing radiation effects on resins. When subject to radiation there are various general trends or qualitative effects displayed by the different types of resins. These radiation-trends and effects have been formulated into qualitative statements. The present day level of understanding of the behavior of resins under ionizing radiation is too limited to justify quantitative predictive modeling. The limitations and deficiencies of the literature are discussed and the experimentation needed to achieve quantitative modeling are outlined. 14 figs., 108 references.

Radiation effects on ion exchange materials

International Nuclear Information System (INIS)

Gangwer, T.E.; Goldstein, M.; Pillay, K.K.S.

1977-11-01

An extensive literature review and data compilation has been completed on the radiation-damage of ion exchange resins. The primary goal of the study has been to review the available literature on ion exchange materials used in, as well as those with potential for use in, the nuclear fuel and waste reprocessing areas. The physical and chemical properties of ion exchangers are reviewed. Experimental parameters useful in characterizing the effects of radiation on synthetic ion exchange resins are identified or defined. In compiling the diverse types of data, an effort was made to present the experimental data or experimentally based parameters in a format that would be useful for inter-comparing radiation effects on resins. When subject to radiation there are various general trends or qualitative effects displayed by the different types of resins. These radiation-trends and effects have been formulated into qualitative statements. The present day level of understanding of the behavior of resins under ionizing radiation is too limited to justify quantitative predictive modeling. The limitations and deficiencies of the literature are discussed and the experimentation needed to achieve quantitative modeling are outlined. 14 figs., 108 references

Ion beam sputter implantation method

International Nuclear Information System (INIS)

King, W.J.

1978-01-01

By means of ion beam atomizing or sputtering an integrally composed coating, the composition of which continuously changes from 100% of the substrate to 100% of the coating, can be surfaced on a substrate (e.g. molten quartz on plastic lenses). In order to do this in the facility there is directed a primary beam of accelerated noble gas ions on a target from the group of the following materials: SiO 2 , Al 2 O 3 , Corning Glass 7070, Corning Glass 7740 or borosilicate glass. The particles leaving the target are directed on the substrate by means of an acceleration potential of up to 10 KV. There may, however, be coated also metal layers (Ni, Co) on a mylar film resulting in a semireflecting metal film. (RW) [de

Systematic investigations of low energy Ar ion beam sputtering of Si and Ag

Energy Technology Data Exchange (ETDEWEB)

Feder, R., E-mail: rene.feder@iom-leipzig.de [Leibniz-Institut für Oberflächenmodifizierung, Permoserstraße 15, 04318 Leipzig (Germany); Frost, F.; Neumann, H.; Bundesmann, C.; Rauschenbach, B. [Leibniz-Institut für Oberflächenmodifizierung, Permoserstraße 15, 04318 Leipzig (Germany)

2013-12-15

Ion beam sputter deposition (IBD) delivers some intrinsic features influencing the growing film properties, because ion properties and geometrical process conditions generate different energy and spatial distributions of the sputtered and scattered particles. Even though IBD has been used for decades, the full capabilities are not investigated systematically and specifically used yet. Therefore, a systematic and comprehensive analysis of the correlation between the properties of the ion beam, the generated secondary particles and backscattered ions and the deposited films needs to be done. A vacuum deposition chamber has been set up which allows ion beam sputtering of different targets under variation of geometrical parameters (ion incidence angle, position of substrates and analytics in respect to the target) and of ion beam parameters (ion species, ion energy) to perform a systematic and comprehensive analysis of the correlation between the properties of the ion beam, the properties of the sputtered and scattered particles, and the properties of the deposited films. A set of samples was prepared and characterized with respect to selected film properties, such as thickness and surface topography. The experiments indicate a systematic influence of the deposition parameters on the film properties as hypothesized before. Because of this influence, the energy distribution of secondary particles was measured using an energy-selective mass spectrometer. Among others, experiments revealed a high-energetic maximum for backscattered primary ions, which shifts with increasing emission angle to higher energies. Experimental data are compared with Monte Carlo simulations done with the well-known Transport and Range of Ions in Matter, Sputtering version (TRIM.SP) code [J.P. Biersack, W. Eckstein, Appl. Phys. A: Mater. Sci. Process. 34 (1984) 73]. The thicknesses of the films are in good agreement with those calculated from simulated particle fluxes. For the positions of the

Fine structures and ion images on fresh frozen dried ultrathin sections by transmission electron and scanning ion microscopy

International Nuclear Information System (INIS)

Takaya, K.; Okabe, M.; Sawataishi, M.; Takashima, H.; Yoshida, T.

2003-01-01

Ion microscopy (IM) of air-dried or freeze-dried cryostat and semi-thin cryosections has provided ion images of elements and organic substances in wide areas of the tissue. For reproducible ion images by a shorter time of exposure to the primary ion beam, fresh frozen dried ultrathin sections were prepared by freezing the tissue in propane chilled with liquid nitrogen, cryocut at 60 nm, mounted on grids and silicon wafer pieces, and freeze-dried. Rat Cowper gland and sciatic nerve, bone marrow of the rat administered of lithium carbonate, tree frog and African toad spleen and buffy coat of atopic dermatitis patients were examined. Fine structures and ion images of the corresponding areas in the same or neighboring sections were observed by transmission electron microscopy (TEM) followed by sector type and time-of-flight type IM. Cells in the buffy coat contained larger amounts of potassium and magnesium while plasma had larger amounts of sodium and calcium. However, in the tissues, lithium, sodium, magnesium, calcium and potassium were distributed in the cell and calcium showed a granular appearance. A granular cell of the tree frog spleen contained sodium and potassium over the cell and magnesium and calcium were confined to granules

Tritium permeation in stainless-steel structures exposed to plasma ions

International Nuclear Information System (INIS)

Anderl, R.A.; Holland, D.F.; Struttmann, D.A.; Longhurst, G.R.; Merrill, B.J.

1985-01-01

This paper presents a comparison of the hydrogen permeation properties of the austenitic primary candidate alloy, PCA, and of the advanced ferritic alloy, HT-9. The comparison is based on experimental measurements of the permeation and reemission of deuterium from specimens undergoing implantation with 3-keV, D 3 + ions produced by an accelerator. Characterization of the specimen surface facing the ion beam is provided by secondary ion mass spectrometer (SIMS) analysis of the species sputtered from the surface during the implantation. Recombination and diffusivity data for PCA and HT-9 were derived from an analysis in which model calculations were applied to the reemission and permeation measurements

Development of a nuclear data base for relativistic ion beams

International Nuclear Information System (INIS)

Townsend, L.W.; Wong, M.; Schimmerling, W.; Wilson, J.W.

1987-01-01

The primary limitation on the development of heavy ion beam transport methods is the lack of an accurate nuclear data base. Because of the large number of ion/target combinations, the complexity of the reaction products, and the broad range of energies required, it is unlikely that the data base will ever be compiled from experiments alone. For the last 15 years, relativistic heavy-ion accelerators have been available, but the experimental data base remains inadequate. However, theoretical models of heavy-ion reactions are being derived to provide cross section data for beam transport problems. A concurrent experimental program to provide sufficient experimental data to validate the model is also in progress. Model development and experimental results for model validation are discussed. The need for additional nuclear fragmentation data is identified

Plasma properties of a modified beam-plasma type ion source

International Nuclear Information System (INIS)

Ishikawa, Junzo; Sano, Fumimichi; Tsuji, Hiroshi; Ektessabi, A.M.; Takagi, Toshinori

1978-01-01

The properties of the plasma produced by beam-plasma discharge were experimentally investigated. The ion source used for this work consists of three parts, that is, the ion-extracting region with an electron gun, the drift space and the collector region. Primary and secondary electron beams are injected in to the drift tube. The interaction between plasma and these electron beams causes production of high density plasma by virtue of the beam-plasma discharge. The gas inlet is located in the middle of the drift tube, so that the gas conductance is high. The energy of the primary and secondary electron beams is transferred to that microwaves through beam-plasma interaction. The microwaves heat the plasma electrons by the cyclotron resonance or other mechanism. The amount of the energetic plasma electrons is much larger than that of the beam electrons, so that neutral gas is ionized. The density of the produced plasma is 10 2 or 10 3 times as large as the plasma produced by impact ionization. With a probe located in the middle of the drift tube, the plasma density and the electron temperature can be measured, and the power and spectra of the microwaves can be detected. The microwave oscillation, the primary electron beam characteristics, and the gas pressure characteristics were studied. Larger current of the high energy primary of secondary electron beam is required for the effective discharge. The ion source has to be operated at the minimum gas pressure. The length of beam-plasma interaction and the magnetic field intensity in the drift tube are also important parameters. (Kato, T.)

Effect of co-doping Tm3+ ions on the emission properties of Dy3+ ions in tellurite glasses

International Nuclear Information System (INIS)

Sasikala, T.; Rama Moorthy, L.; Mohan Babu, A.; Srinivasa Rao, T.

2013-01-01

The present work reports the absorption, photoluminescence and decay properties of singly doped Dy 3+ and co-doped Dy 3+ /Tm 3+ ions in TeO 2 +ZnO+K 2 O+CaO (TZKC) glasses prepared by the melt quenching technique. The glassy nature of the host glass has been confirmed by X-ray diffraction analysis and the primary vibrational modes were determined from the Raman spectrum. Judd–Ofelt (JO) analysis has been used to calculate the radiative transition rates, branching ratios and radiative lifetime of the emitting 4 F 9/2 state. The effect of co-doping of different concentrations of Tm 3+ ions on the emission properties of Dy 3+ ions has been investigated. The decay profiles of the 4 F 9/2 level were fitted to double exponential as well as Inokuti–Hirayama (IH) model to determine the energy transfer rates between Dy 3+ and Tm 3+ ions. The energy transfer rates found to increase with the increase of Tm 3+ ions concentration. The chromaticity coordinates and color purity of the emitted light for all glasses were determined. - Graphical abstract: The graphical abstract shows the emission spectra of Dy 3+ , Tm 3+ and Dy 3+ /Tm 3+ co-doped TZKC glasses recorded by exciting at 355 nm wavelength. - Highlights: • Zinc tellurite glasses doped with Dy 3+ , Tm 3+ and Dy 3+ /Tm 3+ ions were prepared. • XRD, DTA and Raman spectral measurements were recorded to know the nature of host. • Energy transfer occurs from Dy 3+ ions to Tm 3+ ions. • The color purity of the emitted light was determined

The scattering of low energy helium ions and atoms from a copper single crystal, ch. 2

International Nuclear Information System (INIS)

Verheij, L.K.; Poelsema, B.; Boers, A.L.

1976-01-01

The scattering of 4-10 keV helium ions from a copper surface cannot be completely described with elastic, single collisions. The general behaviour of the measured energy and width of the surface peak can be explained by differences in inelastic energy losses for scattering from an ideal surface and from surface structures (damage). Multiple scattering effects have a minor influence. Additional information about the inelastic processes is obtained from scattering experiments with a primary atom beam. For large angles of incidence, the energy of the reflected ions is reduced about 20 eV if the primary beam consists of atoms instead of ions. An explanation of this effect and an explanation of the different behaviour of small angles is given. In the investigated energy range, the electronic stopping power might depend on the charge state of the primary particles. The experimental results are rather well explained by the Lindhard, Scharff, Schioett theory

Collision-induced dissociation of diatomic ions

International Nuclear Information System (INIS)

Los, J.; Govers, T.R.

1978-01-01

An attempt is made to illustrate how mass spectrometric studies of dissociation in diatomic molecular ions can provide information on the dynamics of these collisions and on the predissociative states involved. Restriction is made to primary beam energies of the order of at least keV. The review covers the dynamics of dissociation, experimental techniques, direct dissociation in heavy-particle collisions, and translational spectroscopy. 120 references

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

Ion channels in glioblastoma.

Science.gov (United States)

Molenaar, Remco J

2011-01-01

Glioblastoma is the most common primary brain tumor with the most dismal prognosis. It is characterized by extensive invasion, migration, and angiogenesis. Median survival is only 15 months due to this behavior, rendering focal surgical resection ineffective and adequate radiotherapy impossible. At this moment, several ion channels have been implicated in glioblastoma proliferation, migration, and invasion. This paper summarizes studies on potassium, sodium, chloride, and calcium channels of glioblastoma. It provides an up-to-date overview of the literature that could ultimately lead to new therapeutic targets.

High spatial resolution and high brightness ion beam probe for in-situ elemental and isotopic analysis

Science.gov (United States)

Long, Tao; Clement, Stephen W. J.; Bao, Zemin; Wang, Peizhi; Tian, Di; Liu, Dunyi

2018-03-01

A high spatial resolution and high brightness ion beam from a cold cathode duoplasmatron source and primary ion optics are presented and applied to in-situ analysis of micro-scale geological material with complex structural and chemical features. The magnetic field in the source as well as the influence of relative permeability of magnetic materials on source performance was simulated using COMSOL to confirm the magnetic field strength of the source. Based on SIMION simulation, a high brightness and high spatial resolution negative ion optical system has been developed to achieve Critical (Gaussian) illumination mode. The ion source and primary column are installed on a new Time-of-Flight secondary ion mass spectrometer for analysis of geological samples. The diameter of the ion beam was measured by the knife-edge method and a scanning electron microscope (SEM). Results show that an O2- beam of ca. 5 μm diameter with a beam intensity of ∼5 nA and an O- beam of ca. 5 μm diameter with a beam intensity of ∼50 nA were obtained, respectively. This design will open new possibilities for in-situ elemental and isotopic analysis in geological studies.

Measurements of ion mobility in argon and neon based gas mixtures

CERN Document Server

INSPIRE-00507268

2017-01-01

As gaseous detectors are operated at high rates of primary ionisation, ions created in the detector have a considerable impact on the performance of the detector. The upgraded ALICE Time Projection Chamber (TPC) will operate during LHC Run$\\,3$ with a substantial space charge density of positive ions in the drift volume. In order to properly simulate such space charges, knowledge of the ion mobility $K$ is necessary. To this end, a small gaseous detector was constructed and the ion mobility of various gas mixtures was measured. To validate the corresponding signal analysis, simulations were performed. Results are shown for several argon and neon based mixtures with different $\\textrm{CO}_2$ fractions. A decrease of $K$ was measured for increasing water content.

Experiments with SIRA - the radioactive ion separator

International Nuclear Information System (INIS)

Angelique, J.C.; Orr, N.A.

1998-01-01

There are two main techniques to obtain radioactive ion beams. One, consisting in the fragmentation of projectile in a thin target followed by a separation carried out with LISE or SISSI type spectrometers or by an alpha spectrometer is used currently at GANIL. The second one, the ISOL (Isotope Separator One-Line) is presently under study on the SIRa benchmark, as part of the SPIRaL (Source de Production d'Ions Radioactifs en Ligne). A high energy light ion beam is stopped by a thick target to produce radioactive nuclei by various reactions in the target. The target, usually of carbon, is heated at around 1800 deg. C in order to accelerate the migration of the atoms produced at the target surface. These atoms are then diffused by a transfer tube up to plasma region where they are ionized and then accelerated. As projectiles the GANIL project makes use of a large variety of heavy ions. A table containing the radioactive ion beam characteristics (charge state and lifetime), the primary beams, the yields and the expected intensities to be obtained with SPIRaL is presented. Also, data concerning the production rates of rare gases obtained during 1993 to 1994 are given

ISOL science at the Holifield Radioactive Ion Beam Facility

Energy Technology Data Exchange (ETDEWEB)

Beene, James R [ORNL; Bardayan, Daniel W [ORNL; Galindo-Uribarri, Alfredo {nmn} [ORNL; Gross, Carl J [ORNL; Jones, K. L. [University of Tennessee, Knoxville (UTK); Liang, J Felix [ORNL; Nazarewicz, Witold [ORNL; Stracener, Daniel W [ORNL; Tatum, B Alan [ORNL; Varner Jr, Robert L [ORNL

2011-01-01

The Holi eld Radioactive Ion Beam Facility, located in Oak Ridge, Tennessee, is operated as a National User Facility for the U.S. Department of Energy, producing high quality ISOL beams of short-lived, radioactive nuclei for studies of exotic nuclei, astrophysics research, and various societal applications. The primary driver, the Oak Ridge Isochronous Cyclotron, produces rare isotopes by bombarding highly refractory targets with light ions. The radioactive isotopes are ionized, formed into a beam, mass selected, injected into the 25-MV Tandem, accelerated, and used in experiments. This article reviews HRIBF and its science.

