WorldWideScience

Sample records for theoretical relative ion

  1. Experimental Verification of a Jarzynski-Related Information-Theoretic Equality by a Single Trapped Ion

    Science.gov (United States)

    Xiong, T. P.; Yan, L. L.; Zhou, F.; Rehan, K.; Liang, D. F.; Chen, L.; Yang, W. L.; Ma, Z. H.; Feng, M.; Vedral, V.

    2018-01-01

    Most nonequilibrium processes in thermodynamics are quantified only by inequalities; however, the Jarzynski relation presents a remarkably simple and general equality relating nonequilibrium quantities with the equilibrium free energy, and this equality holds in both the classical and quantum regimes. We report a single-spin test and confirmation of the Jarzynski relation in the quantum regime using a single ultracold Ca40 + ion trapped in a harmonic potential, based on a general information-theoretic equality for a temporal evolution of the system sandwiched between two projective measurements. By considering both initially pure and mixed states, respectively, we verify, in an exact and fundamental fashion, the nonequilibrium quantum thermodynamics relevant to the mutual information and Jarzynski equality.

  2. Relative clinical effectiveness of carbon ion radiotherapy. Theoretical modelling for H and N tumours

    International Nuclear Information System (INIS)

    Antonovic, Laura; Toma-Dasu, Iuliana; Dasu, Alexandru; Furusawa, Yoshiya

    2015-01-01

    Comparison of the efficiency of photon and carbon ion radiotherapy (RT) administered with the same number of fractions might be of limited clinical interest, since a wide range of fractionation patterns are used clinically today. Due to advanced photon treatment techniques, hypofractionation is becoming increasingly accepted for prostate and lung tumours, whereas patients with head and neck tumours still benefit from hyperfractionated treatments. In general, the number of fractions is considerably lower in carbon ion RT. A clinically relevant comparison would be between fractionation schedules that are optimal within each treatment modality category. In this in silico study, the relative clinical effectiveness (RCE) of carbon ions was investigated for human salivary gland tumours, assuming various radiation sensitivities related to their oxygenation. The results indicate that, for hypoxic tumours in the absence of reoxygenation, the RCE (defined as the ratio of D 50 for photons to carbon ions) ranges from 3.5 to 5.7, corresponding to carbon ion treatments given in 36 and 3 fractions, respectively, and 30 fractions for photons. Assuming that interfraction local oxygenation changes take place, results for RCE are lower than that for an oxic tumour if only a few fractions of carbon ions are used. If the carbon ion treatment is given in more than 12 fractions, the RCE is larger for the hypoxic than for the well-oxygenated tumour. In conclusion, this study showed that in silico modelling enables the study of a wide range of factors in the clinical considerations and could be an important step towards individualisation of RT treatments. (author)

  3. A simple theoretical approach to determine relative ion yield (RIY) in glow discharge mass spectrometry (GDMS)

    International Nuclear Information System (INIS)

    Born, Sabine; Matsunami, Noriaki

    2000-01-01

    Direct current glow discharge mass spectrometry (dc-GDMS) has been applied to detect impurities in metals. The aim of this study is to understand quantitatively the processes taking place in GDMS and establish a model to calculate the relative ion yield (RIY), which is inversely proportional to the relative sensitivity factor (RSF), in order to achieve better agreement between the calculated and the experimental RIYs. A comparison is made between the calculated RIY of the present model and the experimental RIY, and also with other models. (author)

  4. Ultrarelativistic heavy ion collisions Theoretical overview

    International Nuclear Information System (INIS)

    Blaizot, Jean-Paul

    2006-01-01

    This is a short review of some theoretical aspects of the physics of ultra-relativistic heavy ion collisions. I review the main properties of the QCD phase diagram and recent developments in the physics of high gluon densities in the hadronic wavefunctions at high energy. Then I comment salient results obtained at RHIC

  5. RELATIVISTIC HEAVY ION PHYSICS: A THEORETICAL OVERVIEW.

    Energy Technology Data Exchange (ETDEWEB)

    KHARZEEV,D.

    2004-03-28

    This is a mini-review of recent theoretical work in the field of relativistic heavy ion physics. The following topics are discussed initial conditions and the Color Glass Condensate; approach to thermalization and the hydrodynamic evolution; hard probes and the properties of the Quark-Gluon Plasma. Some of the unsolved problems and potentially promising directions for future research are listed as well.

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

    Science.gov (United States)

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

    2009-11-01

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

  7. Theoretical considerations on the performance of negative sputter ion sources

    International Nuclear Information System (INIS)

    Alton, G.D.

    1981-01-01

    Theoretical analyses of experimentally observed negative ion yield data from cesium rich plasma discharge sources such as those based on the University of Aarhus source concept appear to correlate experiment and theory through surface ionization mechanisms for many species. The agreement between experiment and theory is rather remarkable considering the idealistic model used. A few atomic species appear to overproduce relative to the simple theoretical model. These deviations suggest that still other mechanisms may be important for certain elements such as the affinity level mechanism recently reported

  8. Recent progress in theoretical and computational investigations of Li-ion battery materials and electrolytes.

    Science.gov (United States)

    Bhatt, Mahesh Datt; O'Dwyer, Colm

    2015-02-21

    There is an increasing worldwide demand for high energy density batteries. In recent years, rechargeable Li-ion batteries have become important power sources, and their performance gains are driving the adoption of electrical vehicles (EV) as viable alternatives to combustion engines. The exploration of new Li-ion battery materials is an important focus of materials scientists and computational physicists and chemists throughout the world. The practical applications of Li-ion batteries and emerging alternatives may not be limited to portable electronic devices and circumventing hurdles that include range anxiety and safety among others, to their widespread adoption in EV applications in the future requires new electrode materials and a fuller understanding of how the materials and the electrolyte chemistries behave. Since this field is advancing rapidly and attracting an increasing number of researchers, it is crucial to summarise the current progress and the key scientific challenges related to Li-ion batteries from theoretical point of view. Computational prediction of ideal compounds is the focus of several large consortia, and a leading methodology in designing materials and electrolytes optimized for function, including those for Li-ion batteries. In this Perspective, we review the key aspects of Li-ion batteries from theoretical perspectives: the working principles of Li-ion batteries, the cathodes, anodes, and electrolyte solutions that are the current state of the art, and future research directions for advanced Li-ion batteries based on computational materials and electrolyte design.

  9. LABOR RELATIONS. THEORETICAL AND METHODOLOGICAL ASPECTS

    Directory of Open Access Journals (Sweden)

    ION GLODEANU

    2014-12-01

    Full Text Available The field of labor and employment relations in industrial environments is very complex. Moreover, it is the subject of transforming complex processes. From this perspective, the study aims to present some theoretical and methodological aspects of research and analysis of enterprise as social space of labor, of relationships between employees and employers, superiors and subordinates, labor groups, employer organizations and trade unions. It also suggests possible research methods and techniques of this field defining labor market

  10. Theoretical investigation of dielectronic recombination of Sn12+ ions

    International Nuclear Information System (INIS)

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

    2011-01-01

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

  11. Theoretical and numerical study of the expansion of a laser-produced plasma: high energy ion acceleration

    International Nuclear Information System (INIS)

    Grismayer, T.

    2006-12-01

    This work is a theoretical and numerical study on the high energy ion acceleration in laser created plasma expansion. The ion beams produced on the rear side of an irradiated foil reveal some characteristics (low divergence, wide spectra) which distinguish them from the ones coming from the front side. The discovery of these beams has renewed speculation for applications such as proton-therapy or proton radiography. The ion acceleration is performed via a self-consistent electrostatic field due to the charge separation between ions and hot electrons. In the first part of this dissertation, we present the fluid theoretical model and the hybrid code which simulates the plasma expansion. The numerical simulation of a recent experience on the dynamic of the electric field by proton radiography validates the theoretical model. The second part deals with the influence of an initial ion density gradient on the acceleration efficiency. We establish a model which relates the plasma dynamic and more precisely the wave breaking of the ion flow. The numerical results which predict a strong decrease of the ion maximum energy for large gradient length are in agreement with the experimental data. The Boltzmann equilibrium for the electron assumed in the first part has been thrown back into doubt in the third part. We adopt a kinetic description for the electron. The new version of the code can measure the Boltzmann law deviation which does not strongly modify the maximum energy that can reach the ions. (author)

  12. Metal Ion Selectivity of Kojate Complexes: A Theoretical Study

    Directory of Open Access Journals (Sweden)

    Sarita Singh

    2013-01-01

    Full Text Available Density functional calculations have been performed on four-coordinate kojate complexes of selected divalent metal ions in order to determine the affinity of the metal ions for the kojate ion. The complexation reactions are characterized by high energies, showing that they are highly exothermic. It is found that Ni(II exhibits the highest affinity for the kojate ion, and this is attributed to the largest amount of charge transfer from the ligand to the metal ion. The Ni(II complex has distorted square planar structure. The HOMOs and LUMOs of the complexes are also discussed. All complexes display a strong band at ~1500 cm−1 corresponding to the stretching frequency of the weakened carbonyl bond. Comparison of the complexation energies for the two steps shows that most of the complexation energy is realized in the first step. The energy released in the second step is about one-third that of the first step.

  13. Electron excitation collision strengths for positive atomic ions: a collection of theoretical data

    Energy Technology Data Exchange (ETDEWEB)

    Merts, A.L.; Mann, J.B.; Robb, W.D.; Magee, N.H. Jr.

    1980-03-01

    This report contains data on theoretical and experimental cross sections for electron impact excitation of positive atomic ions. It is an updated and corrected version of a preliminary manuscript which was used during an Atomic Data Workshop on Electron Excitation of Ions held at Los Alamos in November 1978. The current status of quantitative knowledge of collisional excitation collision strengths is shown for highly stripped ions where configuration mixing, relativistic and resonance effects may be important. The results show a reasonably satisfactory state for first-row isoelectronic ions and indicate that a considerable amount of work remains to be done for second-row and heavier ions.

  14. Theoretical investigation of electron-positive ion/atom interactions

    International Nuclear Information System (INIS)

    Msezane, A.Z.

    1992-01-01

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

  15. Ion bombardment simulation: a review related to fusion radiation damage

    International Nuclear Information System (INIS)

    Brimhall, J.L.

    1975-01-01

    Prime emphasis is given to reviewing the ion bombardment data on the refractory metals molybdenum, niobium and vanadium which have been proposed for use in advanced fusion devices. The temperature and dose dependence of the void parameters are correlated among these metals. The effect of helium and hydrogen gas on the void parameters is also included. The similarities and differences of the response of these materials to high dose, high temperature radiation damage are evaluated. Comparisons are made with results obtained from stainless steel and nickel base alloys. The ion bombardment data is then compared and correlated, as far as possible, with existing neutron data on the refractory metals. The theoretically calculated damage state produced by neutrons and ions is also briefly discussed and compared to experimental data wherever possible. The advantages and limitations of ion simulation in relation to fusion radiation damage are finally summarized

  16. Theoretical prediction of ion conductivity in solid state HfO2

    Science.gov (United States)

    Zhang, Wei; Chen, Wen-Zhou; Sun, Jiu-Yu; Jiang, Zhen-Yi

    2013-01-01

    A theoretical prediction of ion conductivity for solid state HfO2 is carried out in analogy to ZrO2 based on the density functional calculation. Geometric and electronic structures of pure bulks exhibit similarity for the two materials. Negative formation enthalpy and negative vacancy formation energy are found for YSH (yttria-stabilized hafnia) and YSZ (yttria-stabilized zirconia), suggesting the stability of both materials. Low activation energies (below 0.7 eV) of diffusion are found in both materials, and YSH's is a little higher than that of YSZ. In addition, for both HfO2 and ZrO2, the supercells with native oxygen vacancies are also studied. The so-called defect states are observed in the supercells with neutral and +1 charge native vacancy but not in the +2 charge one. It can give an explanation to the relatively lower activation energies of yttria-doped oxides and +2 charge vacancy supercells. A brief discussion is presented to explain the different YSH ion conductivities in the experiment and obtained by us, and we attribute this to the different ion vibrations at different temperatures.

  17. Theoretical physics 4 special theory of relativity

    CERN Document Server

    Nolting, Wolfgang

    2017-01-01

    This concise textbook offers a clear and comprehensive introduction to special relativity, one of the core components of undergraduate physics courses. It follows on naturally from the previous volumes in this series, thus developing the relativistic expansion of classical mechanics and electrodynamics. The first part of the book introduces Lorentz transformations, time dilation, length contraction and Minkowski diagrams. More complex themes are covered in the second part of the book, which describes the four-dimensional covariant formulation for classical mechanics and electrodynamics, including discussion of Maxwell’s equations, the Lorentz force and the covariant Lagrangian formulation. Ideally suited to undergraduate students with some grounding in classical mechanics and electrodynamics, the book is enhanced throughout with learning features such as boxed inserts and chapter summaries, with key mathematical derivations highlighted to aid understanding. The text is supported by numerous worked examples ...

  18. Theoretical and experimental evaluation of the low m/z transmission of an electrodynamic ion funnel

    Science.gov (United States)

    Page, Jason S.; Tolmachev, Aleksey V.; Tang, Keqi; Smith, Richard D.

    2007-01-01

    The transmission of ions at low m/z can be either necessary for an application or problematic (e.g. when large numbers of low m/z ions consume a large fraction of an ion trap’s capacity). The low m/z ion transmission limit of an electrodynamic ion funnel has been characterized using both experimental and theoretical approaches. A theoretical model is developed based on a series of infinite wire conductors that represent the ring electrodes of the ion funnel. Mathematical relationships for both low and high m/z cutoffs of the idealized two-dimensional system are derived. The low m/z cutoff is also evaluated through a series of experiments that show it is influenced by both the RF frequency and the DC electric field gradient. However, unlike multipole ion guides, there is no marked dependence of the low m/z cutoff on the RF amplitude, in agreement with theoretical results. With this new understanding, ion funnels can be designed and configured to better match the m/z range requirements for various applications. PMID:16503158

  19. Theoretical and experimental evaluation of the low m/z transmission of an electrodynamic ion funnel

    International Nuclear Information System (INIS)

    Page, Jason S.; Tolmachev, Aleksey V.; Tang, Keqi; Smith, Richard D.

    2006-01-01

    The transmission of ions at low m/z can be either necessary for an application or problematic (e.g. when large numbers of low m/z ions consume a large fraction of an ion trap's capacity). The low m/z ion transmission limit of an electrodynamic ion funnel has been characterized using both experimental and theoretical approaches. A theoretical model is developed based on a series of infinite wire conductors that represent the ring electrodes of the ion funnel. Mathematical relationships for both low and high m/z cutoffs of the idealized two-dimensional system are derived. The low m/z cutoff is also evaluated through a series of experiments that show it is influenced by both the RF frequency and the DC electric field gradient. However, unlike multipole ion guides, there is no marked dependence of the low m/z cutoff on the RF amplitude, in agreement with theoretical results. With this new understanding, ion funnels can be designed and configured to better match the m/z range requirements for various applications

  20. Ion transport through biological membranes an integrated theoretical approach

    CERN Document Server

    Mackey, Michael C

    1975-01-01

    This book illustrates some of the ways physics and mathematics have been, and are being, used to elucidate the underlying mechan­ isms of passive ion movement through biological membranes in general, and the membranes of excltable cells in particular. I have made no effort to be comprehensive in my introduction of biological material and the reader interested in a brief account of single cell electro­ physlology from a physically-oriented biologists viewpoint will find the chapters by Woodbury (1965) an excellent introduction. Part I is introductory in nature, exploring the basic electrical properties of inexcitable and excitable cell plasma membranes. Cable theory is utilized to illustrate the function of the non-decrementing action potential as a signaling mechanism for the long range trans­ mission of information in the nervous system, and to gain some in­ sight into the gross behaviour of neurons. The detailed analysis of Hodgkin and Huxley on the squid giant axon membrane ionic conductance properties...

  1. Can metal ion complexes be used as polarizing agents for solution DNP? A theoretical discussion.

    Science.gov (United States)

    Luchinat, Claudio; Parigi, Giacomo; Ravera, Enrico

    2014-04-01

    Dynamic nuclear polarization (DNP) can be used to dramatically increase the NMR signal intensities in solutions and solids. DNP is usually performed using nitroxide radicals as polarizing agents, characterized by sharp EPR lines, fast rotation, fast diffusion, and favorable distribution of the unpaired electron. These features make the nitroxide radicals ideally suited for solution DNP. Here, we report some theoretical considerations on the different behavior of some inorganic compounds with respect to nitroxide radicals. The relaxation profiles of slow relaxing paramagnetic metal aqua ions [copper(II), manganese(II), gadolinium(III) and oxovanadium(IV)] and complexes have been re-analyzed according to the standard theory for dipolar and contact relaxation, in order to estimate the coupling factor responsible for the maximum DNP enhancement that can be achieved in solution and its dependence on field, temperature and relative importance of outer-sphere versus inner-sphere relaxation.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-03-14

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

  3. STUDY OF THE SEMI-THEORETICAL RELATION OF THE ...

    African Journals Online (AJOL)

    ABSTRACT. This study has for objective to study the theoretical relation of the hydraulic jump by sill, evolving in an U-shaped channel, with a rough bed. Functional relations, in non- dimensional form, relating the jump characteristics, seeming the effect of the bed's roughness, are obtained. A comparative study with the ...

  4. Double Exponential Relativity Theory Coupled Theoretically with Quantum Theory?

    International Nuclear Information System (INIS)

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

    2007-01-01

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

  5. Role of metal ions in the destruction of TATP: theoretical considerations.

    Science.gov (United States)

    Dubnikova, Faina; Kosloff, Ronnie; Oxley, Jimmie C; Smith, James L; Zeiri, Yehuda

    2011-09-29

    The safe decomposition of solid TATP (triacetone triperoxide) explosive is examined theoretically. The route to destruction starts with formation of metal complexes between a metal ion and the TATP molecule. The second step is decomposition of the molecules into stable final products. We examined the structure and stability of both metal ion (including Na(+), Cu(+), Cu(2+), Co(2+), and Zn(2+)) and proton complexes with TATP using quantum chemical calculations at the DFT-PBE0 level of theory. In addition, for each ion complex, we determined the initial steps in the pathway to decomposition together with the associated transition states. We find that the products of decomposition, in particular, acetone, are also stabilized by ion metal complexes. In agreement with experiment, we find the best candidates for metal ion induced decomposition are Cu(2+) and Zn(2+).

  6. Role of information theoretic uncertainty relations in quantum theory

    International Nuclear Information System (INIS)

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

    2015-01-01

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

  7. Theoretical and experimental study of modes associated to ion cyclotron heating on TFR

    International Nuclear Information System (INIS)

    Pignol, L.