Microdosimetry for a carbon ion beam using track-etched detectors

International Nuclear Information System (INIS)

Ambrozova, I.; Ploc, O.; Davidkova, M.; Vondracek, V.; Sefl, M.; Stepan, V.; Pachnerova Brabcova, K.; Incerti, S.

2015-01-01

Track-etched detectors (TED) have been used as linear energy transfer (LET) spectrometers in heavy ion beams for many years. LET spectra and depth -dose distribution of a carbon ion beam were measured behind polymethylmethacrylate degraders at Heavy Ion Medical Accelerator in Chiba, Japan. The measurements were performed along monoenergetic beam with energy 290 MeV u -1 in different positions: (1) at beam extraction area, (2) at beginning, (3) maximum and (4) behind the Bragg peak region (0, 117, 147 and 151 mm of water-equivalent depth, respectively). The LET spectra inside and outside of the primary ion beam have been evaluated. TED record only heavy charged particles with LET above 8 -10 keV μm -1 , while electrons and ions with lower LET are not detected. The Geant4 simulation toolkit version 4.9.6.P01 has been used to estimate the contribution of non-detected particles to absorbed dose. Presented results demonstrate the applicability of TED for microdosimetry measurements in therapeutic carbon ion beams. (authors)

Application of ion-exchange unit in uranium extraction process in China (to be continued)

International Nuclear Information System (INIS)

Gong Chuanwen

2004-01-01

The application conditions of five different ion exchange units in uranium milling plant and wastewater treatment plant of uranium mine in China are introduced, including working parameters, existing problems and improvements. The advantages and disadvantages of these units are reviewed briefly. The procedure points to be followed in selecting ion exchange unit are recommended in the engineering design. The primary views are presented upon the application prospects of some ion exchange units in uranium extraction process in China

Local in-depth analysis of ceramic materials by neutral beam secondary ion mass spectrometry

International Nuclear Information System (INIS)

Borchardt, G.; Scherrer, H.; Weber, S.; Scherrer, S.

1980-01-01

Local microanalysis of non-conducting surfaces by means of modern physical methods which use charged low-energy primary particles brings about severe problems because of the electrostatic charge accumulated on the sample surface. This is also true of secondary ion mass spectrometry (SIMS) where ions are usually used as primary particles. In the present work the basic features for production of neutral primary beams in commercial SIMS instruments by a simple technique are described. With suitably high sputtering rates, surface analyses and in-depth profiles can be made in reasonable measuring times. Results are given for chemical concentration distributions in the near-surface regions of an oxide glass and for the isotopic diffusion of Si-30 in a crystalline silicate with olivine structure (Co 2 SiO 4 ). (orig.)

Ion-solid interaction at low energies: principles and application of quantitative ISS

International Nuclear Information System (INIS)

Niehus, H.; Spitzl, R.

1991-01-01

Quantitative surface analysis with low-energy (500-5000 eV) ion scattering spectroscopy is known to be difficult, most often because of strong charge transfer and multiple scattering effects occurring during ion-surface interaction. In order to avoid neutralization problems, either alkali primary ions or noble gas ions in combination with the detection of all scattered particles was applied. Multiple scattering occurs predominantly at forward scattering and might confound the analysis. Backward scattering (i.e. 180 o impact collision ion scattering) bypasses strongly the multiple scattering complication and has been used successfully for the analysis of a number of surface structures for metals, semiconductors and binary alloys. A simple triangulation concept gives access to mass-selective qualitative surface crystallography. Quantitative surface structures were determined by comparison with computer simulations. (author)

Quality control of Al alloy by ICP-MS

International Nuclear Information System (INIS)

Zahran, N.F.; Amr, M.A.; Helal, A.I.; Waly, S.A.; Afifi, Y.K.

2000-01-01

Laser ablation sample introduction system in combination with an inductive coupled plasma mass spectrometer (ICP-MS) is used for the investigation of elemental distribution of Al alloy. The samples are ablated by an ultraviolet laser beam at 266 nm with an energy of 4mJ/shot at a repetition rate of 20 Hz. Samples are digested using HNO 3 in a microwave system and analyzed in a solution form by ICP-MS. The quantification of the analytical results is carried out using multielement solution. Quantitative data from the solution samples are used as a standard data for the laser ablation technique. The effect of Aluminum as a matrix is studied. High-resolution mass spectrometer is used to identify the Aluminum polyatomic ions in the ICP-ion source

Ion scattering spectroscopy studies of zirconium dioxide thin films prepared in situ

International Nuclear Information System (INIS)

Martin, P.J.; Netterfield, R.P.

1987-01-01

Low energy Ion Scattering Spectroscopy has been used to investigate, in situ, thin films of zirconium dioxide deposited by evaporation and ion-assisted deposition. It is shown that when a film is deposited to an average thickness of 0.3 nm +- 0.03, as measured by in situ ellipsometry, complete coverage of the substrate occurs. 'Ion-assisted films have detectably higher Zr surface concentrations and reduced low-energy sputter peaks. Inelastic tailing effects in the Zr scattering peak for 2 keV 4 He + are found to come from particles scattered from approximately the first 7 nm of the oxide surface. The influence of primary ion energy on the Zr/O ratio is also examined. (author)

Molecular physics. Theoretical principles and experimental methods

International Nuclear Information System (INIS)

Demtroeder, W.

2005-01-01

This advanced textbook comprehensively explains important principles of diatomic and polyatomic molecules and their spectra in two separate, distinct parts. The first part concentrates on the theoretical aspects of molecular physics, whereas the second part of the book covers experimental techniques, i.e. laser, Fourier, NMR, and ESR spectroscopies, used in the fields of physics, chemistry, biolog, and material science. Appropriate for undergraduate and graduate students in physics and chemistry with a knowledge of atomic physics and familiar with the basics of quantum mechanics. From the contents: - Electronic States of Molecules, - Rotation, Oscillation and Potential Curves of Diatomic Molecules, - The Spectra of Diatomic Molecules, - Molecule Symmetries and Group Theory, - Rotation and Oscillations of Polyatomic Molecules, - Electronic States of Polyatomic Molecules, - The Spectra of Polyatomic Molecules, - Collapse of the Born-Oppenheimer-Approximation, Disturbances in Molecular Spectra, - Molecules in Disturbing Fields, - Van-der-Waals-Molecules and Cluster, - Experimental Techniques in Molecular Physics. (orig.)

The primary processes by impact of ionizing radiations with water

International Nuclear Information System (INIS)

Znamirovschi, V.; Mastan, I.; Cozar, O.

1976-01-01

The problem concerning primary processes in radiolysis of water is discussed. The results on the excitation and ionization of water molecule, dissociation of the parent-molecular ion of water and dissociation of excited molecule of water are presented. (author)

Mutation induction by heavy ions

Science.gov (United States)

Kiefer, J.; Stoll, U.; Schneider, E.

1994-10-01

Mutation induction by heavy ions is compared in yeast and mammalian cells. Since mutants can only be recovered in survivors the influence of inactivation cross sections has to be taken into account. It is shown that both the size of the sensitive cellular site as well as track structure play an important role. Another parameter which influences the probability of mutation induction is repair: Contrary to naive assumptions primary radiation damage does not directly lead to mutations but requires modification to reconstitute the genetic machinery so that mutants can survive. The molecular structure of mutations was analyzed after exposure to deuterons by amplification with the aid of polymerase chain reaction. The results-although preliminary-demonstrate that even with densely ionizing particles a large fraction does not carry big deletions which suggests that point mutations may also be induced by heavy ions.

The 1+ → n+ transformation for the radioactive ion acceleration

International Nuclear Information System (INIS)

Chauvin, N.; Lamy, T.; Bruandet, J.F.; Bouly, J.L.; Curdy, J.C.; Geller, R.; Sole, P.; Sortais, P.; Vieux-Rochaz, J.L.

1999-01-01

The radioactive ions are produced as single-charge ions either starting from nuclear reactions induced by a high energy primary beam, or by neutron bombarding of a target. However, in order to obtain beams of several MeV per nucleon, il will be convenient of transforming the mono-charged ions issued from the production source, in multicharged ions. Consequently, an operation should be implemented to transform the 1+ charge state into n+ state, with a double requirement of maximal yield and minimal response time. The objectives are a particle yield of several percents and a response time below 1 second, taking into account the low lifetimes of certain radioactive nuclei. The conjoint achievement of both high charged states and maximal beam intensity forced us to make a choice for an ECR (Electron Cyclotron Resonance) type source to realize the transformation 1+ → n+

Calculation of ion storage in electron beams with account of ion-ion interactions

International Nuclear Information System (INIS)

Perel'shtejn, Eh.A.; Shirkov, G.D.

1979-01-01

Ion storage in relativistic electron beams was calculated taking account of ion-ion charge exchange and ionization. The calculations were made for nitrogen ion storage from residual gas during the compression of electron rings in the adhezator of the JINR heavy ion accelerator. The calculations were made for rings of various parameters and for various pressures of the residual gas. The results are compared with analogous calculations made without account of ion-ion processes. It is shown that at heavy loading of a ring by ions ion-ion collisions play a significant part, and they should be taken into account while calculating ion storage

Ultrarelativistic heavy ion collisions: the first billion seconds

Energy Technology Data Exchange (ETDEWEB)

Baym, Gordon

2016-12-15

I first review the early history of the ultrarelativistic heavy ion program, starting with the 1974 Bear Mountain Workshop, and the 1983 Aurora meeting of the U.S. Nuclear Science Committtee, just one billion seconds ago, which laid out the initial science goals of an ultrarelativistic collider. The primary goal, to discover the properties of nuclear matter at the highest energy densities, included finding new states of matter – the quark-gluon plasma primarily – and to use collisions to open a new window on related problems of matter in cosmology, neutron stars, supernovae, and elsewhere. To bring out how the study of heavy ions and hot, dense matter in QCD has been fulfilling these goals, I concentrate on a few topics, the phase diagram of matter in QCD, and connections of heavy ion physics to cold atoms, cosmology, and neutron stars.

InN{0001} polarity by ion scattering spectroscopy

International Nuclear Information System (INIS)

Walker, M.; Veal, T.D.; McConville, C.F.; Lu, Hai; Schaff, W.J.

2005-01-01

The polarity of a wurtzite InN thin film grown on a c-plane sapphire substrate with GaN and AlN buffer layers has been investigated by co-axial impact collision ion scattering spectroscopy (CAICISS). Time of flight (TOF) spectra of He + ions scattered from the surface of the InN film were taken as a function of the incident angles of the primary 3 keV He + ions. From the TOF spectra, the polar angle-dependence of the In scattered intensity was obtained. Comparison of the experimental polar-angle dependence of the In CAICISS signal intensity with simulated results for the various volume ratios of (0001)- and (000 anti 1)-polarity domains indicated that the InN film is approximately 75% In-polarity and 25% N-polarity. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Proton and carbon ion radiotherapy for primary brain tumors and tumors of the skull base

Energy Technology Data Exchange (ETDEWEB)

Combs, Stephanie E.; Kessel, Kerstin; Habermehl, Daniel; Debus, Jurgen [Univ. Hospital of Heidelberg, Dept. of Radiation Oncology, Heidelberg (Germany)], e-mail: Stephanie.Combs@med.uni-heidelberg.de; Haberer, Thomas [Heidelberger Ionenstrahl Therapiezentrum (HIT), Heidelberg (Germany); Jaekel, Oliver [Univ. Hospital of Heidelberg, Dept. of Radiation Oncology, Heidelberg (Germany); Heidelberger Ionenstrahl Therapiezentrum (HIT), Heidelberg (Germany)

2013-10-15

To analyze clinical concepts, toxicity and treatment outcome in patients with brain and skull base tumors treated with photons and particle therapy. Material and methods: In total 260 patients with brain tumors and tumors of the skull base were treated at the Heidelberg Ion Therapy Center (HIT). Patients enrolled in and randomized within prospective clinical trials as well as bony or soft tissue tumors are not included in this analysis. Treatment was delivered as protons, carbon ions, or combinations of photons and a carbon ion boost. All patients are included in a tight follow-up program. The median follow-up time is 12 months (range 2-39 months). Results: Main histologies included meningioma (n = 107) for skull base lesions, pituitary adenomas (n = 14), low-grade gliomas (n = 51) as well as high-grade gliomas (n = 55) for brain tumors. In all patients treatment could be completed without any unexpected severe toxicities. No side effects > CTC Grade III were observed. To date, no severe late toxicities were observed, however, for endpoints such as secondary malignancies or neuro cognitive side effects follow-up time still remains too short. Local recurrences were mainly seen in the group of high-grade gliomas or atypical meningiomas; for benign skull base meningiomas, to date, no recurrences were observed during follow-up. Conclusion: The specific benefit of particle therapy will potentially reduce the risk of secondary malignancies as well as improve neuro cognitive outcome and quality of life (QOL); thus, longer follow-up will be necessary to confirm these endpoints. Indication-specific trials on meningiomas and gliomas are underway to elucidate the role of protons and carbon ions in these indications.

Proton and carbon ion radiotherapy for primary brain tumors and tumors of the skull base

International Nuclear Information System (INIS)

Combs, Stephanie E.; Kessel, Kerstin; Habermehl, Daniel; Debus, Jurgen; Haberer, Thomas; Jaekel, Oliver

2013-01-01

To analyze clinical concepts, toxicity and treatment outcome in patients with brain and skull base tumors treated with photons and particle therapy. Material and methods: In total 260 patients with brain tumors and tumors of the skull base were treated at the Heidelberg Ion Therapy Center (HIT). Patients enrolled in and randomized within prospective clinical trials as well as bony or soft tissue tumors are not included in this analysis. Treatment was delivered as protons, carbon ions, or combinations of photons and a carbon ion boost. All patients are included in a tight follow-up program. The median follow-up time is 12 months (range 2-39 months). Results: Main histologies included meningioma (n = 107) for skull base lesions, pituitary adenomas (n = 14), low-grade gliomas (n = 51) as well as high-grade gliomas (n = 55) for brain tumors. In all patients treatment could be completed without any unexpected severe toxicities. No side effects > CTC Grade III were observed. To date, no severe late toxicities were observed, however, for endpoints such as secondary malignancies or neuro cognitive side effects follow-up time still remains too short. Local recurrences were mainly seen in the group of high-grade gliomas or atypical meningiomas; for benign skull base meningiomas, to date, no recurrences were observed during follow-up. Conclusion: The specific benefit of particle therapy will potentially reduce the risk of secondary malignancies as well as improve neuro cognitive outcome and quality of life (QOL); thus, longer follow-up will be necessary to confirm these endpoints. Indication-specific trials on meningiomas and gliomas are underway to elucidate the role of protons and carbon ions in these indications

Energy storage and redistribution in molecules

International Nuclear Information System (INIS)

Hinze, J.