    1985-05-01

    In this work, the ion cyclotron wave evolution is followed thanks to a coherent scattering device using carbon dioxide laser radiation. A theoretical part presents the dispersion equation that obey the waves excited in the plasma by antenna emitting ion cyclotron frequency. Then measurements given by the diagnostic are given. Fast and slow waves evidenced theoretically, are experimentally observed. Two simple theoretical models allow to extract physical quantities characteristics of the two modes. These two modes are followed along the radial coordinate of the tore and their behavior through the hybrid curve is studied. measured spectra shape is shown to confirm the described numerical code validity. Time study of the slow wave shows of internal relaxation phenomenon of plasma [fr

  8. Theoretical and experimental analysis of rare earth whispering gallery mode laser relative intensity noise

    Science.gov (United States)

    Ceppe, Jean-Baptiste; Mortier, Michel; Féron, Patrice; Dumeige, Yannick

    2017-12-01

    The relative intensity noise (RIN) of a solid state whispering-gallery-mode class-B laser is studied both theoretically and experimentally under different pumping regimes. In particular, we show that harmonics of the spiking frequency are observed in the RIN spectrum. A rate equation model including Langevin forces and the nonlinear coupling between inverted ion and photon number fluctuations has been developed to reproduce the experimental results and to extract relevant physical parameters from the fitting of the RIN spectrum.

  9. How public relations works: theoretical roots and public relations perspectives

    NARCIS (Netherlands)

    Ihlen, Ø.; van Ruler, B.

    2007-01-01

    Public relations is often studied from a managerial, instrumental perspective or a psychological, behavioral perspective. To understand the role of public relations in building trust or mistrust and to develop - or destroy - a license to operate, it needs also to be studied as a social phenomenon.

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

    Science.gov (United States)

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

    2018-02-01

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

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

    International Nuclear Information System (INIS)

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

    1991-12-01

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

  12. Rational Design of Lanthanoid Single-Ion Magnets: Predictive Power of the Theoretical Models.

    Science.gov (United States)

    Baldoví, José J; Duan, Yan; Morales, Roser; Gaita-Ariño, Alejandro; Ruiz, Eliseo; Coronado, Eugenio

    2016-09-12

    We report two new single-ion magnets (SIMs) of a family of oxydiacetate lanthanide complexes with D3 symmetry to test the predictive capabilities of complete active space ab initio methods (CASSCF and CASPT2) and the semiempirical radial effective charge (REC) model. Comparison of the theoretical predictions of the energy levels, wave functions and magnetic properties with detailed spectroscopic and magnetic characterisation is used to critically discuss the limitations of these theoretical approaches. The need for spectroscopic information for a reliable description of the properties of lanthanide SIMs is emphasised. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Fluorescent sensors based on BODIPY derivatives for aluminium ion recognition: an experimental and theoretical study.

    Science.gov (United States)

    Keawwangchai, Tasawan; Morakot, Nongnit; Wanno, Banchob

    2013-03-01

    Two BODIPY derivative sensors for metal ion recognition containing 10-(4-hydroxyphenyl) (L1) and 10-(3,4-dihydroxyphenyl) (L2) were synthesized in a one-pot reaction of benzaldehyde derivative and 2,4-dimethylpyrrole in the presence of trifluoroacetic acid as catalyst. The binding abilities between these sensors and 50 equivalents of Na(+), K(+), Ag(+), Ca(2+), Fe(2+), Co(2+), Ni(2+), Cu(2+), Zn(2+), Cd(2+), Pb(2+), Al(3+) and Cr(3+) ions were studied using UV-vis and fluorescent spectroscopic methods. Of all the metal ions tested, Al(3+) ion showed the greatest decrease in intensity in the spectra of the sensors, and therefore Al(3+) ion forms the strongest complex. The binding abilities of BODIPY receptors with Na(+), Ag(+), Ca(2+), Co(2+), Ni(2+), Cu(2+), Zn(2+) and Al(3+) ions were also investigated using density functional theory (DFT) calculations at B3LYP/LanL2DZ theoretical level. The calculated results point to the same conclusion. DFT calculations also provided the HOMO-LUMO energy levels, which can explain the spectrum change upon complexation.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1999-06-01

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

  15. Theoretical study of the mode of the mass-selective nonstable axial output ions from the nonlinear trap

    International Nuclear Information System (INIS)

    Sudakov, M.Yu.

    2000-01-01

    One studied theoretically the mode of mass-selective unstable output of ions from three-dimensional quadrupole ion trap. One developed a method represent coordinates of ions per one period of supplying HF voltage with regard to nonlinear distortions of quadrupole potential. One derived equation for an envelope of ion oscillations in the form of motion equation of mass point in the efficient force field. One explained the effect of output delay of ions at presence of the field negative even harmonics. One proved that the positive even distortions of quadrupole potential favored realization of that mode and studied the dynamics of ions in the course of output [ru

  16. Comprehensive theoretical analysis and experimental exploration of ultrafast microchip-based high-field asymmetric ion mobility spectrometry (FAIMS) technique.

    Science.gov (United States)

    Li, Lingfeng; Wang, Yonghuan; Chen, Chilai; Wang, Xiaozhi; Luo, Jikui

    2015-06-01

    High-field asymmetric ion mobility spectrometry (FAIMS) has become an efficient technique for separation and characterization of gas-phase ions at ambient pressure, which utilizes the mobility differences of ions at high and low fields. Micro FAIMS devices made by micro-electromechanical system technology have small gaps of the channels, high electric field and good installation precision, as thus they have received great attentions. However, the disadvantage of relatively low resolution limits their applications in some areas. In this study, theoretical analysis and experimental exploration were carried out to overcome the disadvantage. Multiple scans, characteristic decline curves of ion transmission and pattern recognitions were proposed to improve the performance of the microchip-based FAIMS. The results showed that although micro FAIMS instruments as a standalone chemical analyzer suffer from low resolution, by using one or more of the methods proposed, they can identify chemicals precisely and provide quantitative analysis with low detection limit in some applications. Copyright © 2015 John Wiley & Sons, Ltd. Copyright © 2015 John Wiley & Sons, Ltd.

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

    Czech Academy of Sciences Publication Activity Database

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

    2017-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-11-05

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

  19. Theoretical study of the dielectronic recombination process of Li-like Xe51+ ions

    Science.gov (United States)

    Dou, Lijun; Xie, Luyou; Zhang, Denghong; Dong, Chenzhong; Wen, Weiqiang; Huang, Zhongkui; Ma, Xinwen

    2017-05-01

    The dielectronic recombination of Li-like Xe51+ (2s) ions was studied using the flexible atomic code based on the relativistic configuration interaction method. The resonance energies, radiative and autoionization rates, and resonance strengths were calculated systematically for the doubly excited states (2p1/2nlj)J(n = 18-32) and (2p3/2n'lj)J(n' = 9-27) of Be-like Xe50+ ions. For the higher Rydberg resonance states with n ≥ 33 and n' ≥ 28, the resonance energies and strengths were obtained by extrapolation based on quantum defect theory. The theoretical rate coefficients, covering the center-of-mass energy range 0-505 eV, are in a better agreement with the experimental results measured at the heavy-ion storage ring ESR than the Multi-Configuration Dirac-Fock calculations, especially at the resonance energy range close to the series limits. Contribution to the Topical Issue: "Atomic and Molecular Data and their Applications", edited by Gordon W.F. Drake, Jung-Sik Yoon, Daiji Kato, Grzegorz Karwasz.

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

    International Nuclear Information System (INIS)

    Abdul Al, Saleh Nabhan

    2000-01-01

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

  1. Improvements in or relating to ion sources

    International Nuclear Information System (INIS)

    Clampitt, R.; Jefferies, D.K.

    1980-01-01

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

  2. Understanding the bonding nature of uranyl ion and functionalized graphene: a theoretical study.

    Science.gov (United States)

    Wu, Qun-Yan; Lan, Jian-Hui; Wang, Cong-Zhi; Xiao, Cheng-Liang; Zhao, Yu-Liang; Wei, Yue-Zhou; Chai, Zhi-Fang; Shi, Wei-Qun

    2014-03-20

    Studying the bonding nature of uranyl ion and graphene oxide (GO) is very important for understanding the mechanism of the removal of uranium from radioactive wastewater with GO-based materials. We have optimized 22 complexes between uranyl ion and GO applying density functional theory (DFT) combined with quasi-relativistic small-core pseudopotentials. The studied oxygen-containing functional groups include hydroxyl, carboxyl, amido, and dimethylformamide. It is observed that the distances between uranium atoms and oxygen atoms of GO (U-OG) are shorter in the anionic GO complexes (uranyl/GO(-/2-)) compared to the neutral GO ones (uranyl/GO). The formation of hydrogen bonds in the uranyl/GO(-/2-) complexes can enhance the binding ability of anionic GO toward uranyl ions. Furthermore, the thermodynamic calculations show that the changes of the Gibbs free energies in solution are relatively more negative for complexation reactions concerning the hydroxyl and carboxyl functionalized anionic GO complexes. Therefore, both the geometries and thermodynamic energies indicate that the binding abilities of uranyl ions toward GO modified by hydroxyl and carboxyl groups are much stronger compared to those by amido and dimethylformamide groups. This study can provide insights for designing new nanomaterials that can efficiently remove radionuclides from radioactive wastewater.

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

    International Nuclear Information System (INIS)

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

    2016-01-01

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

  4. Information-theoretic measures of hydrogen-like ions in weakly coupled Debye plasmas

    Science.gov (United States)

    Zan, Li Rong; Jiao, Li Guang; Ma, Jia; Ho, Yew Kam

    2017-12-01

    Recent development of information theory provides researchers an alternative and useful tool to quantitatively investigate the variation of the electronic structure when atoms interact with the external environment. In this work, we make systematic studies on the information-theoretic measures for hydrogen-like ions immersed in weakly coupled plasmas modeled by Debye-Hückel potential. Shannon entropy, Fisher information, and Fisher-Shannon complexity in both position and momentum spaces are quantified in high accuracy for the hydrogen atom in a large number of stationary states. The plasma screening effect on embedded atoms can significantly affect the electronic density distributions, in both conjugate spaces, and it is quantified by the variation of information quantities. It is shown that the composite quantities (the Shannon entropy sum and the Fisher information product in combined spaces and Fisher-Shannon complexity in individual space) give a more comprehensive description of the atomic structure information than single ones. The nodes of wave functions play a significant role in the changes of composite information quantities caused by plasmas. With the continuously increasing screening strength, all composite quantities in circular states increase monotonously, while in higher-lying excited states where nodal structures exist, they first decrease to a minimum and then increase rapidly before the bound state approaches the continuum limit. The minimum represents the most reduction of uncertainty properties of the atom in plasmas. The lower bounds for the uncertainty product of the system based on composite information quantities are discussed. Our research presents a comprehensive survey in the investigation of information-theoretic measures for simple atoms embedded in Debye model plasmas.

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

    Science.gov (United States)

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

    2018-02-21

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

  6. Theoretical prediction of fracture conditions for delithiation in silicon anode of lithium ion battery

    Science.gov (United States)

    Cho, Yong-Hee; Booh, Seongwoon; Cho, Eunseog; Lee, Hyosug; Shin, Jaikwang

    2017-10-01

    Structural instability such as fractures of a silicon anode in a lithium ion battery, intrinsically induced by the large variation of the ratio, Li/Si, upon lithiation and delithiation, limits its potential for commercial use. Here, we study mechanical properties during delithiation in lithiated silicon particles to identify the conditions under which fracture is preventing during delithiation in terms of Li contents and silicon particle sizes. We employed the first principles calculation within the density functional framework combined with the continuum based calculation for the macroscopic mechanical properties. The theoretical limit for the largest crystalline silicon particle size that can prevent fractures upon complete delithiation is ˜0.6 μm at the lithium flux per unit surface area of 5.657 × 10-2 s-1 nm out of amorphous Li3.75Si, much larger than the critical fracture size (0.15 μm) that occurs during the first lithiation of crystalline Si. Furthermore, fractures during delithiation are nearly unaffected by the silicon particle size for a residual lithium fraction larger than x ˜ 2.1 in amorphous LixSi.

  7. Theoretical Limits of Energy Density in Silicon-Carbon Composite Anode Based Lithium Ion Batteries.

    Science.gov (United States)

    Dash, Ranjan; Pannala, Sreekanth

    2016-06-17

    Silicon (Si) is under consideration as a potential next-generation anode material for the lithium ion battery (LIB). Experimental reports of up to 40% increase in energy density of Si anode based LIBs (Si-LIBs) have been reported in literature. However, this increase in energy density is achieved when the Si-LIB is allowed to swell (volumetrically expand) more than graphite based LIB (graphite-LIB) and beyond practical limits. The volume expansion of LIB electrodes should be negligible for applications such as automotive or mobile devices. We determine the theoretical bounds of Si composition in a Si-carbon composite (SCC) based anode to maximize the volumetric energy density of a LIB by constraining the external dimensions of the anode during charging. The porosity of the SCC anode is adjusted to accommodate the volume expansion during lithiation. The calculated threshold value of Si was then used to determine the possible volumetric energy densities of LIBs with SCC anode (SCC-LIBs) and the potential improvement over graphite-LIBs. The level of improvement in volumetric and gravimetric energy density of SCC-LIBs with constrained volume is predicted to be less than 10% to ensure the battery has similar power characteristics of graphite-LIBs.

  8. Theoretical prediction of fracture conditions for delithiation in silicon anode of lithium ion battery

    Directory of Open Access Journals (Sweden)

    Yong-Hee Cho

    2017-10-01

    Full Text Available Structural instability such as fractures of a silicon anode in a lithium ion battery, intrinsically induced by the large variation of the ratio, Li/Si, upon lithiation and delithiation, limits its potential for commercial use. Here, we study mechanical properties during delithiation in lithiated silicon particles to identify the conditions under which fracture is preventing during delithiation in terms of Li contents and silicon particle sizes. We employed the first principles calculation within the density functional framework combined with the continuum based calculation for the macroscopic mechanical properties. The theoretical limit for the largest crystalline silicon particle size that can prevent fractures upon complete delithiation is ∼0.6 μm at the lithium flux per unit surface area of 5.657 × 10−2 s−1 nm out of amorphous Li3.75Si, much larger than the critical fracture size (0.15 μm that occurs during the first lithiation of crystalline Si. Furthermore, fractures during delithiation are nearly unaffected by the silicon particle size for a residual lithium fraction larger than x ∼ 2.1 in amorphous LixSi.

  9. Guided ion beam and theoretical studies of the bond energy of SmS.

    Science.gov (United States)

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

    2017-12-07

    Previous work has shown that atomic samarium cations react with carbonyl sulfide to form SmS + + CO in an exothermic and barrierless process. To characterize this reaction further, the bond energy of SmS + is determined in the present study using guided ion beam tandem mass spectrometry. Reactions of SmS + with Xe, CO, and O 2 are examined. Results for collision-induced dissociation processes with all three molecules along with the endothermicity of the SmS + + CO → Sm + + COS exchange reaction are combined to yield D 0 (Sm + -S) = 3.37 ± 0.20 eV. The CO and O 2 reactions also yield a SmSO + product, with measured endothermicities that indicate D 0 (SSm + -O) = 3.73 ± 0.16 eV and D 0 (OSm + -S) = 1.38 ± 0.27 eV. The SmS + bond energy is compared with theoretical values characterized at several levels of theory, including CCSD(T) complete basis set extrapolations using all-electron basis sets. Multireference configuration interaction calculations with explicit spin-orbit calculations along with composite thermochemistry using the Feller-Peterson-Dixon method and all-electron basis sets were also explored for SmS + , and for comparison, SmO, SmO + , and EuO.

  10. Recent radioactive ion beam program at RIKEN and related topics

    Indian Academy of Sciences (India)

    525–533. Recent radioactive ion beam program at RIKEN and related topics. AKIRA OZAWA. RIKEN, 2-1 Hirosawa, Wako-shi, Saitama 351-0198, Japan. Abstract. Recent experimental programs at RIKEN concerning RI beams are reviewed. RIKEN has the ring cyclotron (RRC) with high intense heavy-ion beams and large ...

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

    International Nuclear Information System (INIS)

    Kober, Martin

    2010-01-01

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

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

    International Nuclear Information System (INIS)

    Kam, K.F.

    1999-09-01

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

  13. Space and Time as Relations: The Theoretical Approach of Leibniz

    Directory of Open Access Journals (Sweden)

    Basil Evangelidis

    2018-04-01

    Full Text Available The epistemological rupture of Copernicus, the laws of planetary motions of Kepler, the comprehensive physical observations of Galileo and Huygens, the conception of relativity, and the physical theory of Newton were components of an extremely fertile and influential cognitive environment that prompted the restless Leibniz to shape an innovative theory of space and time. This theory expressed some of the concerns and intuitions of the scientific community of the seventeenth century, in particular the scientific group of the Academy of Sciences of Paris, but remained relatively unknown until the twentieth century. After Einstein, however, the relational theory of Leibniz gained wider respect and fame. The aim of this article is to explain how Leibniz foresaw relativity, through his critique of contemporary mechanistic philosophy.

  14. Theoretical and experimental study of the achievable separation power in resistive-glass atmospheric pressure ion mobility spectrometry.

    Science.gov (United States)

    Kwasnik, Mark; Fernández, Facundo M

    2010-07-15

    We present a detailed investigation of the performance of our previously reported nanoelectrospray high-resolution resistive-glass atmospheric pressure drift tube ion mobility spectrometer constructed with monolithic resistive-glass desolvation and drift regions. Using experimental spectral data and theoretical pulse width and diffusion variables, we compare theoretical and experimental resolving powers achievable under a variety of field strengths and ion gate pulse widths. The effects of instrumental and operational parameters on the resolution achievable in chromatographic terms are also discussed. Following characterization of the separation power of the instrument, experimental spectral peak width data is fitted by a least-squares procedure to a pre-existing semi-empirical model developed to study contributions to peak width other than initial pulse width and diffusional broadening. The model suggests possible contributions to the final measured peak width from electric field inhomogeneity and minor contributions from instrumental parameters such as anode size, anode-to-anode grid distance and drift gas flow rate. The model also reveals an unexpected ion gate width dependence on the final measured peak width that we attribute to non-ideal performance of the Bradbury-Nielsen ion gate and limitations in the design of our pulsing-electronics. Copyright 2010 John Wiley & Sons, Ltd.

  15. STUDY OF THE SEMI-THEORETICAL RELATION OF THE ...

    African Journals Online (AJOL)

    comparative avec le ressaut hydraulique en canal profilé en 'U' à fond lisse sera également proposée. Les caractéristiques adimensionnelles du ressaut, concernées par cette étude sont les suivantes : le nombre de Froude IF1; le débit relatif Q* ; la hauteur relative S = s/h1 du seuil à paroi mince ; la longueur relative Lj/h1 ...

  16. Lie-theoretic generating relations of two variable Laguerre polynomials

    International Nuclear Information System (INIS)

    Khan, Subuhi; Yasmin, Ghazala

    2002-07-01

    Generating relations involving two variable Lagneire polynonuals L n (x, y) are derived. The process involves the construction of a three dimensional Lie algebra isomorphic to special linear algebra sl(2) with the help of Weisner's method by giving suitable interpretations to the index n of the polynomials L n (x, y). (author)

  17. Theoretical and experimental study of ions focusing systems in order to improve the ions beam brightness by suppressing aberration causes

    International Nuclear Information System (INIS)

    Faure, J.

    1966-01-01

    It is shown that a beam brightness can be improved by an order of magnitude when the sources of aberrations are suppressed in the anode region source, as well as in the extraction region and in the electrostatic focusing system. A calculation was first set up to determine a simple focusing system. The aberration ratio due to this focusing system is smaller than 10 to 15 per cent. The experimental study was developed by using an ion source and its extraction system capable of producing an aberration free beam at an energy of 20 keV and an accelerating unit up to 190 keV that confirms that the qualities of a 35 mA beam produced by the said ion source are not spoiled when the beam goes through the focusing and accelerating system that was designed to be aberration free. (author) [fr

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

    International Nuclear Information System (INIS)

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

    1995-01-01

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

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

    International Nuclear Information System (INIS)

    Mehana, A.