1983-01-01

This book presents information on the following topics: chemistry and spectroscopy of molecules at high levels of excitation; energy and phase randomization in large molecules as probed by laser spectroscopy; intramolecular processes in isolated polyatomic molecules; pulse-probe measurements in low-temperature, low-pressure SF 6 ; the photodissociation dynamics of H 2 S and CF 3 NO; photofragment spectroscopy of the NO 2 dissociation; preparation, laser spectroscopy and predissociation of alkali dimers in supersonic nozzle beams; excited states of small molecules - collisional quenching and photodissociation; quantum-state-resolved scattering of lithium hydride; and molecular negative ions

Calculations on displacement damage and its related parameters for heavy ion bombardment in reactor materials

International Nuclear Information System (INIS)

Sone, Kazuho; Shiraishi, Kensuke

1975-04-01

The depth distribution of displacement damage expressed in displacements per atom (DPA) in reactor materials such as Mo, Nb, V, Fe and Ni bombarded by energetic nitrogen, argon and self ions with incident energy below 2 MeV was calculated following the theory developed by Lindhard and co-workers for the partition of energy as an energetic ion slowing down. In this calculation, energy loss due to electron excitation was taken into account for the atomic collision cascade after the primary knock-on process. Some parameters indispensable for the calculation such as energy loss rate, damage efficiency, projected range and its straggling were tabulated as a function of incident ion energy of 20 keV to 2 MeV. The damage and parameters were also calculated for 2 MeV nickel ions bombarding Fe targets. In this case, the DPA value is of 40--75% overestimated in a calculation disregarding electronic energy loss for primary knock-on atoms. The formula proposed in this report is significant for calculations on displacement damage produced by heavy ion bombardment as a simulation of high fluence fast neutron damage. (auth.)

Calculations on displacement damage and its related parameters for heavy ion bombardment in reactor materials

Energy Technology Data Exchange (ETDEWEB)

Sone, K; Shiraishi, K

1975-04-01

The depth distribution of displacement damage expressed in displacements per atom (DPA) in reactor materials such as Mo, Nb, V, Fe and Ni bombarded by energetic nitrogen, argon and self ions with incident energy below 2 MeV was calculated following the theory developed by Lindhard and co-workers for the partition of energy as an energetic ion slowing down. In this calculation, energy loss due to electron excitation was taken into account for the atomic collision cascade after the primary knock-on process. Some parameters indispensable for the calculation such as energy loss rate, damage efficiency, projected range and its straggling were tabulated as a function of incident ion energy of 20 keV to 2 MeV. The damage and parameters were also calculated for 2 MeV nickel ions bombarding Fe targets. In this case, the DPA value is of 40--75% overestimated in a calculation disregarding electronic energy loss for primary knock-on atoms. The formula proposed in this report is significant for calculations on displacement damage produced by heavy ion bombardment as a simulation of high fluence fast neutron damage.

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.

Primary and secondary kinetic isotope effects in the acid-catalyzed dehydration of 1,1'-diadamantylmethylcarbinol in aqueous acetic acid

International Nuclear Information System (INIS)

Lomas, J.S.

1981-01-01

The sulfuric acid catalyzed dehydration of 1,1'-diadamantyl-methylcarbinol in anhydrous acetic acid proceeds exclusively to 1,1'-bis(1-adamantyl)ethylene. The secondary deuterium isotope effect of 1.32 found for this reaction shows that carbonium ion formation from the protonated alcohol is rate determining. In the presence of water, however, capture of the carbonium ion competes with deprotonation, introducing a primary isotope effect. Consequently, the overall KIE rises, reaching 3.18 for 80% aqueous acetic acid. Analysis of the KIE for 80 to 100% aqueous acetic acid is consistent with a simple classical mechanism involving reversible formation of the intermediate carbonium ion. The primary isotope effect upon deprotonation is at the most 2.98, indicative of an asymmetric transition state close to the carbonium ion

Mechanism of Metal Ion Activation of the Diphtheria Toxin Repressor DtxR

Energy Technology Data Exchange (ETDEWEB)

D' Aquino,J.; Tetenbaum-Novatt, J.; White, A.; Berkovitch, F.; Ringe, D.

2005-01-01

The diphtheria toxin repressor (DtxR) is a metal ion-activated transcriptional regulator that has been linked to the virulence of Corynebacterium diphtheriae. Structure determination has shown that there are two metal ion binding sites per repressor monomer, and site-directed mutagenesis has demonstrated that binding site 2 (primary) is essential for recognition of the target DNA repressor, leaving the role of binding site 1 (ancillary) unclear. Calorimetric techniques have demonstrated that although binding site 1 (ancillary) has high affinity for metal ion with a binding constant of 2 x 10{sup -7}, binding site 2 (primary) is a low-affinity binding site with a binding constant of 6.3 x 10{sup -4}. These two binding sites act in an independent fashion, and their contribution can be easily dissected by traditional mutational analysis. Our results clearly demonstrate that binding site 1 (ancillary) is the first one to be occupied during metal ion activation, playing a critical role in stabilization of the repressor. In addition, structural data obtained for the mutants Ni-DtxR(H79A, C102D), reported here, and the previously reported DtxR(H79A) have allowed us to propose a mechanism of metal activation for DtxR.

Auger processes in tracks of fast multicharged ions

International Nuclear Information System (INIS)

Katin, V.V.; Martynenko, Yu.V.; Yavlinskij, Yu.N.

1992-01-01

The fast multicharged ion spends about 40% of energy losses on vacancy creation in the inner electron shells. This energy is transferred to the kinetic energy of electrons due to the cascade of Auger processes during ∼ 10 -14 s whereas the primary excited electrons receive the energy in ∼10 -16 s. (author)

Lithium Carbon Monofluoride: The Next Primary Chemistry for Soldier Portable Power Sources

National Research Council Canada - National Science Library

Suszko, Arek

2006-01-01

.... Current lithium-ion rechargeable battery technologies have a specific energy of 170 Watthours/ kilogram and state-of-the-art primary lithium-based systems have a specific energy approaching 200 Watt-hours/kilogram...

The ion circus: A novel circular Paul trap to resolve isobaric contamination

Energy Technology Data Exchange (ETDEWEB)

Ramirez, E. Minaya [CSNSM-IN2P3/CNRS, Bat. 108, Universite de Paris Sud, 91405 Orsay (France)], E-mail: minaya@csnsm.in2p3.fr; Cabaret, S.; Lunney, D. [CSNSM-IN2P3/CNRS, Bat. 108, Universite de Paris Sud, 91405 Orsay (France)

2008-10-15

The ion circus is a miniature storage ring formed by a segmented radiofrequency mass filter bent into a circle. The primary goal of this unique device is to perform high-resolution mass separation with small transmission loss since the resolving power is increased while the orbiting ions cool in the ring. Contrary to its linear brother, this circular Paul trap is designed to cool and mass separate the ions over a much longer flight path, thus requiring lower buffer gas pressure. Ions can be accumulated in the ring and extracted either in tangential or perpendicular directions. This way, the trap also serves as a versatile beam distribution device. Design principles are presented and the prototype instrument, under test in Orsay, is described.

Evaluation of Risk Factors for Vertebral Compression Fracture after Carbon-Ion Radiotherapy for Primary Spinal and Paraspinal Sarcoma

Directory of Open Access Journals (Sweden)

Yoshihiro Matsumoto

2017-01-01

Full Text Available Background and Purpose. Carbon-ion radiotherapy (C-ion RT was effective therapy for inoperable spinal and paraspinal sarcomas. However, a significant adverse event following radiotherapies is vertebral compression fractures (VCFs. In this study, we investigated the incidence of and risk factors for post-C-ion RT VCFs in patients with spinal or paraspinal sarcomas. Material and Methods. Thirty consecutive patients with spinal or paraspinal sarcomas treated with C-ion RT were retrospectively reviewed. Various clinical parameters and the Spinal Instability Neoplastic Score (SINS were used to evaluate the risk factors for post-C-ion RT VCFs. Results. The overall incidence of VCFs was 23% (median time: 7 months. Patients with VCFs showed a markedly higher SINS score (median value, 9 points than those without VCF (5 points. The area under the receiver operating characteristic curve for the SINS score was 0.88, and the optimum SINS cut-off score was 8 points. The cumulative incidence of VCFs at 1 year was 9% for patients with a SINS score under 8 points, versus 80% for those with a SINS score of 8 points or higher (p<0.0001. Conclusions. In patients with a SINS score of 8 points or higher, referral to a spine surgeon for stabilization and multidisciplinary discussion is appropriate.

Heavy ion driven LMF design concept

International Nuclear Information System (INIS)

Lee, E.P.

1991-08-01

The USA Department of Energy has conducted a multi-year study of the requirements, designs and costs for a Laboratory Microfusion Facility (LMF). The primary purpose of the LMF would be testing of weapons physics and effects simulation using the output from microexplosions of inertial fusion pellets. It does not need a high repetition rate, efficient driver system as required by an electrical generating plant. However there would be so many features in common that the design, construction and operation of an LMF would considerably advance the application of inertial confinement fusion to energy production. The DOE study has concentrated particularly on the LMF driver, with design and component development undertaken at several national laboratories. Principally, these are LLNL (Solid State Laser), LANL (Gas Laser), and SNLA (Light Ions). Heavy Ions, although considered a possible LMF driver did not receive attention until the final stages of this study since its program management was through the Office of Energy Research rather than Defense Programs. During preparation of a summary report for the study it was decided that some account of heavy ions was needed for a complete survey of the driver candidates. A conceptual heavy ion LMF driver design was created for the DOE report which is titled LMC Phase II Design Concepts. The heavy ion driver did not receive the level of scrutiny of the other concepts and, unlike the others, no costs analysis by an independent contractor was performed. Since much of heavy ion driver design lore was brought together in this exercise it is worthwhile to make it available as an independent report. This is reproduced here as it appears in the DOE report

Cytotoxicity and ion release of alloy nanoparticles

International Nuclear Information System (INIS)

Hahn, Anne; Fuhlrott, Jutta; Loos, Anneke; Barcikowski, Stephan

2012-01-01

It is well-known that nanoparticles could cause toxic effects in cells. Alloy nanoparticles with yet unknown health risk may be released from cardiovascular implants made of Nickel–Titanium or Cobalt–Chromium due to abrasion or production failure. We show the bio-response of human primary endothelial and smooth muscle cells exposed to different concentrations of metal and alloy nanoparticles. Nanoparticles having primary particle sizes in the range of 5–250 nm were generated using laser ablation in three different solutions avoiding artificial chemical additives, and giving access to formulations containing nanoparticles only stabilized by biological ligands. Endothelial cells are found to be more sensitive to nanoparticle exposure than smooth muscle cells. Cobalt and Nickel nanoparticles caused the highest cytotoxicity. In contrast, Titanium, Nickel–Iron, and Nickel–Titanium nanoparticles had almost no influence on cells below a nanoparticle concentration of 10 μM. Nanoparticles in cysteine dissolved almost completely, whereas less ions are released when nanoparticles were stabilized in water or citrate solution. Nanoparticles stabilized by cysteine caused less inhibitory effects on cells suggesting cysteine to form metal complexes with bioactive ions in media.

Charge state distributions from highly charged ions channeled at a metal surface

International Nuclear Information System (INIS)

Folkerts, L.; Meyer, F.W.; Schippers, S.

1994-01-01

The vast majority of the experimental work in the field of multicharged ion-surface interactions, to date, has focused on x-ray and particularly on electron emission. These experiments include measurements of the total electron yield, the emission statistics of the electrons, and, most of all, the electron energy distributions. So far, little attention has been paid to the fate of the multicharged projectile ions after the scattering. To our knowledge, the only measurement of the charge state distribution of the scattered ions is the pioneering experiment of de Zwart et al., who measured the total yield of scattered 1+, 2+, and 3+ ions as a function of the primary charge state q (q = 1--11) for 20 key Ne, Ar, and Kr ions after reflection from a polycrystalline tungsten target. Their main finding is the sudden onset of scattered 3+ ions when inner-shell vacancies are present in the primary particles. This suggests that a certain fraction of the inner-shell vacancies survives the entire collision event, and decays via autoionization on the outgoing path. Since the projectiles scattered in the neutral charge state could not be detected in the experiment of de Zwart et al., they were not able to provide absolute charge state fractions. In our present experiment, we focus on the scattered projectiles, measuring both the final charge state and the total scattering angle with a single 2D position sensitive detector (PSD). This method gives us the number of positive, as well as neutral and negative, scattered ions, thus allowing us to extract absolute charge state fractions. Using a well-prepared single Au(110) crystal and a grazing incidence geometry, we were able to observe surface channeling along the [001] channels

Atmosphere influence on in situ ion beam analysis of thin film growth

International Nuclear Information System (INIS)

Lin, Yuping; Krauss, A.R.; Gruen, D.M.; Chang, R.P.H.; Auciello, O.H.; Schultz, J.A.

1994-01-01

In situ, nondestructive surface characterization of thin-film growth processes in an environment of chemically active gas at pressures of several mTorr is required both for the understanding of growth processes in multicomponent films and layered heterostructures and for the improvement of process reproducibility and device reliability. The authors have developed a differentially pumped pulsed ion beam surface analysis system that includes ion scattering spectroscopy (ISS) and direct recoil spectroscopy (DRS), coupled to an automated ion beam sputter-deposition system (IBSD), to study film growth processes in an environment of chemically active gas, such as required for the growth of oxide, nitride, or diamond thin films. The influence of gas-phase scattering and gas-surface interactions on the ISS and DRS signal intensity and peak shape have been studied. From the intensity variation as a function of ambient gas pressure, the authors have calculated the mean free path and the scattering cross-section for a given combination of primary ion species and ambient gas. Depending on the system geometry and the combination of primary beam and background, it is shown that surface-specific data can be obtained during thin-film growth at pressures ranging from a few mtorr to approximately 1 Torr. Detailed information such as surface composition, structure, and film growth mechanism may be obtained in real-time, making ion beam analysis an ideal nondestructive, in situ probe of thin-film growth processes

Proceedings of the 5. Symposium on ion exchange held at the Lake Balaton, Hungary, 28-31 May 1986

International Nuclear Information System (INIS)

Hajos, P.; Marton, A.

1986-01-01

Major trends of ion exchange researches and applications were discussed at the 5th international conference on ion echange held at Lake Balaton, Balatonfuered, Hungary. The 5 plenary lectures and the 98 papers delivered in 4 sessions dealt with theoretical aspects of ion exchange, different types of ion exchange materials including organic and inorganic ones, analytical applications of ion exchange processes, e.g. ion chromatography, HPLC and special technological procedures. Several examples were presented for ion exchange separations of nuclear interest such as the decontamination of radioactive wastes, the radiochemical analysis of the primary coolant, uranium recovery, the application of selective inorganic sorbents. (V.N.)