    1993-06-01

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

  20. Theoretical and applied aerodynamics and related numerical methods

    CERN Document Server

    Chattot, J J

    2015-01-01

    This book covers classical and modern aerodynamics, theories and related numerical methods, for senior and first-year graduate engineering students, including: -The classical potential (incompressible) flow theories for low speed aerodynamics of thin airfoils and high and low aspect ratio wings. - The linearized theories for compressible subsonic and supersonic aerodynamics. - The nonlinear transonic small disturbance potential flow theory, including supercritical wing sections, the extended transonic area rule with lift effect, transonic lifting line and swept or oblique wings to minimize wave drag. Unsteady flow is also briefly discussed. Numerical simulations based on relaxation mixed-finite difference methods are presented and explained. - Boundary layer theory for all Mach number regimes and viscous/inviscid interaction procedures used in practical aerodynamics calculations. There are also four chapters covering special topics, including wind turbines and propellers, airplane design, flow analogies and h...

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

    Directory of Open Access Journals (Sweden)

    A. V. Artemyev

    2014-10-01

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

  2. Experimental and Theoretical Characterization of Negative Deuterium Ion Distributions in a Gridded Inertial-Electrostatic Confinement Device

    Science.gov (United States)

    Alderson, Eric C.

    This work extends the recent (2008) UW-Madison discovery of a substantial current of negative deuterium ions produced in an Inertial Electrostatic Confinement (IEC) fusion device. Investigation was carried out both through empirical measurement and computational modeling. Measurements of the negative ion current were performed with a compact Faraday cup mounted on motion stages to produce radial and azimuthal spatial profiles of the negative ion current density in an IEC device. The azimuthal profiles represent the first spatially resolved measurements of the shape of a 'plasma jet' produced by perturbations in the electrostatic potential at the cathode of the IEC device. Further, these measurements confirm the existence of these jets at low pressure when they are not observable by light emission. This work demonstrates that the magnitude of the negative ion current and the profile of the plasma jet are dependent on the potential and current supplied to the IEC device cathode. A comparison of the production of negative ions by a single reaction versus a chain of reactions was carried out by deriving the analog to the mean free path for a sequence of reactions. This analysis can be adapted to a variety of applications if it is useful to know the length scale of a chain of reactions occurs in. The capability to simulate the production and propagation of negative ion current was added to the UW-IEC modeling program, Volterra Integral Code for Transport in Electrostatic Reactors (VICTER). This 1D code predicts the negative ion energy spectrum at all radii in the IEC device. Comparing trends in measurements and VICTER simulations was utilized to validate elements of the VICTER code. VICTER was further utilized to understand the relative importance of the reactions that produce negative ions in an IEC device and illustrate how the energy spectrum evolves as negative ions travel through the IEC device.

  3. Theoretical study of cylindrical energy analyzers for MeV range heavy ion beam probes

    International Nuclear Information System (INIS)

    Fujisawa, A.; Hamada, Y.

    1993-07-01

    A cylindrical energy analyzer with drift spaces is shown to have a second order focusing for beam incident angle when the deflection angle is properly chosen. The analyzer has a possibility to be applied to MeV range heavy ion beam probes, and will be also available for accurate particle energy measurements in many other fields. (author)

  4. Theoretical research of electron-ion direct impact excitation cross sections for hot dense plasma

    International Nuclear Information System (INIS)

    Tian Mingfeng

    2003-01-01

    An average-atom (AA) model, Younger formula and partial wave method are employed to study the electron- ion direct impact excitation cross sections for hot dense plasma. The phenomenon of electron resonance near the excitation threshold and its mechanism are discussed. (author)

  5. Interaction of hydronium ion with dibenzo-18-crown-6: NMR, IR, and theoretical study

    Czech Academy of Sciences Publication Activity Database

    Kříž, Jaroslav; Dybal, Jiří; Makrlík, E.; Budka, J.

    2008-01-01

    Roč. 112, č. 41 (2008), s. 10236-10243 ISSN 1089-5639 R&D Projects: GA AV ČR 1ET400500402 Institutional research plan: CEZ:AV0Z40500505 Keywords : dibenzo-18-crown-6 * hydronium ion * NMR * FTIR * DFT Subject RIV: CD - Macromolecular Chemistry Impact factor: 2.871, year: 2008

  6. Theoretical progresses on electron and ion acceleration and relativistic short-pulse generation at SIOM

    International Nuclear Information System (INIS)

    Baifei Shen

    2010-01-01

    Complete text of publication follows. The triggering of wave-breaking in a three-dimensional laser plasma wake (bubble) with a nanowire is investigated. The Coulomb potential from the wire is used to disturb the wake field to initialize the wave-breaking. Controlled electron acceleration in the bubble regime is controlled by optimizing the plasma density. The origin of beam disparity in emittance and betatron oscillation orbits, in and out of the polarization plane of the drive laser of laser-plasma accelerators, is explained in terms of betatron oscillation driven by the laser field with simulation and a simple model. Proton trapping and acceleration by an electron bubble-channel structure in high-intensity laser interaction with high density plasma is investigated by using three-dimensional particle-in-cell simulations. It is shown that protons can be trapped, bunched, and efficiently accelerated for appropriate laser intensity and plasma density, and the proton acceleration is enhanced if the plasma consists mainly of heavier ions such as tritium. Theory and simulation of ion acceleration with electrostatic shock is given in detail. Electrostatic shock driven by linearly and circularly polarized laser pulse are compared. Multi stage shock acceleration for ultra thin foils is used to increase the efficiency of laser acceleration. The effect of plasma temperature of laser intensity is discussed. A sandwich target design with a thin compound ion layer between two light-ion layers and a micro-structured target design are proposed for obtaining efficiently monoenergetic heavy-ion beams. The foil thickness for light pressure acceleration is studied. Quasi-single cycle relativistic laser pulse is generated by laser-foil interaction.

  7. Theoretical and numerical study of the expansion of a laser-produced plasma: high energy ion acceleration; Etude theorique et numerique de l'expansion d'un plasma cree par laser: acceleration d'ions a haute energie

    Energy Technology Data Exchange (ETDEWEB)

    Grismayer, T

    2006-12-15

    This work is a theoretical and numerical study on the high energy ion acceleration in laser created plasma expansion. The ion beams produced on the rear side of an irradiated foil reveal some characteristics (low divergence, wide spectra) which distinguish them from the ones coming from the front side. The discovery of these beams has renewed speculation for applications such as proton-therapy or proton radiography. The ion acceleration is performed via a self-consistent electrostatic field due to the charge separation between ions and hot electrons. In the first part of this dissertation, we present the fluid theoretical model and the hybrid code which simulates the plasma expansion. The numerical simulation of a recent experience on the dynamic of the electric field by proton radiography validates the theoretical model. The second part deals with the influence of an initial ion density gradient on the acceleration efficiency. We establish a model which relates the plasma dynamic and more precisely the wave breaking of the ion flow. The numerical results which predict a strong decrease of the ion maximum energy for large gradient length are in agreement with the experimental data. The Boltzmann equilibrium for the electron assumed in the first part has been thrown back into doubt in the third part. We adopt a kinetic description for the electron. The new version of the code can measure the Boltzmann law deviation which does not strongly modify the maximum energy that can reach the ions. (author)

  8. RBE and related modeling in carbon-ion therapy

    Science.gov (United States)

    Karger, Christian P.; Peschke, Peter

    2018-01-01

    Carbon ion therapy is a promising evolving modality in radiotherapy to treat tumors that are radioresistant against photon treatments. As carbon ions are more effective in normal and tumor tissue, the relative biological effectiveness (RBE) has to be calculated by bio-mathematical models and has to be considered in the dose prescription. This review (i) introduces the concept of the RBE and its most important determinants, (ii) describes the physical and biological causes of the increased RBE for carbon ions, (iii) summarizes available RBE measurements in vitro and in vivo, and (iv) describes the concepts of the clinically applied RBE models (mixed beam model, local effect model, and microdosimetric-kinetic model), and (v) the way they are introduced into clinical application as well as (vi) their status of experimental and clinical validation, and finally (vii) summarizes the current status of the use of the RBE concept in carbon ion therapy and points out clinically relevant conclusions as well as open questions. The RBE concept has proven to be a valuable concept for dose prescription in carbon ion radiotherapy, however, different centers use different RBE models and therefore care has to be taken when transferring results from one center to another. Experimental studies significantly improve the understanding of the dependencies and limitations of RBE models in clinical application. For the future, further studies investigating quantitatively the differential effects between normal tissues and tumors are needed accompanied by clinical studies on effectiveness and toxicity.

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

    International Nuclear Information System (INIS)

    Fokin, A.B.

    1998-11-01

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

  10. Nanolesions induced by heavy ions in human tissues: Experimental and theoretical studies

    Directory of Open Access Journals (Sweden)

    Marcus Bleicher

    2012-07-01

    Full Text Available The biological effects of energetic heavy ions are attracting increasing interest for their applications in cancer therapy and protection against space radiation. The cascade of events leading to cell death or late effects starts from stochastic energy deposition on the nanometer scale and the corresponding lesions in biological molecules, primarily DNA. We have developed experimental techniques to visualize DNA nanolesions induced by heavy ions. Nanolesions appear in cells as “streaks” which can be visualized by using different DNA repair markers. We have studied the kinetics of repair of these “streaks” also with respect to the chromatin conformation. Initial steps in the modeling of the energy deposition patterns at the micrometer and nanometer scale were made with MCHIT and TRAX models, respectively.

  11. Theoretical research on charge exchange of uranum ions at thermal energies

    International Nuclear Information System (INIS)

    Bardsley, J.N.

    1975-01-01

    The cross section for resonant charge transfer in U + -U collisions is calculated as a function of the energy in the center-of-mass coordinate frame. The computed value decreases monotonically from approximately 300 A 2 at 0.025 eV to 100 A 2 at 50 eV. The latter value would be appropriate for ions of energy 100 eV moving through a gas of neutral atoms at thermal velocities

  12. Study of the semi-theoretical relation of the hydraulic jump evolving ...

    African Journals Online (AJOL)

    This study has for objective to study the theoretical relation of the hydraulic jump by sill, evolving in an U-shaped channel, with a rough bed. Functional relations, in non-dimensional form, relating the jump characteristics, seeming the effect of the bed's roughness, are obtained. A comparative study with the hydraulic jump in ...

  13. Relating drilling parameters at the bit-rock interface: theoretical and field studies

    Energy Technology Data Exchange (ETDEWEB)

    Sinkala, T. (Luleaa University of Technology, Luleaa (Sweden). Division of Mining Equipment Engineering)

    1991-01-01

    An explicit expression relating drilling parameters at the bit-rock contact is derived. The expression estimates the minimum torque, related to bit-rock contact only, required to maintain constant bit rotation. Theoretical results from the developed bit-rock contact relation agree very satisfactorily with those obtained from field tests and other previous experience. 15 refs., 8 figs., 2 tabs.

  14. Theoretical Calculation of Absolute Radii of Atoms and Ions. Part 1. The Atomic Radii

    Directory of Open Access Journals (Sweden)

    Raka Biswas

    2002-02-01

    Full Text Available Abstract. A set of theoretical atomic radii corresponding to the principal maximum in the radial distribution function, 4πr2R2 for the outermost orbital has been calculated for the ground state of 103 elements of the periodic table using Slater orbitals. The set of theoretical radii are found to reproduce the periodic law and the Lother Meyer’s atomic volume curve and reproduce the expected vertical and horizontal trend of variation in atomic size in the periodic table. The d-block and f-block contractions are distinct in the calculated sizes. The computed sizes qualitatively correlate with the absolute size dependent properties like ionization potentials and electronegativity of elements. The radii are used to calculate a number of size dependent periodic physical properties of isolated atoms viz., the diamagnetic part of the atomic susceptibility, atomic polarizability and the chemical hardness. The calculated global hardness and atomic polarizability of a number of atoms are found to be close to the available experimental values and the profiles of the physical properties computed in terms of the theoretical atomic radii exhibit their inherent periodicity. A simple method of computing the absolute size of atoms has been explored and a large body of known material has been brought together to reveal how many different properties correlate with atomic size.

  15. Theoretical study of metal ion binding in modified and natural cytosine-cytosine base pairs

    Czech Academy of Sciences Publication Activity Database

    Šebera, Jakub; Sugiyama, K.; Ono, A.; Mulder, J.; Bickelhaupt, F. M.; Tanaka, Y.; Sychrovský, Vladimír; Guerra, C. F.

    2013-01-01

    Roč. 20, č. 1 (2013), s. 39-39 ISSN 1211-5894. [Discussions in Structural Molecular Biology. Annual Meeting of the Czech Society for Structural Biology /11./. 14.03.2013-16.03.2013, Nové Hrady] R&D Projects: GA ČR GAP205/10/0228; GA ČR(CZ) GAP304/10/1951; GA TA ČR TA01011165 Institutional support: RVO:61388963 Keywords : DFT * NMR * base pair * metal-mediated Subject RIV: CF - Physical ; Theoretical Chemistry

  16. Theoretical Analysis of Potential and Current Distributions in Planar Electrodes of Lithium-ion Batteries

    International Nuclear Information System (INIS)

    Taheri, Peyman; Mansouri, Abraham; Yazdanpour, Maryam; Bahrami, Majid

    2014-01-01

    An analytical model is proposed to describe the two-dimensional distribution of potential and current in planar electrodes of pouch-type lithium-ion batteries. A concentration-independent polarization expression, obtained experimentally, is used to mimic the electrochemical performance of the battery. By numerically solving the charge balance equation on each electrode in conjugation with the polarization expression, the battery behavior during constant-current discharge processes is simulated. Our numerical simulations show that reaction current between the electrodes remains approximately uniform during most of the discharge process, in particular, when depth-of-discharge varies from 5% to 85%. This observation suggests to simplify the electrochemical behavior of the battery such that the charge balance equation on each electrode can be solved analytically to obtain closed-form solutions for potential and current density distributions. The analytical model shows fair agreement with numerical data at modest computational cost. The model is applicable for both charge and discharge processes, and its application is demonstrated for a prismatic 20 Ah nickel-manganese-cobalt lithium-ion battery during discharge processes

  17. Structure and electrochemical properties for complexes of nitrocompounds with inorganic ions: A theoretical approach.

    Science.gov (United States)

    Sviatenko, Liudmyla K; Gorb, Leonid; Hill, Frances C; Leszczynska, Danuta; Leszczynski, Jerzy

    2016-05-15

    Reduction and oxidation (redox) reactions are widely used for removal of nitrocompounds from contaminated soil and water. Structures and redox properties for complexes of nitrocompounds, such as 2,4,6-trinitrotoluene (TNT), 2,4-dinitrotoluene (DNT), 2,4-dinitroanisole (DNAN), and 5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one (NTO), with common inorganic ions (Na(+) , Cl(-) , NO3-) were investigated at the SMD(Pauling)/PCM(Pauling)/MPWB1K/TZVP level of theory. Atoms in molecules (AIM) theory was applied to analyze the topological properties of the bond critical points involved in the interactions between the nitrocompounds and the ions. Topological analyses show that intermolecular interactions of the types O(N)…Na(+) , C-H…Cl(-) ( ONO2-), and C…Cl(-) ( ONO2-) may be discussed as noncovalent closed-shell interactions, while N-H···Cl(-) ( ONO2-) hydrogen bonds are partially covalent in nature. Complexation causes significant decrease of redox activity of the nitrocompounds. Analysis of the reduction potentials of the complexes obtained through application of the Pourbaix diagram of an iron/water system revealed that sodium complexes of NTO might be reduced by metallic iron. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  18. Theoretical study of magnetic pattern replication by He+ ion irradiation through stencil masks

    International Nuclear Information System (INIS)

    Devolder, T.; Chappert, C.; Bernas, H.

    2002-01-01

    We have developed an irradiation technique that allows us to tune the magnetic properties of Co/Pt multilayers without affecting their roughness. The planarity and the ability to independently control nanostructure size and coercivity make our technique very appealing for magnetic recording. We study the irradiation-induced 1:1 replication of features drilled in a stencil mask. Both the 'gap' G between the magnetic film and the mask, and the aspect ratio (AR) of the mask features are analyzed, in view of the ion straggling in the mask resulting in collateral damages. Optimal gap is such that D<< G<< D/tan(α) (typically 0.1<< G<<25 μm), where the D is the feature size. The replication quality is best for AR≥3. Since the allowed gap interval is wide, we anticipate that mask fast positioning will be possible for the applications to magnetic recording

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

    Indian Academy of Sciences (India)

    Abstract. Calculations for the relative width ´∆ω ω0µ as a function of refractive index and relative radius of the photonic band gap for the fcc closed packed 3-D dielectric microstructure are reported and comparison of experimental observations and theoretical predictions are given. This work is useful for the understanding of ...

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

    Indian Academy of Sciences (India)

    Calculations for the relative width (/0) as a function of refractive index and relative radius of the photonic band gap for the fcc closed packed 3-D dielectric microstructure are reported and comparison of experimental observations and theoretical predictions are given. This work is useful for the understanding of photonic ...

  1. Theoretical photoionization spectra in the UV photon energy range for a Mg-like Al+ ion

    International Nuclear Information System (INIS)

    Kim, Dae-Soung; Kim, Young Soon

    2008-01-01

    In the present work, we report the photoionization cross sections of the Al + ion calculated for the photon energy range 20-26 eV and 30-50 eV. We have expanded our previous calculation (2007 J. Phys. Soc. Japan 76 014302) with an optimized admixture of the initial ground state 3s 21 S and exited states 3s3p 1,3 P, 3s3d 1,3 D and 3s4s 1,3 S, and obtained significantly improved predictions for the main background and autoionizing resonance structures of the reported experimental spectra. The absolute measurements of the photoionization cross sections of the Al + ion in these energy ranges have been performed by West et al (2001 Phys. Rev. A 63 052719), and they reported that the prominent peaks around 21 eV were attributed to the effects of the significant influence of the small fraction of the fourth-order radiation with energies around 84 eV from the synchrotron source. In our previous work, the main shape for these cross sections was calculated assuming an admixture of initial 3s 21 S and 3s3p 3 P states, only with a rough overall estimate for the experimental spectra in the photon energy range 20-26 eV, and without these peaks around 21 eV. The report of the experimental assignment attributes these peaks to the excitation of a 2p electron from the core. However, our present results with the new admixture reveal similar peaks without considering the possibility of the core excitation

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

    CERN Document Server

    Baumann, Gerd

    2005-01-01

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

  3. Theoretical prediction of rare gas inserted hydronium ions: HRgOH2(+).

    Science.gov (United States)

    Ghosh, Ayan; Manna, Debashree; Ghanty, Tapan K

    2013-05-21

    A possibility of existence of new species through insertion of a rare gas atom in hydronium ion resulting into HRgOH2(+) cation (Rg = He, Ar, Kr, and Xe) has been explored by using various ab initio quantum chemical techniques. Structure, harmonic vibrational frequencies, stability, and charge distribution of HRgOH2(+) species as obtained using density functional theory, second order Møller-Plesset perturbation theory, and coupled-cluster theory based methods are reported in this work. All the calculated results suggest that the HRgOH2(+) species are stable enough with respect to all the dissociation channels, except the 2-body dissociation path (H3O(+) + Rg). Nevertheless, this 2-body dissociation channel connected through the relevant transition state is associated with a finite barrier, which in turn would prevent the metastable species in transforming to global minimum products. The calculated values of topological properties within the framework of quantum theory of atoms-in-molecules are found to be consistent with the bond length values. Structural and energetic parameters clearly suggest that it might be possible to prepare and characterize the HRgOH2(+) species (except HHeOH2(+)) using electron bombardment matrix isolation technique in a way similar to that of the preparation of (Rg2H)(+) or mixed (RgHRg('))(+) cations.