Heavy-ion collimation at the Large Hadron Collider. Simulations and measurements

Energy Technology Data Exchange (ETDEWEB)

Hermes, Pascal Dominik

2016-12-19

The CERN Large Hadron Collider (LHC) stores and collides proton and {sup 208}Pb{sup 82+} beams of unprecedented energy and intensity. Thousands of superconducting magnets, operated at 1.9 K, guide the very intense and energetic particle beams, which have a large potential for destruction. This implies the demand for a multi-stage collimation system to provide protection from beam-induced quenches or even hardware damage. In heavy-ion operation, ion fragments with significant rigidity offsets can still scatter out of the collimation system. When they irradiate the superconducting LHC magnets, the latter risk to quench (lose their superconducting property). These secondary collimation losses can potentially impose a limitation for the stored heavy-ion beam energy. Therefore, their distribution in the LHC needs to be understood by sophisticated simulations. Such simulation tools must accurately simulate the particle motion of many different nuclides in the magnetic LHC lattice and simulate their interaction with the collimators. Previous simulation tools used simplified models for the simulation of particle-matter interaction and showed discrepancies compared to the measured loss patterns. This thesis describes the development and application of improved heavy-ion collimation simulation tools. Two different approaches are presented to provide these functionalities. In the first presented tool, called STIER, fragmentation at the primary collimator is simulated with the Monte-Carlo event generator FLUKA. The ion fragments scattered out of the primary collimator are subsequently tracked as protons with ion-equivalent rigidities in the existing proton tracking tool SixTrack. This approach was used to prepare the collimator settings for the 2015 LHC heavy-ion run and its predictions allowed reducing undesired losses. More accurate simulation results are obtained with the second presented simulation tool, in which SixTrack is extended to track arbitrary heavy ions. This new

Heavy-ion collimation at the Large Hadron Collider. Simulations and measurements

International Nuclear Information System (INIS)

Hermes, Pascal Dominik

2016-01-01

The CERN Large Hadron Collider (LHC) stores and collides proton and 208 Pb 82+ beams of unprecedented energy and intensity. Thousands of superconducting magnets, operated at 1.9 K, guide the very intense and energetic particle beams, which have a large potential for destruction. This implies the demand for a multi-stage collimation system to provide protection from beam-induced quenches or even hardware damage. In heavy-ion operation, ion fragments with significant rigidity offsets can still scatter out of the collimation system. When they irradiate the superconducting LHC magnets, the latter risk to quench (lose their superconducting property). These secondary collimation losses can potentially impose a limitation for the stored heavy-ion beam energy. Therefore, their distribution in the LHC needs to be understood by sophisticated simulations. Such simulation tools must accurately simulate the particle motion of many different nuclides in the magnetic LHC lattice and simulate their interaction with the collimators. Previous simulation tools used simplified models for the simulation of particle-matter interaction and showed discrepancies compared to the measured loss patterns. This thesis describes the development and application of improved heavy-ion collimation simulation tools. Two different approaches are presented to provide these functionalities. In the first presented tool, called STIER, fragmentation at the primary collimator is simulated with the Monte-Carlo event generator FLUKA. The ion fragments scattered out of the primary collimator are subsequently tracked as protons with ion-equivalent rigidities in the existing proton tracking tool SixTrack. This approach was used to prepare the collimator settings for the 2015 LHC heavy-ion run and its predictions allowed reducing undesired losses. More accurate simulation results are obtained with the second presented simulation tool, in which SixTrack is extended to track arbitrary heavy ions. This new tracking

Measurement of ion profiles in TFTR neutral beamlines

International Nuclear Information System (INIS)

Kamperschroer, J.H.; Grisham, L.R.; Kugel, H.W.; O'Connor, T.E.; Stevenson, T.N.; von Halle, A.; Williams, M.D.

1992-02-01

A technique is described whereby the ion dumps inside the TFTR Neutral Beam Test Stand were used to measure thermal profiles of the full-, half-, and third-energy ions. 136 thermocouples were installed on the full-energy ion dump, allowing full beam contours. Additional linear arrays across the widths of the half- and third-energy ion dumps provided a measure of the shape, in the direction parallel to the grid rails, of the half- and third-energy ions, and, hence, of the molecular ions extracted from the source. As a result of these measurements it was found that the magnet was more weakly focusing, by a factor of two, than expected, explaining past overheating of the full-energy ion dump. Hollow profiles on the half- and third-energy ion dumps were observed, suggesting that extraction of D 2 + and D 3 + are primarily from the edge of the ion source. If extraction of half-energy ions is from the edge of the accelerator, a divergence parallel to the grid rails of 0.6 degrees ±0.1 degrees results. It is postulated that a nonuniform gas profile near the accelerator is the cause of the hollow partial-energy ion profiles; the pressure being depressed over the accelerator by particles passing through this highly transparent structure. Primary electrons reaching the accelerator produce nonuniform densities of D 2 + through the ionization of this across the full-energy dump was examined as a means of reducing the power density. By unbalancing the current in the two coils of the magnet, on a shot by shot basis, by up to 2:1 ratio, it was possible to move the centerline of the full-energy ion beam sideways by ∼12.5 cm. The adoption of such a technique, with a ramp of the coil imbalance from 2:1 to 1:2 over a beam pulse, could reduce the power density by a factor of ≥1.5

A New 500-kV Ion Source Test Stand for HIF

International Nuclear Information System (INIS)

Sangster, T.C.; Ahle, L.E.; Halaxa, E.F.; Karpenko, V.P.; Oldaker, M. E.; Mitchell, J.W.; Beck, D.N.; Bieniosek, F.M.; Henestroza, E.; Kwan, J.W.

2000-01-01

One of the most challenging aspects of ion beam driven inertial fusion energy is the reliable and efficient generation of low emittance, high current ion beams. The primary ion source requirements include a rise time of order 1-msec, a pulse width of at least 20-msec, a flattop ripple of less than 0.1% and a repetition rate of at least 5-Hz. Naturally, at such a repetition rate, the duty cycle of the source must be greater than 108 pulses. Although these specifications do not appear to exceed the state-of-the-art for pulsed power, considerable effort remains to develop a suitable high current ion source. Therefore, we are constructing a 500-kV test stand specifically for studying various ion source concepts including surface, plasma and metal vapor arc. This paper will describe the test stand design specifications as well as the details of the various subsystems and components

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

Ion transport is the fundamental factor determining salinity tolerance in plants. The Review starts from differences in ion transport between salt tolerant halophytes and salt-sensitive plants with an emphasis on transport of potassium and sodium via plasma membranes. The comparison provides introductory information for increasing salinity tolerance. Effects of salt stress on ion transport properties of membranes show huge opportunities for manipulating ion fluxes. Further steps require knowledge about mechanisms of ion transport and individual genes of ion transport proteins. Initially, the Review describes methods to measure ion fluxes, the independent set of techniques ensures robust and reliable basement for quantitative approach. The Review briefly summarizes current data concerning Na(+) and K(+) concentrations in cells, refers to primary thermodynamics of ion transport and gives special attention to individual ion channels and transporters. Simplified scheme of a plant cell with known transport systems at the plasma membrane and tonoplast helps to imagine the complexity of ion transport and allows choosing specific transporters for modulating ion transport. The complexity is enhanced by the influence of cell size and cell wall on ion transport. Special attention is given to ion transporters and to potassium and sodium transport by HKT, HAK, NHX, and SOS1 proteins. Comparison between non-selective cation channels and ion transporters reveals potential importance of ion transporters and the balance between the two pathways of ion transport. Further on the Review describes in detail several successful attempts to overexpress or knockout ion transporters for changing salinity tolerance. Future perspectives are questioned with more attention given to promising candidate ion channels and transporters for altered expression. Potential direction of increasing salinity tolerance by modifying ion channels and transporters using single point mutations is discussed and

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

Full Text Available Ion transport is the fundamental factor determining salinity tolerance in plants. The Review starts from differences in ion transport between salt tolerant halophytes and salt-sensitive plants with an emphasis on transport of potassium and sodium via plasma membranes. The comparison provides introductory information for increasing salinity tolerance. Effects of salt stress on ion transport properties of membranes show huge opportunities for manipulating ion fluxes. Further steps require knowledge about mechanisms of ion transport and individual genes of ion transport proteins. Initially, the Review describes methods to measure ion fluxes, the independent set of techniques ensures robust and reliable basement for quantitative approach. The Review briefly summarises current data concerning Na+ and K+ concentrations in cells, refers to primary thermodynamics of ion transport and gives special attention to individual ion channels and transporters. Simplified scheme of a plant cell with known transport systems at the plasma membrane and tonoplast helps to imagine the complexity of ion transport and allows to choose specific transporters for modulating ion transport. The complexity is enhanced by the influence of cell size and cell wall on ion transport. Special attention is given to ion transporters and to potassium and sodium transport by HKT, HAK, NHX and SOS1 proteins. Comparison between nonselective cation channels and ion transporters reveals potential importance of ion transporters and the balance between the two pathways of ion transport. Further on the Review describes in detail several successful attempts to overexpress or knockout ion transporters for changing salinity tolerance. Future perspectives are questioned with more attention given to promising candidate ion channels and transporters for altered expression. Potential direction of increasing salinity tolerance by modifying ion channels and transporters using single point mutations is

Detection of high mass cluster ions sputtered from Bi surfaces

Energy Technology Data Exchange (ETDEWEB)

Shepard, A; Hewitt, R W; Slusser, G J; Baitinger, W E; Cooks, R G; Winograd, N [Purdue Univ., Lafayette, Ind. (USA). Dept. of Chemistry; Delgass, W N [Purdue Univ., Lafayette, Ind. (USA); Varon, A; Devant, G [Societe RIBER, 92 - Rueil-Malmaison (France)

1976-12-01

The technique of secondary ion mass spectrometry (SIMS) has been employed to detect Bi/sup 3 +/ ions and associated oxides Bi/sub 3/Osub(x)sup(+)(x=1 to 4) from a Bi foil. Using a 3 keV Ar/sup +/ ion primary beam of 5x10/sup -7/ A/cm/sup 2/, mass resolution to nearly 700 with the requisite sensitivity has been achieved. The Bi surface was also monitored by X-ray photoelectron spectroscopy (XPS or ESCA). The presence of a weak O 1s peak at 532.7 eV and a strong SIMS Bi/sup 3 +/ peak is interpreted to mean that the oxygen is weakly incorporated into the Bi lattice without disrupting metal-metal bonds.

Majority ion heating near the ion-ion hybrid layer in tokamaks

International Nuclear Information System (INIS)

Phillips, C.K.; Hosea, J.C.; Ignat, D.; Majeski, R.; Rogers, J.H.; Schilling, G.; Wilson, J.R.

1995-08-01

Efficient direct majority ion heating in a deuterium-tritium (D-T) reactor-grade plasma via absorption of fast magnetosonic waves in the ion cyclotron range of frequencies (ICRF) is discussed. Majority ion heating results from resonance overlap between the cyclotron layers and the D-T ion-ion hybrid layer in hot, dense plasmas for fast waves launched with high parallel wavenumbers. Analytic and numerical models are used to explore the regime in ITER plasmas

Advanced design of positive-ion sources for neutral-beam applications

International Nuclear Information System (INIS)

Marguerat, E.F.; Haselton, H.H.; Menon, M.M.; Schechter, D.E.; Stirling, W.L.; Tsai, C.C.

1982-01-01

The APIS ion source is being developed to meet a goal of producing ion beams of less than or equal to 200 keV, 100 A, with 10-30-s pulse lengths. In a continuing effort to advance the state of the art and to produce long pulse ion beams, APIS ion sources with grid dimensions of 10 x 25 cm, 13 x 43 cm, and 16 x 48 cm are being developed. In the past year, the 10- x 25-cm ion source has been operated to produce ion beams in excess of 100 keV for many seconds pulse length. An advanced design concept is being pursued with the primary objectives to improve radiation protection, reduce fabrication costs, and simplify maintenance. The source magnetic sheild will be designed as a vacuum enclosure to house all source components. The electrical insulation requirements of energy recovery are also considered. Because of the frequent maintenance requirements, the electron emitter assembly will be designed with a remote handling capability. A new accelerator design which incorporates the necessary neutron shielding and associated steering gimbal system is also described

Activation of accelerator construction materials by heavy ions

Energy Technology Data Exchange (ETDEWEB)

Katrík, P., E-mail: p.katrik@gsi.de [GSI Darmstadt, Planckstrasse 1, D-64291 (Germany); Mustafin, E. [GSI Darmstadt, Planckstrasse 1, D-64291 (Germany); Hoffmann, D.H.H. [TU Darmstadt, Schlossgartenstraße 9, D-64289 (Germany); Pavlovič, M. [FEI STU Bratislava, Ilkovičova 3, SK-81219 (Slovakia); Strašík, I. [GSI Darmstadt, Planckstrasse 1, D-64291 (Germany)

2015-12-15

Activation data for an aluminum target irradiated by 200 MeV/u {sup 238}U ion beam are presented in the paper. The target was irradiated in the stacked-foil geometry and analyzed using gamma-ray spectroscopy. The purpose of the experiment was to study the role of primary particles, projectile fragments, and target fragments in the activation process using the depth profiling of residual activity. The study brought information on which particles contribute dominantly to the target activation. The experimental data were compared with the Monte Carlo simulations by the FLUKA 2011.2c.0 code. This study is a part of a research program devoted to activation of accelerator construction materials by high-energy (⩾200 MeV/u) heavy ions at GSI Darmstadt. The experimental data are needed to validate the computer codes used for simulation of interaction of swift heavy ions with matter.

Experimental study of the organic ion intensity distribution in the ion imaging of coated polymer fibres with S-SIMS

International Nuclear Information System (INIS)

Vercammen, Yannick; Moons, Nicola; Van Nuffel, Sebastiaan; Beenaerts, Linda; Van Vaeck, Luc

2013-01-01

Time-of-Flight Static Secondary Ion Mass Spectrometry excels in probing the molecular composition of the outer monolayer of flat samples with a lateral resolution in the sub-μm range. However, the method faces significant methodological problems in the case of non-conducting samples with high topography or surface curvature, such as fibres, yarns or fabrics. Specifically, the useful secondary ion yield in a given spot on the fibre depends on the local incidence angle, the height above the earthed sample holder, the position relative to the axis of the mass analyser and the extent of the local surface charging. This study has focused on the empiric reduction of the useful ion yield variations observed in the ion images of fibres with diameter of 25 and 100 μm. Up to now, most literature data consider the analysis of fibres positioned along or perpendicular to the projection of the projectile beam in the plane of the sample surface because these specific geometries facilitate the interpretation of the ion images. However, it has been discovered that the diagonal orientation of the fibre in the field-of-view largely reduces the ion yield variations for fibres with a small diameter (25 μm). The situation is different for fibres with a diameter of 100 μm. In that case, the ion images contain no secondary ion counts for the pixels referring to a significant part of the fibre. In particular, the resulting lack of delineation between the shadow zone in the front of the fibre and the boundary of the fibre hampers the practical use of the ion images A fourfold decrease of the extraction voltage or a 20% increase of the distance between sample holder and extraction electrode is found to improve the detection of secondary ions from the part of the fibre facing towards the impinging primary ion beam. These observations have been tentatively related to the mass analyser acceptance and its dependence on the delicate balance between conflicting effects such as field strength

Functional characterization of the vertebrate primary ureter: Structure and ion transport mechanisms of the pronephric duct in axolotl larvae (Amphibia

Directory of Open Access Journals (Sweden)

Prehn Lea R

2010-05-01

Full Text Available Abstract Background Three kidney systems appear during vertebrate development: the pronephroi, mesonephroi and metanephroi. The pronephric duct is the first or primary ureter of these kidney systems. Its role as a key player in the induction of nephrogenic mesenchyme is well established. Here we investigate whether the duct is involved in urine modification using larvae of the freshwater amphibian Ambystoma mexicanum (axolotl as model. Results We investigated structural as well as physiological properties of the pronephric duct. The key elements of our methodology were: using histology, light and transmission electron microscopy as well as confocal laser scanning microscopy on fixed tissue and applying the microperfusion technique on isolated pronephric ducts in combination with single cell microelectrode impalements. Our data show that the fully differentiated pronephric duct is composed of a single layered epithelium consisting of one cell type comparable to the principal cell of the renal collecting duct system. The cells are characterized by a prominent basolateral labyrinth and a relatively smooth apical surface with one central cilium. Cellular impalements demonstrate the presence of apical Na+ and K+ conductances, as well as a large K+ conductance in the basolateral cell membrane. Immunolabeling experiments indicate heavy expression of Na+/K+-ATPase in the basolateral labyrinth. Conclusions We propose that the pronephric duct is important for the subsequent modification of urine produced by the pronephros. Our results indicate that it reabsorbs sodium and secretes potassium via channels present in the apical cell membrane with the driving force for ion movement provided by the Na+/K+ pump. This is to our knowledge the first characterization of the pronephric duct, the precursor of the collecting duct system, which provides a model of cell structure and basic mechanisms for ion transport. Such information may be important in understanding

First results from the Los Alamos plasma source ion implantation experiment

International Nuclear Information System (INIS)

Rej, D.J.; Faehl, R.J.; Gribble, R.J.; Henins, I.; Kodali, P.; Nastasi, M.; Reass, W.A.; Tesmer, J.; Walter, K.C.; Wood, B.P.; Conrad, J.R.; Horswill, N.; Shamim, M.; Sridharan, K.

1993-01-01

A new facility is operational at Los Alamos to examine plasma source ion implantation on a large scale. Large workpieces can be treated in a 1.5-m-diameter, 4.6-m-long plasma vacuum chamber. Primary emphasis is directed towards improving tribological properties of metal surfaces. First experiments have been performed at 40 kV with nitrogen plasmas. Both coupons and manufactured components, with surface areas up to 4 m 2 , have been processed. Composition and surface hardness of implanted materials are evaluated. Implant conformality and dose uniformity into practical geometries are estimated with multidimensional particle-in-cell computations of plasma electron and ion dynamics, and Monte Carlo simulations of ion transport in solids

Multiple output power supply circuit for an ion engine with shared upper inverter

Science.gov (United States)

Cardwell, Jr., Gilbert I. (Inventor); Phelps, Thomas K. (Inventor)

2001-01-01

A power supply circuit for an ion engine suitable for a spacecraft is coupled to a bus having a bus input and a bus return. The power supply circuit has a first primary winding of a first transformer. An upper inverter circuit is coupled to the bus input and the first primary winding. The power supply circuit further includes a first lower inverter circuit coupled to the bus return and the first primary winding. The second primary winding of a second transformer is coupled to the upper inverter circuit. A second lower inverter circuit is coupled to the bus return and the second primary winding.

Formation of doubly charged argon ions, Ar2+, from long-lived highly excited argon ions, Arsup(+*), colliding with Ar and N2 gases

International Nuclear Information System (INIS)

Okuno, Kazuhiko

1976-01-01

Formation of Ar 2+ from long-lived highly excited Ar + * colliding with Ar and N 2 gases is studied by means of a tandem mass spectrometer. The tandem mass spectrometer used consists of two mass analyzers connected in series and a collision chamber located in between. The collision chamber is electrically floated and can be set at a desired potential, so that one can identify the fast ions (resulting from the primary ions) and the slow ions (secondary ions) in the mass spectra taken by the second mass analyzer. When the first mass analyzer is tuned to Ar + , peaks corresponding Ar 2+ appear in the second mass spectra. From the analysis of variation of mass positions and heights of these peaks with the change of the potential and pressure of the collision chamber, the Ar 2+ is concluded to result from the primary Ar + in collision with gas molecules and wall surface. From the threshold behavior of the product Ar 2+ with the electron energy in the ion source, three sets of long-lived highly excited Ar + * states (Rydberg states) are found to be responsible for this process. They are 3s 2 3p 4 ( 3 P)nl, 3s 2 3p 4 ( 1 D 2 )n'l and 3s 2 3p 4 ( 1 S 0 )n''l converging to Ar 2+3 Psub(2.1.0) (43.38, 43.51, 43.57 eV), 1 D 2 (45.11 eV) and 1 S 0 (47.50 eV), respectively. Their fractional ratio in the primary Ar + beam is determined as 3.0:1.0:1.2 which is close to that of multiplicities of the states concerned. The autoionization mechanism reported by other investigators to be responsible for the formation of Ar 2+ in Aston band or tandem mass spectra is found to be negligible. The cross sections of formation of Ar 2+ from Ar + * colliding with Ar and N 2 increase in proportion to the 1.15th power of the collision energy in the range from 750 eV to 2.5 keV. At the collision energy of 1.0 keV, they are 2.0x10 -20 /F cm 2 for Ar target and 6.6x10 -20 /F cm 2 for N 2 target, where the fractional density of Ar + * is estimated to be 0.7x10 -4 -4 . (auth.)

Electrical, structural, and bonding changes induced in silicon by H, Ar, and Kr ion-beam etching

International Nuclear Information System (INIS)

Singh, R.; Fonash, S.J.; Ashok, S.; Caplan, P.; Shappirio, J.; Hage-Ali, M.; Ponpon, J.

1983-01-01

A study to elucidate the role of processing-induced changes in Si, subjected to ion-beam etching has been made. It is shown that these changes can be related to the primary ion beam used in ion-beam etching. Using ESR, trivalently bonded Si has been shown to be present. Fe and Cr have been found to be the main contaminants. An annealing study revealed that the damage can be annealed out at relatively high temperatures

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

Free-ion yield for tetramethylsilane and tetramethylgermanium

International Nuclear Information System (INIS)

Hoshi, Y.; Higuchi, M.; Iso, H.; Sakamoto, M.; Ooyama, K.; Kikuchi, R.; Miyano, K.

1993-01-01

In high energy physics experiments, calorimeters are used to measure the total energy dissipated by the primary particles produced from high energy collisions. In one type of calorimeter, ionization chambers filled with liquid argon are used. The necessity of a cryostat in many cases prevents a compact chamber design. Hence, it is very desirable to have liquid ionization chambers operating at room temperature. From this view point, hydrocarbon liquids are intensively investigated as calorimeter media in high energy physics experiments. TMS and TMG are promising liquid materials because they have the properties of a large electron drift velocity and a large free-ion yield. The free-ion yield determines the sensitivity of the chamber and amplifier system to ionizing particles. Here, free-ion yields from 207 Bi conversion electrons were measured as a function of applied electric field in an ionization chamber filled with tetramethylsilane (TMS) or tetramethylgermanium (TMG), which were purified by simple methods. Also, the mean thermalization length of electrons liberated in the liquid was calculated by fitting a Gaussian form for the distribution function. The total free-ion yield and thermalization length in TMS and TMG were obtained to be 3.1 ± 0.3, 3.5 ± 0.2 and 191 ± 12 angstrom, respectively, including the impurity effect in liquid

Recoil ion spectroscopy with heavy ions

International Nuclear Information System (INIS)

Beyer, H.F.; Mann, R.

1984-01-01

This chapter examines the production of very high charge state ions in single ion-atom collisions. Topics considered include some aspects of highly ionized atoms, experimental approaches, the production of highly charged target ions (monoatomic targets, recoil energy distribution, molecular fragmentation, outer-shell rearrangement, lifetime measurements, a comparison of projectile-, target-, and plasma-ion stripping), and secondary collision experiments (selective electron capture, potential applications). The heavy-ion beams for the described experiments were provided by accelerators such as tandem Van de Graaff facility and the UNILAC

The RHIC polarized H{sup −} ion source

Energy Technology Data Exchange (ETDEWEB)

Zelenski, A., E-mail: zelenski@bnl.gov; Atoian, G.; Raparia, D.; Ritter, J.; Steski, D. [Brookhaven National Laboratory, Upton, New York 11973 (United States)

2016-02-15

A novel polarization technique had been successfully implemented for the Relativistic Heavy Ion Collider (RHIC) polarized H{sup −} ion source upgrade to higher intensity and polarization. In this technique, a proton beam inside the high magnetic field solenoid is produced by ionization of the atomic hydrogen beam (from external source) in the He-gaseous ionizer cell. Further proton polarization is produced in the process of polarized electron capture from the optically pumped Rb vapor. The use of high-brightness primary beam and large cross sections of charge-exchange cross sections resulted in production of high intensity H{sup −} ion beam of 85% polarization. The source very reliably delivered polarized beam in the RHIC Run-2013 and Run-2015. High beam current, brightness, and polarization resulted in 75% polarization at 23 GeV out of Alternating Gradient Synchrotron (AGS) and 60%-65% beam polarization at 100-250 GeV colliding beams in RHIC.

Organic positive ions in aircraft gas-turbine engine exhaust

Science.gov (United States)

Sorokin, Andrey; Arnold, Frank

Volatile organic compounds (VOCs) represent a significant fraction of atmospheric aerosol. However the role of organic species emitted by aircraft (as a consequence of the incomplete combustion of fuel in the engine) in nucleation of new volatile particles still remains rather speculative and requires a much more detailed analysis of the underlying mechanisms. Measurements in aircraft exhaust plumes have shown the presence of both different non-methane VOCs (e.g. PartEmis project) and numerous organic cluster ions (MPIK-Heidelberg). However the link between detected organic gas-phase species and measured mass spectrum of cluster ions is uncertain. Unfortunately, up to now there are no models describing the thermodynamics of the formation of primary organic cluster ions in the exhaust of aircraft engines. The aim of this work is to present first results of such a model development. The model includes the block of thermodynamic data based on proton affinities and gas basicities of organic molecules and the block of non-equilibrium kinetics of the cluster ions evolution in the exhaust. The model predicts important features of the measured spectrum of positive ions in the exhaust behind aircraft. It is shown that positive ions emitted by aircraft engines into the atmosphere mostly consist of protonated and hydrated organic cluster ions. The developed model may be explored also in aerosol investigations of the background atmosphere as well as in the analysis of the emission of fine aerosol particles by automobiles.

Energetics of lithium ion battery failure

Energy Technology Data Exchange (ETDEWEB)

Lyon, Richard E., E-mail: richard.e.lyon@faa.gov; Walters, Richard N.

2016-11-15

Highlights: • First measure of anaerobic failure energy of lithium ion batteries. • Novel and simple bomb calorimeter method developed and demonstrated. • Four different cathode chemistries examined. • Full range of charged capacity used as independent variable. • Failure energy identified as primary safety hazard. - Abstract: The energy released by failure of rechargeable 18-mm diameter by 65-mm long cylindrical (18650) lithium ion cells/batteries was measured in a bomb calorimeter for 4 different commercial cathode chemistries over the full range of charge using a method developed for this purpose. Thermal runaway was induced by electrical resistance (Joule) heating of the cell in the nitrogen-filled pressure vessel (bomb) to preclude combustion. The total energy released by cell failure, ΔH{sub f}, was assumed to be comprised of the stored electrical energy E (cell potential × charge) and the chemical energy of mixing, reaction and thermal decomposition of the cell components, ΔU{sub rxn}. The contribution of E and ΔU{sub rxn} to ΔH{sub f} was determined and the mass of volatile, combustible thermal decomposition products was measured in an effort to characterize the fire safety hazard of rechargeable lithium ion cells.

Microdosimetry of proton and carbon ions

Energy Technology Data Exchange (ETDEWEB)

Liamsuwan, Thiansin [Thailand Institute of Nuclear Technology, Ongkharak, Nakhon Nayok 26120 (Thailand); Hultqvist, Martha [Medical Radiation Physics, Department of Physics, Stockholm University, SE-10691 (Sweden); Lindborg, Lennart; Nikjoo, Hooshang, E-mail: hooshang.nikjoo@ki.se [Radiation Biophysics Group, Department of Oncology-Pathology, Karolinska Institutet, Box 260 SE-17176, Stockholm (Sweden); Uehara, Shuzo [School of Health Sciences, Kyushu University, Fukuoka 812-8581 (Japan)

2014-08-15

Purpose: To investigate microdosimetry properties of 160 MeV/u protons and 290 MeV/u{sup 12}C ion beams in small volumes of diameters 10–100 nm. Methods: Energy distributions of primary particles and nuclear fragments in the beams were calculated from simulations with the general purpose code SHIELD-HIT, while energy depositions by monoenergetic ions in nanometer volumes were obtained from the event-by-event Monte Carlo track structure ion code PITS99 coupled with the electron track structure code KURBUC. Results: The results are presented for frequencies of energy depositions in cylindrical targets of diameters 10–100 nm, dose distributionsyd(y) in lineal energy y, and dose-mean lineal energies y{sup ¯}{sub D}. For monoenergetic ions, the y{sup ¯}{sub D} was found to increase with an increasing target size for high-linear energy transfer (LET) ions, but decrease with an increasing target size for low-LET ions. Compared to the depth dose profile of the ion beams, the maximum of the y{sup ¯}{sub D} depth profile for the 160 MeV proton beam was located at ∼0.5 cm behind the Bragg peak maximum, while the y{sup ¯}{sub D} peak of the 290 MeV/u {sup 12}C beam coincided well with the peak of the absorbed dose profile. Differences between the y{sup ¯}{sub D} and dose-averaged linear energy transfer (LET{sub D}) were large in the proton beam for both target volumes studied, and in the {sup 12}C beam for the 10 nm diameter cylindrical volumes. The y{sup ¯}{sub D} determined for 100 nm diameter cylindrical volumes in the {sup 12}C beam was approximately equal to the LET{sub D}. The contributions from secondary particles to the y{sup ¯}{sub D} of the beams are presented, including the contributions from secondary protons in the proton beam and from fragments with atomic number Z = 1–6 in the {sup 12}C beam. Conclusions: The present investigation provides an insight into differences in energy depositions in subcellular-size volumes when irradiated by proton and

Surface negative ion production in ion sources

International Nuclear Information System (INIS)

Belchenko, Y.

1993-01-01

Negative ion sources and the mechanisms for negative ion production are reviewed. Several classes of sources with surface origin of negative ions are examined in detail: surface-plasma sources where ion production occurs on the electrode in contact with the plasma, and ''pure surface'' sources where ion production occurs due to conversion or desorption processes. Negative ion production by backscattering, impact desorption, and electron- and photo-stimulated desorption are discussed. The experimental efficiencies of intense surface negative ion production realized on electrodes contacted with hydrogen-cesium or pure hydrogen gas-discharge plasma are compared. Recent modifications of surface-plasma sources developed for accelerator and fusion applications are reviewed in detail

[Donor age affects on the «behavior» and the sensibility bone marrow cells in on copper ion of the primary culture].

Science.gov (United States)

Bozhkov, A I; Ohiienko, S L; Kuznetsova, Yu A; Bondar', A Yu; Marchenko, V P; Gumennaya, M S

2017-01-01

The changes of bone marrow cells (BMC) number in the primary culture from 0 to 96 hours, the pattern (the distribution of cells) of cells morphotypes and «lifespan» (the time of cell life after isolation) of myelocytes, metamyelocytes, band and segmented neutrophils, isolated of the young (3 months) and old (20months) animals, were investigated. The number of the BMC obtained from intact old animals increased faster in primary culture, than from young animals. The Cu induced fibrosis had different influence on the rate of BMC culture growth of old and young animals. The adding of 4 mM and 8 mM CuSO4x5H2O in the BMC culture of young and old animals resulted in a dose-dependent inhibition of growth rate of young animal cells. If copper ions were added into the culture of BMC of old animals, the decreased of the BMC number was described less than for cells of young animals. The adding of 8 mM CuSO4x5H2O inhibited proliferation less, than the adding of 4 mM CuSO4x5H2O. The Cu-induced liver fibrosis had accelerated the BMC rate death of both old and young animals. However, this effect was more pronounced in young animals. It is suggested, that during the ontogenesis the BMC undergo such epigenetic changes, which change functional properties.

Detection and clearing of trapped ions in the high current Cornell photoinjector

Directory of Open Access Journals (Sweden)

S. Full

2016-03-01

Full Text Available We have recently performed experiments to test the effectiveness of three ion-clearing strategies in the Cornell high intensity photoinjector: DC clearing electrodes, bunch gaps, and beam shaking. The photoinjector reaches a new regime of linac beam parameters where high continuous wave beam currents lead to ion trapping. Therefore ion mitigation strategies must be evaluated for this machine and other similar future high current linacs. We have developed several techniques to directly measure the residual trapped ions. Our two primary indicators of successful clearing are the amount of ion current removed by a DC clearing electrode, and the absence of bremsstrahlung radiation generated by beam-ion interactions. Measurements were taken for an electron beam with an energy of 5 MeV and continuous wave beam currents in the range of 1–20 mA. Several theoretical models have been developed to explain our data. Using them, we are able to estimate the clearing electrode voltage required for maximum ion clearing, the creation and clearing rates of the ions while employing bunch gaps, and the sinusoidal shaking frequency necessary for clearing via beam shaking. In all cases, we achieve a maximum ion clearing of at least 70% or higher, and in some cases our data is consistent with full ion clearing.