  4. Theoretical studies of lower hybrid current drive and ion-cyclotron heating in tokamaks

    International Nuclear Information System (INIS)

    Perkins, F.W.; Valeo, E.J.; Eder, D.C.

    1985-02-01

    A computational model for PLT lower hybrid current drive and ramp-up experiments combines a parallel velocity Fokker-Planck treatment of lower hybrid current drive with minor radius flux diffusion and toroidal ray-tracing wave propagation. Computational and experimental results are in good accord. Analytic solutions of the two-dimensional velocity space (v/sub perpendicular/, v/sub parallel/) diffusion problem give values of the current drive parameter J/P/sub d/ which agree with numerical results, both relativistically and nonrelativistically. Turning to ICRF heating, two new all-metal antenna designs will permit power flux up to 10 kW/cm 2 . A full wave solution to the magnetosonic wave equation, based on the parabolic method, yields cylindrical convergence and treats the diffraction limitation on intensity correctly. Mode conversion with energy absorption has been added to the BALDUR ICRF modeling code. A Fokker-Planck treatment of high energy ion tail formation by ICRF finds that enhanced thermonuclear reactivity can occur

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

    International Nuclear Information System (INIS)

    Daum, E.

    1996-10-01

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

  6. A precise theoretical method for high- throughput screening of novel organic electrode materials for Li-ion batteries

    Directory of Open Access Journals (Sweden)

    Wanwan Zhang

    2017-09-01

    Full Text Available Organic electrode materials have gained significant attention due to their flexibility, lightweight characteristics, abundant resources in nature, and low CO2 emission. It's urgently needed for setting up an accurate high-throughput screening theoretical scheme that could find out possible candidates of electrode materials. Currently, the error between the theoretical potentials calculated by the PBE-D2 (DFT-D2, dispersion-corrected density functional theory method and the experimental values is larger than 12%. Thus, it's essential to finding a more accurate method. In the present work, hybrid functionals and vdW correction methods are applied to investigate six reported organic electrode materials for Li-ion batteries. The results show that the hybrid functional combined with the D2 dispersion corrected method, i.e., HSE06-D2 (Heyd, Scuseria, and Ernzerhof, dispersion-corrected, is able to predict the potential of the organic material precisely with an average error of approximately 5%. This method occupies much hardware resources and being very time consuming, but it could be applied as the final ultrafine step in the high-throughput screening program.

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

    International Nuclear Information System (INIS)

    Parr, A.C.

    1983-01-01

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

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

    Indian Academy of Sciences (India)

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-05-01

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

  10. Experimental and theoretical study of the mechanism of formation of astrochemically important C2n+1N− anions via ion/molecule reactions

    Czech Academy of Sciences Publication Activity Database

    Žabka, Ján; Ndiaye, Ibrahima; Alcaraz, C.; Romanzin, C.; Polášek, Miroslav

    2014-01-01

    Roč. 367, JUN 2014 (2014), s. 1-9 ISSN 1387-3806 R&D Projects: GA ČR GAP208/11/0446 Grant - others:COST(XE) CM0805 Institutional support: RVO:61388955 Keywords : Cyanoacetylene * Cyanopolyyne anions * Ion/molecule reactions Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.972, year: 2014

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

    Czech Academy of Sciences Publication Activity Database

    Bludský, Ota; Šilhan, Martin; Nachtigall, Petr

    2002-01-01

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

  12. Distributed ion pump related transverse instability in CESR

    Energy Technology Data Exchange (ETDEWEB)

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

    1996-08-01

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

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

    NARCIS (Netherlands)

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

    Heavy ion radiotherapy awakens worldwide interest recently. The clinical results obtained by the Heavy Ion Medical Accelerator in Chiba at the National Institute of Radiological Sciences in Japan have clearly demonstrated the advantages of carbon ion radiotherapy. Presently, there are four

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

    Science.gov (United States)

    Mussel, Patrick

    2013-05-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-06-24

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

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

    Science.gov (United States)

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

    2001-06-01

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

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

    Directory of Open Access Journals (Sweden)

    Ilija Lavrnja

    1995-12-01

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

  18. Laboratory Measurement And Theoretical Modeling of K-Shell X-Ray Lines From Inner-Shell Excited And Ionized Ions of Oxygen

    Energy Technology Data Exchange (ETDEWEB)

    Gu, M.F.

    2005-04-08

    We present high resolution laboratory spectra of K-shell X-ray lines from inner-shell excited and ionized ions of oxygen, obtained with a reflection grating spectrometer on the electron beam ion trap (EBIT-I) at the Lawrence Livermore National Laboratory. Only with a multi-ion model including all major atomic collisional and radiative processes, are we able to identify the observed K-shell transitions of oxygen ions from O III to O VI. The wavelengths and associated errors for some of the strongest transitions are given, taking into account both the experimental and modeling uncertainties. The present data should be useful in identifying the absorption features present in astrophysical sources, such as active galactic nuclei and X-ray binaries. They are also useful in providing benchmarks for the testing of theoretical atomic structure calculations.

  19. A theoretical assessment of the relations between innovation and businesses strategies with social impact

    Directory of Open Access Journals (Sweden)

    Damiana Machado de Almeida

    2016-11-01

    Full Text Available This work seeks to explain theoretically the relationship between innovation and business strategies that have social impact. This theoretical study adopts an exploratory and qualitative approach, including bibliographic research in books and articles that deal with the pertinent topics. We found that the knowledge needed for innovation is spread more easily in environments in which there is freedom, encouragement of personal development, and creativity. The adoption of a culture that favors innovation generates several kinds of impacts in the organizational environment, especially in relation to issues of business that have a social impact. Both through the initiative of entrepreneurs and by organizational action, social innovation acquires its own features and contours, which are distinct from traditional innovation strategies. As a consequence, innovation must be present in businesses with social impact, in order to reach uncommon solutions that are not present in traditional businesses.

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

    Directory of Open Access Journals (Sweden)

    Aline Midori Kuroda

    2015-12-01

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

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

    Science.gov (United States)

    Vukovic, Mirko

    2011-10-01

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

  2. Penta-graphene: A Promising Anode Material as the Li/Na-Ion Battery with Both Extremely High Theoretical Capacity and Fast Charge/Discharge Rate.

    Science.gov (United States)

    Xiao, Bo; Li, Yan-Chun; Yu, Xue-Fang; Cheng, Jian-Bo

    2016-12-28

    Recently, a new two-dimensional (2D) carbon allotrope named penta-graphene was theoretically proposed ( Zhang , S. ; et al. Proc. Natl. Acad. Sci. U.S.A. 2015 , 112 , 2372 ) and has been predicted to be the promising candidate for broad applications due to its intriguing properties. In this work, by using first-principles simulation, we have further extended the potential application of penta-graphene as the anode material for a Li/Na-ion battery. Our results show that the theoretical capacity of Li/Na ions on penta-graphene reaches up to 1489 mAh·g -1 , which is much higher than that of most of the previously reported 2D anode materials. Meanwhile, the calculated low open-circuit voltages (from 0.24 to 0.60 V), in combination with the low diffusion barriers (≤0.33 eV) and the high electronic conductivity during the whole Li/Na ions intercalation processes, further show the advantages of penta-graphene as the anode material. Particularly, molecular dynamics simulation (300 K) reveals that Li ion could freely diffuse on the surface of penta-graphene, and thus the ultrafast Li ion diffusivity is expected. Superior performance of penta-graphene is further confirmed by comparing with the other 2D anode materials. The light weight and unique atomic arrangement (with isotropic furrow paths on the surface) of penta-graphene are found to be mainly responsible for the high Li/Na ions storage capacity and fast diffusivity. In this regard, except penta-graphene, many other recently proposed 2D metal-free materials with pentagonal Cairo-tiled structures may be the potential candidates as the Li/Na-ion battery anodes.

  3. Nano-Objects and Ions in Liquid Crystals: Ion Trapping Effect and Related Phenomena

    OpenAIRE

    Yuriy Garbovskiy; Iryna Glushchenko

    2015-01-01

    The presence of ions in liquid crystals is one of the grand challenges that hinder the application of liquid crystals in various devices, which include advanced 3-D and flexible displays, tunable lenses, etc. Not only do they compromise the overall performance of liquid crystal devices, ions are also responsible for slow response, image sticking, and image flickering, as well as many other negative effects. Even highly purified liquid crystal materials can get contaminated during the manufact...