Simulated production rates of exotic nuclei from the ion guide for neutron-induced fission at IGISOL

Energy Technology Data Exchange (ETDEWEB)

Jansson, Kaj; Al-Adili, Ali; Nilsson, Nicklas; Norlin, Martin; Solders, Andreas [Uppsala University, Department of Physics and Astronomy, Uppsala (Sweden)

2017-12-15

An investigation of the stopping efficiency of fission products, in the new ion guide designed for ion production through neutron-induced fission at IGISOL in Jyvaeskylae, Finland, has been conducted. Our simulations take into account the new neutron converter, enabling measurements of neutron-induced fission yields, and thereby provide estimates of the obtained yields as a function of primary proton beam current. Different geometries, targets, and pressures, as well as models for the effective charge of the stopped ions were tested, and optimisations to the setup for higher yields are suggested. The predicted number of ions stopped in the gas lets us estimate the survival probability of the ions reaching the downstream measurements stations. (orig.)

Time‐of‐flight secondary ion mass spectrometry imaging of biological samples with delayed extraction for high mass and high spatial resolutions

Science.gov (United States)

Vanbellingen, Quentin P.; Elie, Nicolas; Eller, Michael J.; Della‐Negra, Serge; Touboul, David

2015-01-01

Rationale In Time‐of‐Flight Secondary Ion Mass Spectrometry (TOF‐SIMS), pulsed and focused primary ion beams enable mass spectrometry imaging, a method which is particularly useful to map various small molecules such as lipids at the surface of biological samples. When using TOF‐SIMS instruments, the focusing modes of the primary ion beam delivered by liquid metal ion guns can provide either a mass resolution of several thousand or a sub‐µm lateral resolution, but the combination of both is generally not possible. Methods With a TOF‐SIMS setup, a delayed extraction applied to secondary ions has been studied extensively on rat cerebellum sections in order to compensate for the effect of long primary ion bunches. Results The use of a delayed extraction has been proven to be an efficient solution leading to unique features, i.e. a mass resolution up to 10000 at m/z 385.4 combined with a lateral resolution of about 400 nm. Simulations of ion trajectories confirm the experimental determination of optimal delayed extraction and allow understanding of the behavior of ions as a function of their mass‐to‐charge ratio. Conclusions Although the use of a delayed extraction has been well known for many years and is very popular in MALDI, it is much less used in TOF‐SIMS. Its full characterization now enables secondary ion images to be recorded in a single run with a submicron spatial resolution and with a mass resolution of several thousand. This improvement is very useful when analyzing lipids on tissue sections, or rare, precious, or very small size samples. © 2015 The Authors. Rapid Communications in Mass Spectrometry published by John Wiley & Sons Ltd. PMID:26395603

Track structure for low energy ions including charge exchange processes

International Nuclear Information System (INIS)

Uehara, S.; Nikjoo, H.

2002-01-01

The model and development is described of a new generation of Monte Carlo track structure codes. The code LEAHIST simulates full slowing down of low-energy proton history tracks in the range 1 keV-1 MeV and the code LEAHIST simulates low-energy alpha particle history tracks in the range 1 keV-8 MeV in water. All primary ion interactions are followed down to 1 keV and all electrons to 1 eV. Tracks of secondary electrons ejected by ions were traced using the electron code KURBUC. Microdosimetric parameters derived by analysis of generated tracks are presented. (author)

Ion-ion collisions

International Nuclear Information System (INIS)

Salzborn, Erhard; Melchert, Frank

2000-01-01

Collisions between ions belong to the elementary processes occurring in all types of plasmas. In this article we give a short overview about collisions involving one-electron systems. For collisions involving multiply-charged ions we limit the discussion to one specific quasi-one-electron system. (author)

Numerical simulation of ion temperature gradient driven modes in the presence of ion-ion collisions

International Nuclear Information System (INIS)

Xu, X.Q.

1990-08-01

Ion temperature gradient driven modes in the presence of ion-ion collisions in a toroidal geometry with trapped ions have been studied by using a 1 2/2 d linearized gyro-kinetic particle simulation code in the electrostatic limit. The purpose of the investigation is to try to understand the physics of flat density discharges, in order to test the marginal stability hypothesis. Results giving threshold conditions of L Ti /R 0 , an upper bound on k χ , and linear growth rates and mode frequencies over all wavelengths for the collisionless ion temperature gradient driven modes are obtained. The behavior of ion temperature gradient driven instabilities in the transition from slab to toroidal geometry, with trapped ions, is shown. A Monte Carlo scheme for the inclusion of ion-ion collisions, in which ions can undergo Coulomb collisional dynamical friction, velocity space diffusion and random walk of guiding centers, has been constructed. The effects of ion-ion collisions on the long wave length limit of the ion modes is discussed. 44 refs., 12 figs

Deamidation reactions of protonated asparagine and glutamine investigated by ion spectroscopy

NARCIS (Netherlands)

Kempkes, L.J.M.; Martens, J.K.; Grzetic, J.; Berden, G.; Oomens, J.

2016-01-01

RATIONALE: Deamidation of Asn and Gln residues is a primary route for spontaneous post-translational protein modification. Several structures have been proposed for the deamidation products of the protonated amino acids. Here we verify these structures by ion spectroscopy, as well as the structures

Comparative effectiveness of metal ions in inducing curvature of primary roots of Zea mays

Science.gov (United States)

Hasenstein, K. H.; Evans, M. L.; Stinemetz, C. L.; Moore, R.; Fondren, W. M.; Koon, E. C.; Higby, M. A.; Smucker, A. J.

1988-01-01

We used five cultivars of Zea mays (Bear Hybrid WF9 * 38MS, B73 * Missouri 17, Yellow Dent, Merit, and Great Lakes Hybrid 422) to reinvestigate the specificity of metal ions for inducing root curvature. Of 17 cations tested, 6 (Al3+, Ba2+, Ca2+, Cd2+, Cu2+, Zn2+) induced curvature. Roots curved away from Al3+, Ba2+, and Cd2+. Roots curved away from low (0.1 millimolar) concentrations of Cu2+ but toward higher (1-5 millimolar) concentrations. Roots initially curved away from Zn2+ but the direction of the subsequent curvature was unpredictable. In most cases, roots of all cultivars curved towards calcium. However, in some tests there was no response to calcium or even (especially in the cultivars Merit and B73 * Missouri 17) substantial curvature away from calcium. The results indicate that the induction of root curvature is not specific for calcium. The results are discussed relative to the possible role of calmodulin as a mediator of ion-induced root curvature.

Universal imaging: Dissociative ionization of polyatomic molecules, chemical dynamics beamline 9.0.2

Energy Technology Data Exchange (ETDEWEB)

Ahmed, M.; Chen, D.; Suits, A.G. [Ernest Orlando Lawrence Berkeley National Lab., CA (United States)

1997-04-01

A third endstation was recently added to the Chemical Dynamics beamline, designed to exploit the high flux broadband undulator light for a range of studies of reactive scattering, photochemistry and photoionization processes using time-of-flight mass spectroscopy coupled with position-sensitive detection. Two molecular beam sources are fixed at right angles, with the undulator light, or laser beams, intersecting the molecular beams at 45{degrees}. To date, beamline experiments have included a study of dissociative photoionization of a variety of molecules including N{sub 2}O and SF{sub 6}. In this mode, a single molecular beam source is used, with the tunable undulator light inducing, in SF{sub 6} for example, the process SF{sub 6} {r_arrow} SF{sub 6}{sup +} + e{sup {minus}} {r_arrow} SF{sub 5}{sup +} + F + e{sup {minus}}. The SF{sub 5}{sup +} ions are accelerated up the flight tube, mass selected and detected as a function of position on a phosphor screen viewed by a CCD camera. The position directly reveals the recoil speed (or translational energy release) and angular distribution for the dissociative ionization process. Furthermore, this measurement is obtained for all recoil speeds and angles simultaneously. Such detailed angular information has not previously been obtained for dissociative ionization processes; typically ion time-of-flight profiles are deconvoluted to yield rough insight into the angular distributions. The recorded image is actually a 2-dimensional projection of the nascent 3-dimensional velocity distribution, but established tomographic techniques enable the authors to reconstruct the 3-D distribution.

Scanning ion microscopy with low energy lithium ions

International Nuclear Information System (INIS)

Twedt, Kevin A.; Chen, Lei; McClelland, Jabez J.

2014-01-01

Using an ion source based on photoionization of laser-cooled lithium atoms, we have developed a scanning ion microscope with probe sizes of a few tens of nanometers and beam energies from 500 eV to 5 keV. These beam energies are much lower than the typical operating energies of the helium ion microscope or gallium focused ion beam systems. We demonstrate how low energy can be advantageous in ion microscopy when detecting backscattered ions, due to a decreased interaction volume and the potential for surface sensitive composition analysis. As an example application that demonstrates these advantages, we non-destructively image the removal of a thin residual resist layer during plasma etching in a nano-imprint lithography process. - Highlights: • We use an ion source based on photoionization of laser-cooled lithium atoms. • The ion source makes possible a low energy (500 eV to 5 keV) scanning ion microscope. • Low energy is preferred for ion microscopy with backscattered ions. • We use the microscope to image a thin resist used in nano-imprint lithography

FASEB Science Research Conference on Ion Channel Regulation

Science.gov (United States)

2015-11-02

mathematical strategies for the study of ion channels. The primary aim of this conference was to provide a synergistic environment fostering cross...Corona Street Denver, CO 80218 USA Email: angela.wild@ucdenver.edu Brittany Williams University of Iowa Interdisciplinary Graduate Program in...Neuroscience 604 Bowery Street apt 3 iowa city, IA 55240 USA Email: brittany -williams@uiowa.edu Jason Wu Duke University Neurobiology 2

Influence of zirconium ion concentration in model extraction systems TBP - diluents - Zr+4 - nitric acid

International Nuclear Information System (INIS)

Rogoz, F.; Tlalka, M.

1987-07-01

In systems containing TBP, MBP, DBP and 1-butanol stable emulsions and precipitates are formed which separation is difficult in certain domain of concentration in zirconium ions. MPB and DBP increase stability of primary emulsion in kerosen and carbon tetrachloride but for different concentrations of nitric acid. Addition of 1-butanol decreases slightly the stability of primary emulsion [fr

EDF PWRs primary coolant purification strategies

International Nuclear Information System (INIS)

Gressier, Frederic; Mascarenhas, Darren; Taunier, Stephane; Le-Calvar, Marc; Bretelle, Jean-Luc; Ranchoux, Gilles

2012-09-01

In order to achieve a good physico-chemical quality of the primary coolant fluid, the primary water is continuously treated by the Chemical and Volume Control System (CVCS). This system is composed of a treatment chain containing filters and ion-exchange resins. In the EDF design, an upstream filter is placed before the resin so as to prevent it from being saturated with insoluble particles. Then, the fluid passes through several resin beds (up to 3 depending on the configuration) and again through a downstream filter that prevents resin fines dissemination into the reactor coolant. Much work has been conducted in the last 5 years on the homogenisation of products and usage on French EDF NPP primary coolant treatment, while taking into account the compromise between source term reduction, liquid and solid waste, and buying and disposal costs. Two national markets have been created, and two operational documents for chemists on site have been published: a filtration guideline and an ion-exchange resin guideline. Both documents give general information about the products used, how are they characterized and selected for national market (technical requirements, standards and tests), how they should be used and what are the change-out criteria. They are also periodically updated based on feedback from sites. The positive impact on resin and filter lifetime (extension of some, limitation of others), homogenisation of products and usage will be presented. Moreover, EDF is constantly in the process of improving the current purification methods, as well as researching the use of existing and novel technologies. In this field, recent experiments on short loading of resin during reactor shutdown has been tested on site with success. In addition, work is done on silica free filters, filter consumption and filter chemical release. An overview of these optimization methods will be given. (authors)

Ion microtomography using ion time-of-flight

International Nuclear Information System (INIS)

Roberts, M.L.; Heikkinen, D.W.; Proctor, I.D.; Pontau, A.E.; Olona, G.T.; Felter, T.E.; Morse, D.H.; Hess, B.V.

1992-01-01

We have developed and are in the process of testing an ion time-of-flight (TOF) detector system for use in our ion microtomography measurements. Using TOF, ion energy is determined by measurement of the ion's flight time over a certain path length. For ion microtomography, the principle advantage of TOF analysis is that ion count rates of several hundred thousand counts per second can be achieved as compared to a limit of about ten thousand ions per second when using a solid-state silicon surface barrier detector and associated electronics. This greater than 10 fold increase in count rate correspondingly shortens sample analysis time or increases the amount of data that can be collected on a given sample. Details of the system and progress to date are described

Ion implantation

International Nuclear Information System (INIS)

Dearnaley, Geoffrey

1975-01-01

First, ion implantation in semiconductors is discussed: ion penetration, annealing of damage, gettering, ion implanted semiconductor devices, equipement requirements for ion implantation. The importance of channeling for ion implantation is studied. Then, some applications of ion implantation in metals are presented: study of the corrosion of metals and alloys; influence or ion implantation on the surface-friction and wear properties of metals; hyperfine interactions in implanted metals

High LET radiation shows no major cellular and functional effects on primary cardiomyocytes in vitro

Science.gov (United States)

Heselich, Anja; Frieß, Johannes L.; Ritter, Sylvia; Benz, Naja P.; Layer, Paul G.; Thielemann, Christiane

2018-02-01

It is well known that ionizing radiation causes adverse effects on various mammalian tissues. However, there is little information on the biological effects of heavy ion radiation on the heart. In order to fill this gap, we systematically examined DNA-damage induction and repair, as well as proliferation and apoptosis in avian cardiomyocyte cultures irradiated with heavy ions such as titanium and iron, relevant for manned space-flight, and carbon ions, as used for radiotherapy. Further, and to our knowledge for the first time, we analyzed the effect of heavy ion radiation on the electrophysiology of primary cardiomyocytes derived from chicken embryos using the non-invasive microelectrode array (MEA) technology. As electrophysiological endpoints beat rate and field action potential duration were analyzed. The cultures clearly exhibited the capacity to repair induced DNA damage almost completely within 24 h, even at doses of 7 Gy, and almost completely recovered from radiation-induced changes in proliferative behavior. Interestingly, no significant effects on apoptosis could be detected. Especially the functionality of primary cardiac cells exhibited a surprisingly high robustness against heavy ion radiation, even at doses of up to 7 Gy. In contrast to our previous study with X-rays the beat rate remained more or less unaffected after heavy ion radiation, independently of beam quality. The only change we could observe was an increase of the field action potential duration of up to 30% after titanium irradiation, diminishing within the following three days. This potentially pathological observation may be an indication that heavy ion irradiation at high doses could bear a long-term risk for cardiovascular disease induction.

Feasibility of carbon-ion radiotherapy for re-irradiation of locoregionally recurrent, metastatic, or secondary lung tumors.

Science.gov (United States)

Hayashi, Kazuhiko; Yamamoto, Naoyoshi; Karube, Masataka; Nakajima, Mio; Tsuji, Hiroshi; Ogawa, Kazuhiko; Kamada, Tadashi

2018-03-02

Intrathoracic recurrence after carbon-ion radiotherapy for primary or metastatic lung tumors remains a major cause of cancer-related deaths. However, treatment options are limited. Herein, we report on the toxicity and efficacy of re-irradiation with carbon-ion radiotherapy for locoregionally recurrent, metastatic, or secondary lung tumors. Data of 95 patients with prior intrathoracic carbon-ion radiotherapy who were treated with re-irradiation with carbon-ion radiotherapy at our institution between 2006 and 2016 were retrospectively analyzed. Seventy-three patients (76.8%) had primary lung tumors and 22 patients (23.2%) had metastatic lung tumors. The median dose of initial carbon-ion radiotherapy was 52.8 Gy (relative biological effectiveness) and the median dose of re-irradiation was 66.0 Gy (relative biological effectiveness). None of the patients received concurrent chemotherapy. The median follow-up period after re-irradiation was 18 months. In terms of grade ≥3 toxicities, one patient experienced each of the following: grade 5 bronchopleural fistula, grade 4 radiation pneumonitis, grade 3 chest pain, and grade 3 radiation pneumonitis. The 2-year local control and overall survival rates were 54.0% and 61.9%, respectively. In conclusion, re-irradiation with carbon-ion radiotherapy was associated with relatively low toxicity and moderate efficacy. Re-irradiation with carbon-ion radiotherapy might be an effective treatment option for patients with locoregionally recurrent, metastatic, or secondary lung tumors. © 2018 The Authors. Cancer Science published by John Wiley & Sons Australia, Ltd on behalf of Japanese Cancer Association.

High-resolution high-sensitivity elemental imaging by secondary ion mass spectrometry: from traditional 2D and 3D imaging to correlative microscopy

International Nuclear Information System (INIS)

Wirtz, T; Philipp, P; Audinot, J-N; Dowsett, D; Eswara, S

2015-01-01

Secondary ion mass spectrometry (SIMS) constitutes an extremely sensitive technique for imaging surfaces in 2D and 3D. Apart from its excellent sensitivity and high lateral resolution (50 nm on state-of-the-art SIMS instruments), advantages of SIMS include high dynamic range and the ability to differentiate between isotopes. This paper first reviews the underlying principles of SIMS as well as the performance and applications of 2D and 3D SIMS elemental imaging. The prospects for further improving the capabilities of SIMS imaging are discussed. The lateral resolution in SIMS imaging when using the microprobe mode is limited by (i) the ion probe size, which is dependent on the brightness of the primary ion source, the quality of the optics of the primary ion column and the electric fields in the near sample region used to extract secondary ions; (ii) the sensitivity of the analysis as a reasonable secondary ion signal, which must be detected from very tiny voxel sizes and thus from a very limited number of sputtered atoms; and (iii) the physical dimensions of the collision cascade determining the origin of the sputtered ions with respect to the impact site of the incident primary ion probe. One interesting prospect is the use of SIMS-based correlative microscopy. In this approach SIMS is combined with various high-resolution microscopy techniques, so that elemental/chemical information at the highest sensitivity can be obtained with SIMS, while excellent spatial resolution is provided by overlaying the SIMS images with high-resolution images obtained by these microscopy techniques. Examples of this approach are given by presenting in situ combinations of SIMS with transmission electron microscopy (TEM), helium ion microscopy (HIM) and scanning probe microscopy (SPM). (paper)

Short bunch length detector for ion beam with high bunch density

International Nuclear Information System (INIS)

Tron, A.M.; Shako, V.V.

1993-01-01

The secondary electron rf monitors for short ion bunch phase distribution measurements are presented. Construction particularities of the monitors, influence of space charge of both the primary and the secondary electron beams on the phase resolution, thermal regime of the target during beam-target interaction are considered

Ion Beam Extraction by Discrete Ion Focusing

DEFF Research Database (Denmark)

2010-01-01

An apparatus (900) and methods are disclosed for ion beam extraction. In an implementation, the apparatus includes a plasma source (or plasma) (802) and an ion extractor (804). The plasma source is adapted to generate ions and the ion extractor is immersed in the plasma source to extract a fracti...

Ion creation, ion focusing, ion/molecule reactions, ion separation, and ion detection in the open air in a small plastic device.

Science.gov (United States)

Baird, Zane; Wei, Pu; Cooks, R Graham

2015-02-07

A method is presented in which ions are generated and manipulated in the ambient environment using polymeric electrodes produced with a consumer-grade 3D printer. The ability to focus, separate, react, and detect ions in the ambient environment is demonstrated and the data agree well with simulated ion behaviour.

Reference interaction site model with hydrophobicity induced density inhomogeneity: An analytical theory to compute solvation properties of large hydrophobic solutes in the mixture of polyatomic solvent molecules

International Nuclear Information System (INIS)

Cao, Siqin; Sheong, Fu Kit; Huang, Xuhui

2015-01-01

Reference interaction site model (RISM) has recently become a popular approach in the study of thermodynamical and structural properties of the solvent around macromolecules. On the other hand, it was widely suggested that there exists water density depletion around large hydrophobic solutes (>1 nm), and this may pose a great challenge to the RISM theory. In this paper, we develop a new analytical theory, the Reference Interaction Site Model with Hydrophobicity induced density Inhomogeneity (RISM-HI), to compute solvent radial distribution function (RDF) around large hydrophobic solute in water as well as its mixture with other polyatomic organic solvents. To achieve this, we have explicitly considered the density inhomogeneity at the solute-solvent interface using the framework of the Yvon-Born-Green hierarchy, and the RISM theory is used to obtain the solute-solvent pair correlation. In order to efficiently solve the relevant equations while maintaining reasonable accuracy, we have also developed a new closure called the D2 closure. With this new theory, the solvent RDFs around a large hydrophobic particle in water and different water-acetonitrile mixtures could be computed, which agree well with the results of the molecular dynamics simulations. Furthermore, we show that our RISM-HI theory can also efficiently compute the solvation free energy of solute with a wide range of hydrophobicity in various water-acetonitrile solvent mixtures with a reasonable accuracy. We anticipate that our theory could be widely applied to compute the thermodynamic and structural properties for the solvation of hydrophobic solute

Study of ion exchange equilibrium and determination of heat of ion exchange by ion chromatography

International Nuclear Information System (INIS)

Liu Kailu; Yang Wenying

1996-01-01

Ion chromatography using pellicularia ion exchange resins and dilute solution can be devoted to the study of ion exchange thermodynamics and kinetics. Ion exchange equilibrium equation was obtained, and examined by the experiments. Based on ion exchange equilibrium, the influence of eluent concentration and resin capacity on adjusted retention volumes was examined. The effect of temperature on adjusted retention volumes was investigated and heats of ion exchange of seven anions were determined by ion chromatography. The interaction between anions and skeleton structure of resins were observed

Towards a Quantum Dynamical Study of the H_2O+H_2O Inelastic Collision: Representation of the Potential and Preliminary Results

Science.gov (United States)

Ndengue, Steve Alexandre; Dawes, Richard

2017-06-01

Water, an essential ingredient of life, is prevalent in space and various media. H_2O in the gas phase is the major polyatomic species in the interstellar medium (ISM) and a primary target of current studies of collisional dynamics. In recent years a number of theoretical and experimental studies have been devoted to H_2O-X (with X=He, H_2, D_2, Ar, ?) elastic and inelastic collisions in an effort to understand rotational distributions of H_2O in molecular clouds. Although those studies treated several abundant species, no quantum mechanical calculation has been reported to date for a nonlinear polyatomic collider. We present in this talk the preliminary steps toward this goal, using the H_2O molecule itself as our collider, the very accurate MB-Pol surface to describe the intermolecular interaction and the MultiConfiguration Time Dependent (MCTDH) algorithm to study the dynamics. One main challenge in this effort is the need to express the Potential Energy Surface (PES) in a sum-of-products form optimal for MCTDH calculations. We will describe how this was done and present preliminary results of state-to-state probabilities.

On the cost-effectiveness of Carbon ion radiation therapy for skull base chordoma

International Nuclear Information System (INIS)

Jaekel, Oliver; Land, Beate; Combs, Stephanie Elisabeth; Schulz-Ertner, Daniela; Debus, Juergen

2007-01-01

Aim: The cost-effectiveness of Carbon ion radiotherapy (RT) for patients with skull base chordoma is analyzed. Materials and Methods: Primary treatment costs and costs for recurrent tumors are estimated. The costs for treatment of recurrent tumors were estimated using a sample of 10 patients presenting with recurrent chordoma at the base of skull at DKFZ. Using various scenarios for the local control rate and reimbursements of Carbon ion therapy the cost-effectiveness of ion therapy for these tumors is analyzed. Results: If local control rate for skull base chordoma achieved with carbon ion therapy exceeds 70.3%, the overall treatment costs for carbon RT are lower than for conventional RTI. The cost-effectiveness ratio for carbon RT is 2539 Euro per 1% increase in survival, or 7692 Euro per additional life year. Conclusion: Current results support the thesis that Carbon ion RT, although more expensive, is at least as cost-effective as advanced photon therapies for these patients. Ion RT, however, offers substantial benefits for the patients such as improved control rates and less severe side effects

Constraints due to the production of radioactive ion beams in the SPIRAL project

International Nuclear Information System (INIS)

Leroy, R.; Huguet, Y.; Jardin, P.; Marry, C.; Pacquet, J.Y.; Villari, A.C.C.

1997-01-01

The radioactive ion beams that will be delivered by the SPIRAL facility will be produced by the interaction of a stable high energy and high intensity primary ion beam delivered by the GANIL cyclotrons with a carbon target heated to 2000 deg C. During this interaction, some radioactive atoms will be created and will diffuse out of the target before entering into an electron cyclotron resonance ion source where they will be ionized and extracted. The production of radioactive ion beams with this method implies high radiation fields that activate and can damage materials located in the neighborhood of the target. Therefore, the production system which is composed of the permanent magnet ECR ion source coupled to a graphite target will be changed after two weeks of irradiation. As this ensemble will be very radioactive, this operation has to be supervised by remote control. The radiation levels around the target-ion source system and a detailed description of the different precautions that have been taken for safety and for prevention of contamination and irradiation are presented. (author)

Hydration number of alkali metal ions determined by insertion in a conducting polymer

DEFF Research Database (Denmark)

Skaarup, Steen

2008-01-01

of all other water molecules whose properties are still influenced significantly by the cation. Knowing the hydration number is important when considering, for instance, the transport of Na+ and K+ in biological cell membranes, since their different behavior may depend on the details of ion hydration....... The solvation of alkali metal ions has been discussed for many years without a clear consensus. This work presents a systematic study of the hydration numbers of the 5 alkali metal ions, using the electrochemical insertion of the ions in a conducting polymer (polypyrrole containing the large immobile anion DBS...... direct calculation of the number of M+ ions entering the film, and therefore the inserted M+ mass. The mass of the water molecules is calculated as a difference. The results yield the following primary hydration numbers: Li+: 5.5-5.6; Na+: 4.0-4.1; K+: 2.0-2.5; Rb+: 0.6-1.2; Cs+: ~0. The most important...

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

Laser-cooled atomic ions as probes of molecular ions

Energy Technology Data Exchange (ETDEWEB)

Brown, Kenneth R.; Viteri, C. Ricardo; Clark, Craig R.; Goeders, James E.; Khanyile, Ncamiso B.; Vittorini, Grahame D. [Schools of Chemistry and Biochemistry, Computational Science and Engineering and Physics, Georgia Institute of Technology, Atlanta, GA 30332 (United States)

2015-01-22

Trapped laser-cooled atomic ions are a new tool for understanding cold molecular ions. The atomic ions not only sympathetically cool the molecular ions to millikelvin temperatures, but the bright atomic ion fluorescence can also serve as a detector of both molecular reactions and molecular spectra. We are working towards the detection of single molecular ion spectra by sympathetic heating spectroscopy. Sympathetic heating spectroscopy uses the coupled motion of two trapped ions to measure the spectra of one ion by observing changes in the fluorescence of the other ion. Sympathetic heating spectroscopy is a generalization of quantum logic spectroscopy, but does not require ions in the motional ground state or coherent control of the ion internal states. We have recently demonstrated this technique using two isotopes of Ca{sup +} [Phys. Rev. A, 81, 043428 (2010)]. Limits of the method and potential applications for molecular spectroscopy are discussed.

Quantization of secondary ion mass spectrometry (SIMS) data using external and internal standards

International Nuclear Information System (INIS)

Gnaser, H.

1983-01-01

Some aspects of multi-dimensional characterization of solids by secondary ion mass spectrometry (SIMS) are given. A theoretical part discusses methods for the quantization of SIMS data and the most prominent effects of ion-solid interactions as related to SIMS. After a description of the instrument used for experiments (a quadrupole-equipped ion microprobe featuring a liquid metal ion source in addition to the standard duoplasmatron gas ion source) the first experimental section is devoted to the determination of practical sensitivities and relative sensitivity factors for selected pure elements, binary and treary alloys and multicomponent systems. For 23 pure elements practical sensitivities under O + 2 bombardment also have been compared to those under In + -bombardment; it was shown that on oxygen saturated surfaces yields under In + -bombardment are higher, this making feasible use of submicron In-beams for surface analysis. In the second experimental section boron implants in silicon have been used for studying depth profiling capabilities of the instrument. Sputtering yields of Si and degrees of ionization of both B and Si have been measured. It has been shown that implantation profiles may deviate considerably from Gaussian but can be described by means of mathematical distribution functions. In the third experimental section depth resolution of the erosion process has been studied by profiling a Ni/Cr multilayer sample (100 A single layer) and been found to be approximately constant over the depth range investigated. Quantization of depth profiles, usually distorted by matrix effects, has been attempted using the primary beam species (In) as internal implantation standard. Some problems in connection with the conversion of secondary ion micrographs to concentration maps are discussed. Elemental detection limits in multidimensional SIMS analysis are given in dependence of primary beam size and total eroded depth. (Author)

Holifield Heavy Ion Research Facility: Users handbook

International Nuclear Information System (INIS)

Auble, R.L.

1987-01-01

The primary objective of this handbook is to provide information for those who plan to carry out research programs at the Holifield Heavy Ion Research Facility (HHIRF) at Oak Ridge National Laboratory. The accelerator systems and experimental apparatus available are described. The mechanism for obtaining accelerator time and the responsibilities of those users who are granted accelerator time are described. The names and phone numbers of ORNL personnel to call for information about specific areas are given

Control of Internal and External Short Circuits in Lithium Ion and Lithium Batteries, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — NASA has identified needs for compact high-energy-density primary and secondary batteries. Lithium and Lithium Ion cells, respectively, are meeting these needs for...

New facility for ion beam materials characterization and modification at Los Alamos

International Nuclear Information System (INIS)

Tesmer, J.R.; Maggiore, C.J.; Parkin, D.M.

1988-01-01

The Ion Beam Materials Laboratory (IBML) is a new Los Alamos laboratory devoted to the characterization and modification of the near surfaces of materials. The primary instruments of the IBML are a tandem electrostatic accelerator, a National Electrostatics Corp. Model 9SDH, coupled with a Varian CF-3000 ion implanter. The unique organizational structure of the IBML as well as the operational characteristics of the 9SDH (after approximately 3000 h of operation) and the laboratories' research capabilities will be discussed. Examples of current research results will also be presented. 5 refs., 2 figs

Biotransformation of primary nicotine metabolites. I. In vivo metabolism of R-(+)-[14C-NCH3]N-methylnicotinium ion in the guinea pig

International Nuclear Information System (INIS)

Pool, W.F.; Crooks, P.A.

1985-01-01

The in vivo biotransformation and tissue distribution of the methylated nicotine metabolite R-(+)-[ 14 C-NCH 3 ]N-methylnicotinium acetate was studied in the guinea pig. The detection and quantification of 24-hr urinary metabolites after ip injection was determined by cation-exchange HPLC interfaced to a radiochemical flowthrough detector. The urinary metabolite profile consisted of five peaks. One eluted close to the void, and three coeluted with authentic standards of N-methylcotininium ion, N-methylnornicotinium ion, and N-methylnicotinium ion. A fifth, and as yet unidentified, metabolite was also detected. Tissue distribution of 14 C label after 24 hr was highest in the adrenal gland and epididymis followed by the gallbladder, bladder, kidney, spleen, and heart. No significant amounts of 14 C were found in the brain. The results indicate that N-methylcotininium ion and N-methylnornicotinium ion are both formed subsequent to the formation of N-methylnicotinium ion in the metabolism of R-(+)-nicotine in the guinea pig

Production of light radioactive ion beams (RIB) using inverse kinematics

International Nuclear Information System (INIS)

Das, J.J.; Sugathan, P.; Madhavan, N.; Madhusudhana Rao, P.V.; Jhingan, A.; Varughese, T.; Barua, S.; Nath, S.; Sinha, A.K.; Kumar, B.; Zacharias, J.

2005-01-01

At Nuclear Science Centre (NSC), New Delhi, we have implemented a facility to produce low energy light radioactive ion beams (RIBs) using (p,n) type of reactions in inverse kinematics. For this purpose primary beams from the 15-UD Pelletron accelerator impinged on a thin polypropylene foil mounted on a rotating/linearly moving target assembly. For efficiently separating the secondary beam from primary beam, the existing recoil mass spectrometer (RMS) HIRA was operated with new ion optics. Suitable hardware modifications were also made. Using this facility, we have extracted a 7 Be beam of purity better than 99% and spot-size ∼4 mm in diameter. This 7 Be beam has been utilized in a variety of experiments in the energy range of 15-22 MeV. Typical beam parameters are: intensity 10 4 pps, angular spread ±30 mrad and energy spread ±0.5 MeV. Development of appropriate detector setup/target arrangement were also made to perform these experiments. In this paper, we describe the implementation of this project

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

Charge reconstruction of the DAMPE Silicon-Tungsten Tracker: A preliminary study with ion beams

Science.gov (United States)

Qiao, Rui; Peng, Wen-Xi; Guo, Dong-Ya; Zhao, Hao; Wang, Huan-Yu; Gong, Ke; Zhang, Fei; Wu, Xin; Azzarello, Phillip; Tykhonov, Andrii; Asfandiyarov, Ruslan; Gallo, Valentina; Ambrosi, Giovanni

2018-04-01

The DArk Matter Particle Explorer (DAMPE) is one of the four satellites within Strategic Pioneer Research Program in Space Science of the Chinese Academy of Science (CAS). DAMPE can detect electrons, photons in a wide energy range (5 GeV to 10 TeV) and ions up to iron (100 GeV to 100 TeV). The silicon-Tungsten Tracker (STK) is one of the four subdetectors in DAMPE, providing photon-electron conversion, track reconstruction and charge identification for ions. An ion beam test was carried out in CERN with 60 GeV/u Lead primary beams. Charge reconstruction and charge resolution of the STK detectors were investigated.

arXiv Charge reconstruction study of the DAMPE Silicon-Tungsten Tracker with ion beams

CERN Document Server

Qiao, Rui; Guo, Dong-Ya; Zhao, Hao; Wang, Huan-Yu; Gong, Ke; Zhang, Fei; Wu, Xin; Azzarello, Phillip; Tykhonov, Andrii; Asfandiyarov, Ruslan; Gallo, Valentina; Ambrosi, Giovanni; Mazziotta, Nicola; De Mitri, Ivan

The DArk Matter Particle Explorer (DAMPE) is one of the four satellites within Strategic Pioneer Research Program in Space Science of the Chinese Academy of Science (CAS). DAMPE can detect electrons, photons in a wide energy range (5 GeV to 10 TeV) and ions up to iron (100GeV to 100 TeV). Silicon-Tungsten Tracker (STK) is one of the four subdetectors in DAMPE, providing photon-electron conversion, track reconstruction and charge identification for ions. Ion beam test was carried out in CERN with 60GeV/u Lead primary beams. Charge reconstruction and charge resolution of STK detectors were investigated.

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

Ion guiding and losses in insulator capillaries

International Nuclear Information System (INIS)

Juhasz, Z.; Sulik, B.; Vikor, Gy.; Biri, S.; Fekete, E.; Ivan, I.; Gall, F.; Toekesi, K.; Matefi-Tempfli, S.; Matefi-Tempfli, M.

2007-01-01

Complete text of publication follows. Not long ago it was discovered that insulating capillaries can guide slow ions, so that the ions avoid close contact with the capillary walls and preserve their initial charge state. This phenomenon did not only give a new puzzle for theoreticians but opened the way for new possible applications where ions are manipulated (deflected, focused and directed to different patterns on the irradiated media) with small capillary devices. The most important question for such applications is how large fraction of the ions can be guided to the desired direction. It is already known that the ion guiding is due to the charging up of the inner capillary walls by earlier ion impact events. In tilted capillaries one side of the capillary walls charges up. This deflects the later arriving ions, so that some of them pass through the capillaries nearly parallel with respect to their axes. The angle where the transmission drops to 1/e of the direct transmission at 0 deg is the guiding angle, which characterize the guiding ability. At 0 deg the ideal 100 percent transmission for the ions, which enter the capillaries, is reduced due to the mirror charge attraction and geometrical imperfections. These losses appear in the transmission for tilted capillaries with similar magnitude, since after the deflection region, which usually restricted to the close surroundings of the capillary openings, the guided ions pass through the rest of the capillaries as in non-tilted samples. In our experimental studies with Al 2 O 3 capillaries we found that around 90 percent of the incoming ions are lost. To understand these significant losses, the effects of the mirror charge attraction and geometrical imperfections have been calculated classically. The mirror charge potential was taken from.The model of the capillaries used in the calculations can be seen in Figure 1. The calculations have shown that the effects of mirror charge attraction and the angular

Astronomical chemistry.

Science.gov (United States)

Klemperer, William

2011-01-01

The discovery of polar polyatomic molecules in higher-density regions of the interstellar medium by means of their rotational emission detected by radioastronomy has changed our conception of the universe from essentially atomic to highly molecular. We discuss models for molecule formation, emphasizing the general lack of thermodynamic equilibrium. Detailed chemical kinetics is needed to understand molecule formation as well as destruction. Ion molecule reactions appear to be an important class for the generally low temperatures of the interstellar medium. The need for the intrinsically high-quality factor of rotational transitions to definitively pin down molecular emitters has been well established by radioastronomy. The observation of abundant molecular ions both positive and, as recently observed, negative provides benchmarks for chemical kinetic schemes. Of considerable importance in guiding our understanding of astronomical chemistry is the fact that the larger molecules (with more than five atoms) are all organic.

Optimal N:P ratios of growth media: quantification of nutrient-replete growth rates in five ion hyperspace for Chlorella vulgaris (Dinophyceae) and Peridinium cinctum (Dinophyceae).

Science.gov (United States)

In this study our principal goal was to quantify the main effects and interactions of several primary nutrient and bulk solution ions. The total ion concentration range chosen spans fresh to brackish waters (1-30 milliMolar) and explores most of the hypervolume delineated by the five ion/concentrat...

Silicon-Carbon Nanotube Coaxial Sponge as Li-Ion Anodes with High Areal Capacity

KAUST Repository

Hu, Liangbing; Wu, Hui; Gao, Yifan; Cao, Anyuan; Li, Hongbian; McDough, James; Xie, Xing; Zhou, Min; Cui, Yi

2011-01-01

Highly porous, conductive Si-CNT sponge-like structures with a large areal mass loading are demonstrated as effective Li-ion battery anode materials. Nano-pore formation and growth in the Si shell has been identified as the primary failure mode

Inorganic ion exchangers and adsorbents for chemical processing in the nuclear fuel cycle

International Nuclear Information System (INIS)

1985-07-01

The application of inorganic ion exchangers and adsorbents to both waste treatment and the recovery of fission products and actinides were of primary concern at this meeting. The meeting covered the two major fields of fundamental studies and industrial applications

Radiation defects in lithium fluoride induced by heavy ions

Energy Technology Data Exchange (ETDEWEB)

Trautmann, C.; Schwartz, K.; Steckenreiter, T. [Gesellschaft fuer Schwerionenforschung mbH, Darmstadt (Germany); Costantini, J.M. [CEA Centre d`Etudes de Bruyeres-le-Chatel, 91 (France). DPTA/SPMC; Toulemonde, M. [Centre Interdisciplinaire de Recherches avec les Ions Lourds (CIRIL), 14 - Caen (France)

1998-07-01

Single crystals of lithium fluoride were irradiated with various species of heavy ions in the energy regime between 1 and 30 MeV/u. The induced radiation damage was studied with techniques such as optical absorption spectroscopy, small-angle x-ray scattering, chemical etching and profilometry, complemented by annealing experiments. Clear evidence is given for a complex track structure and defect morphology. Single defects such as F-centers are produced in a large halo of several tens of nanometers around the ion trajectory. The defect creation in this zone is similar to that under conventional radiation. For heavy ions above a critical energy loss of 10 keV/nm, new effects occur within a very small core region of 2-4 nm in diameter. The damage in this zone is responsible for chemical etching and for a characteristic anisotropic x-ray scattering. It is assumed that in this core, complex defect aggregates (e.g., cluster of color centers, molecular anions and vacancies) are created. Their formation is only slightly influenced by the irradiation temperature and takes place even at 15 K where diffusion processes of primary defects are frozen. Furthermore, irradiation with heavy ions leads to pronounced swelling effects which can be related to an intermediate zone of around 10 nm around the ion path. (orig.) 40 refs.

Analysis of the interface zone between the glass ionomer and enamel and dentin of primary molars

Directory of Open Access Journals (Sweden)

Petrović Bojan B.

2008-01-01

Full Text Available Restoring carious teeth is one of the major dental treatment needs of young children. Conventional glassionomer materials are frequently used as filling materials in contemporary pediatric dentistry. The objective of this study was to evaluate the restorative and prophylactic efficacy of the newly marketed glass ionomer, Fuji Triage (GC, Tokyo, Japan, through morphological analysis of the interface zone between the material and the enamel and the dentin of primary molars and to determine the extent of the ion exchange at the interface zone. The sample consisted of 5 extracted intact first primary molars in which glassionomer had been used as filling material after standard class I cavity preparation. The material was placed according to the manufacturer's instructions and teeth were placed into dionised water prior to experiment. Six sections of each tooth had been examined using scanning electron microscopic and electron dispersive spectroscopic techniques (SEM/EDS. The parameters for evaluation included: morphological characteristics of the interface zone and the extent of the ion exchange between the material and the tooth structures Results were statistically analyzed using descriptive statistical methods. SEM/EDS analysis revealed the presence of the chemical bonding between the glass ionomer and the enamel and dentin, 5 and 15 μm in width, respectively. Ion exchange has not been detected in the enamel at the EDS sensitivity level. Strontium and fluor penetration has been detected in dentin. The ion exchange and chemical bonding formation justify the usage of the conventional glass ionomer materials for restorative procedures in primary molars.

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....

Study of the secondary electron emission during bombardment of metal targets by positive D{sup +} and D{sub 2}{sup +} ions (1960); Etude de l'emission secondaire d'electrons au cours du bombardement de cibles metalliques par des ions positifs D{sup +} et D{sub 2}{sup +} (1960)

Energy Technology Data Exchange (ETDEWEB)

Leroy, J [Commissariat a l' Energie Atomique, Saclay (France).Centre d' Etudes Nucleaires; Prelec, K [Institut Rudjer Boskovic, Zagreb (Croatia)

1960-07-01

The secondary electron yield {gamma}-bar due to primary positive ions D{sup +} and D{sup +}{sub 2} has been measured in the 70 keV to 300 keV ion energy range. Several metallic targets have been used. The variation of this yield with the angle of incidence is proportional to sec {theta} where {theta} is the angle between the beam of primary ions and the normal to the target surface. The values {gamma}-bar decrease for increasing energy ions. At a given energy all the targets tried gave approximately the same electron yield. (author) [French] Le facteur d'emission secondaire a ete mesure pour des ions positifs D{sup +} et D{sup +}{sub 2} ayant une energie comprise entre 70 keV et 300 keV, sur differentes cibles metalliques. La variation de ce facteur avec l'angle d'incidence suit une loi de la forme {gamma}{sub 0} sec {theta}, {theta} etant l'angle entre le faisceau et la normale a la cible. Les valeurs de {gamma}-bar trouvees decroissent lorsque l'energie des ions incidents augmente, mais sont assez voisines les unes des autres, a une energie donnee, pour les differentes cibles essayees. (auteur)

Therapeutic approaches to genetic ion channelopathies and perspectives in drug discovery

Directory of Open Access Journals (Sweden)

Paola eImbrici

2016-05-01

Full Text Available In the human genome more than 400 genes encode ion channels, which are transmembrane proteins mediating ion fluxes across membranes. Being expressed in all cell types, they are involved in almost all physiological processes, including sense perception, neurotransmission, muscle contraction, secretion, immune response, cell proliferation and differentiation. Due to the widespread tissue distribution of ion channels and their physiological functions, mutations in genes encoding ion channel subunits, or their interacting proteins, are responsible for inherited ion channelopathies. These diseases can range from common to very rare disorders and their severity can be mild, disabling, or life-threatening. In spite of this, ion channels are the primary target of only about 5% of the marketed drugs suggesting their potential in drug discovery. The current review summarizes the therapeutic management of the principal ion channelopathies of central and peripheral nervous system, heart, kidney, bone, skeletal muscle and pancreas, resulting from mutations in calcium, sodium, potassium and chloride ion channels. For most channelopathies the therapy is mainly empirical and symptomatic, often limited by lack of efficacy and tolerability for a significant number of patients. Other channelopathies can exploit ion channel targeted drugs, such as marketed sodium channel blockers. Developing new and more specific therapeutic approaches is therefore required. To this aim, a major advancement in the pharmacotherapy of channelopathies has been the discovery that ion channel mutations lead to change in biophysics that can in turn specifically modify the sensitivity to drugs: this opens the way to a pharmacogenetics strategy, allowing the development of a personalized therapy with increased efficacy and reduced side effects. In addition, the identification of disease modifiers in ion channelopathies appears an alternative strategy to discover novel druggable targets.

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.)

Low-altitude ion heating with downflowing and upflowing ions

Science.gov (United States)

Shen, Y.; Knudsen, D. J.; Burchill, J. K.; Howarth, A. D.; Yau, A. W.; James, G.; Miles, D.; Cogger, L. L.; Perry, G. W.

2017-12-01

Mechanisms that energize ions at the initial stage of ion upflow are still not well understood. We statistically investigate ionospheric ion energization and field-aligned motion at very low altitudes (330-730 km) using simultaneous plasma, magnetic field, wave electric field and optical data from the e-POP satellite. The high-time-resolution (10 ms) dataset enables us to study the micro-structures of ion heating and field-aligned ion motion. The ion temperature and field-aligned bulk flow velocity are derived from 2-D ion distribution functions measured by the SEI instrument. From March 2015 to March 2016, we've found 17 orbits (in total 24 ion heating periods) with clear ion heating signatures passing across the dayside cleft or the nightside auroral regions. Most of these events have consistent ion heating and flow velocity characteristics observed from both the SEI and IRM instruments. The perpendicular ion temperature goes up to 4.5 eV within a 2 km-wide region in some cases, in which the Radio Receiver Instrument (RRI) sees broadband extremely low frequency (BBELF) waves, demonstrating significant wave-ion heating down to as low as 350 km. The e-POP Fast Auroral Imager (FAI) and Magnetic Field (MGF) instruments show that many events are associated with active aurora and are within downward current regions. Contrary to what would be expected from mirror-force acceleration of heated ions, the majority of these heating events (17 out of 24) are associated with the core ion downflow rather than upflow. These statistical results provide us with new sights into ion heating and field-aligned flow processes at very low altitudes.