  4. Nano-Objects and Ions in Liquid Crystals: Ion Trapping Effect and Related Phenomena

    Directory of Open Access Journals (Sweden)

    Yuriy Garbovskiy

    2015-11-01

    Full Text Available The presence of ions in liquid crystals is one of the grand challenges that hinder the application of liquid crystals in various devices, which include advanced 3-D and flexible displays, tunable lenses, etc. Not only do they compromise the overall performance of liquid crystal devices, ions are also responsible for slow response, image sticking, and image flickering, as well as many other negative effects. Even highly purified liquid crystal materials can get contaminated during the manufacturing process. Moreover, liquid crystals can degrade over time and generate ions. All of these factors raise the bar for their quality control, and increase the manufacturing cost of liquid crystal products. A decade of dedicated research has paved the way to the solution of the issues mentioned above through merging liquid crystals and nanotechnology. Nano-objects (guests that are embedded in the liquid crystals (hosts can trap ions, which decreases the ion concentration and electrical conductivity, and improves the electro-optical response of the host. In this paper, we (i review recently published works reporting the effects of nanoscale dopants on the electrical properties of liquid crystals; and (ii identify the most promising inorganic and organic nanomaterials suitable to capture ions in liquid crystals.

  5. Relational representation for improved decisions with an information-theoretic CADe system: initial experience

    Science.gov (United States)

    Mazurowski, Maciej A.; Tourassi, Georgia D.

    2009-02-01

    Our previously presented information-theoretic computer-aided detection (IT-CADe) system for distinguishing masses and normal parenchyma in mammograms is an example of a case-based system. IT-CAD makes decisions by evaluating the querys average similarity with known mass and normal examples stored in the systems case base. Pairwise case similarity is measured in terms of their normalized mutual information. The purpose of this study was to evaluate whether incorporating a new machine learning concept of relational representation to IT-CAD is a more effective strategy than the decision algorithm that is currently in place. A trainable relational representation classifier builds a decision rule using the relational representation of cases. Instead of describing a case by a vector of intrinsic features, the case is described by its NMI-based similarity to a set of known examples. For this study, we first applied random mutation hill climbing algorithm to select the concise set of knowledge cases and then we applied a support vector machine to derive a decision rule using the relational representation of cases. We performed the study with a database of 600 mammographic regions of interest (300 with masses and 300 with normal parenchyma). Our experiments indicate that incorporating the concept of relational representation with a trainable classifier to IT-CAD provides an improvement in performance as compared with the original decision rule. Therefore, relational representation is a promising strategy for IT-CADe.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-06-01

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

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

    International Nuclear Information System (INIS)

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

    1984-01-01

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

  8. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    L. Grisham and J.W. Kwan

    2008-08-12

    Some years ago it was suggested that halogen negative ions [1] could offer a feasible alternative path to positive ions as a heavy ion fusion driver beam which would not suffer degradation due to electron accumulation in the accelerator and beam transport system, and which could be converted to a neutral beam by photodetachment near the chamber entrance if desired. Since then, experiments have demonstrated that negative halogen beams can be extracted and accelerated away from the gas plume near the source with a surviving current density close to what could be achieved with a positive ion of similar mass, and with comparable optical quality. In demonstrating the feasibility of halogen negative ions as heavy ion driver beams, ion - ion plasmas, an interesting and somewhat novel state of matter, were produced. These plasmas, produced near the extractor plane of the sources, appear, based upon many lines of experimental evidence, to consist of almost equal densities of positive and negative chlorine ions, with only a small component of free electrons. Serendipitously, the need to extract beams from this plasma for driver development provides a unique diagnostic tool to investigate the plasma, since each component - positive ions, negative ions, and electrons -- can be extracted and measured separately. We discuss the relevance of these observations to understanding negative ion beam extraction from electronegative plasmas such as halogens, or the more familiar hydrogen of magnetic fusion ion sources. We suggest a concept which might improve negative hydrogen extraction by the addition of a halogen. The possibility and challenges of producing ion-ion plasmas with thin targets of halogens or, perhaps, salt, is briefly addressed.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2008-08-01

    Some years ago it was suggested that halogen negative ions [1]could offer a feasible alternative path to positive ions as a heavy ion fusion driver beam which would not suffer degradation due to electron accumulation in the accelerator and beam transport system, and which could be converted to a neutral beam by photodetachment near the chamber entrance if desired. Since then, experiments have demonstrated that negative halogen beams can be extracted and accelerated away from the gas plume near the source with a surviving current density close to what could be achieved with a positive ion of similar mass, and with comparable optical quality. In demonstrating the feasibility of halogen negative ions as heavy ion driver beams, ion - ion plasmas, an interesting and somewhat novel state of matter, were produced. These plasmas, produced near the extractor plane of the sources, appear, based upon many lines of experimental evidence, to consist of almost equal densities of positive and negative chlorine ions, with only a small component of free electrons. Serendipitously, the need to extract beams from this plasma for driver development provides a unique diagnostic tool to investigate the plasma, since each component - positive ions, negative ions, and electrons -- can be extracted and measured separately. We discuss the relevance of these observations to understanding negative ion beam extraction from electronegative plasmas such as halogens, or the more familiar hydrogen of magnetic fusion ion sources. We suggest a concept which might improve negative hydrogen extraction by the addition of a halogen. The possibility and challenges of producing ion-ion plasmas with thin targets of halogens or, perhaps, salt, is briefly addressed.

  11. On the Theoretical Framework of Magnetized Outflows from Stellar-Mass Black Holes and Related Observations

    Science.gov (United States)

    Christodoulou, D. M.; Contopoulos, I.; Kazanas, D.; Steiner, J. F.; Papadopoulos, D. B.; Laycock, S. G. T.

    2016-01-01

    The spins of stellar-mass black holes (BHs) and the power outputs of their jets are measurable quantities. Unfortunately, the currently employed methods do not agree and the results are controversial. Two major issues concern the measurements of BH spin and beam (jet) power. The former issue can be resolved by future observations. But the latter issue can be resolved now, if we pay attention to what is expected from theoretical considerations. The question of whether a correlation has been found between the power outputs of few objects and the spins of their BHs is moot because BH beam power does not scale with the square of the spin of the BH. We show that the theoretical BH beam power is a strongly nonlinear function of spin that cannot be approximated by a quadratic relation, as is generally stated when the influence of the magnetic field is not accounted for in the Blandford & Znajek model. The BH beam power of ballistic jets should scale a lot more steeply with BH spin irrespective of the magnetic field assumed to thread the horizon and the spin range considered. This behavior may already be visible in the analyses of radio observations by Narayan & McClintock and Russell et al. In agreement with previous studies, we also find that the power output that originates in the inner regions of the surrounding accretion disks is higher than that from the BHs and it cannot be ignored in investigations of continuous compact jets from these systems.

  12. How Is RAN Related to Reading Fluency? A Comprehensive Examination of the Prominent Theoretical Accounts

    Science.gov (United States)

    Papadopoulos, Timothy C.; Spanoudis, George C.; Georgiou, George K.

    2016-01-01

    We examined the prominent theoretical explanations of the RAN-reading relationship in a relatively transparent language (Greek) in a sample of children (n = 286) followed from Grade 1 to Grade 2. Specifically, we tested the fit of eight different models, as defined by the type of reading performance predicted (oral vs. silent word reading fluency), the type of RAN tasks (non-alphanumeric vs. alphanumeric), and the RAN effects (direct vs. indirect). Working memory, attention, processing speed, and motor skills were used as “common cause” variables predicting both RAN and reading fluency and phonological awareness and orthographic processing were used as mediators of RAN's effects on reading fluency. The findings of both concurrent and longitudinal analyses indicated that RAN is a unique predictor of oral reading fluency, but not silent reading fluency. Using alphanumeric or non-alphanumeric RAN did not particularly affect the RAN-reading relationship. Both phonological awareness and orthographic processing partly mediated RAN's effects on reading fluency. Theoretical implications of these findings are discussed. PMID:27605918

  13. A Detection-Theoretic Analysis of Auditory Streaming and Its Relation to Auditory Masking

    Directory of Open Access Journals (Sweden)

    An-Chieh Chang

    2016-09-01

    Full Text Available Research on hearing has long been challenged with understanding our exceptional ability to hear out individual sounds in a mixture (the so-called cocktail party problem. Two general approaches to the problem have been taken using sequences of tones as stimuli. The first has focused on our tendency to hear sequences, sufficiently separated in frequency, split into separate cohesive streams (auditory streaming. The second has focused on our ability to detect a change in one sequence, ignoring all others (auditory masking. The two phenomena are clearly related, but that relation has never been evaluated analytically. This article offers a detection-theoretic analysis of the relation between multitone streaming and masking that underscores the expected similarities and differences between these phenomena and the predicted outcome of experiments in each case. The key to establishing this relation is the function linking performance to the information divergence of the tone sequences, DKL (a measure of the statistical separation of their parameters. A strong prediction is that streaming and masking of tones will be a common function of DKL provided that the statistical properties of sequences are symmetric. Results of experiments are reported supporting this prediction.

  14. Towards elimination of asbestos-related diseases: a theoretical basis for international cooperation.

    Science.gov (United States)

    Takahashi, Ken; Kang, Seong-Kyu

    2010-12-01

    We develop a theoretical framework for international cooperation that can be used for the elimination of asbestos-related diseases (ARDs). The framework is based on the similarities in the temporal patterns of asbestos use and occurrence of ARDs in diverse countries. The status of each nation can be characterized by observing asbestos use and ARD frequency therein using a time window. Countries that supply technology for prevention of ARDs can be classified as donors and countries that receive these technologies as recipients. We suggest identification of three levels of core preventative technologies. Development of a common platform to gather and manage core preventative technologies will combine the strengths of donor countries and the needs of recipient countries.

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

    Directory of Open Access Journals (Sweden)

    Maria da Graça R. Campos

    2010-02-01

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

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

    Science.gov (United States)

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

    2010-01-01

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

  17. Recent radioactive ion beam program at RIKEN and related topics

    Indian Academy of Sciences (India)

    Recent experimental programs at RIKEN concerning RI beams are reviewed. RIKEN has the ring cyclotron (RRC) with high intense heavy-ion beams and large acceptance fragment separator, RIPS. The complex can provide high intense RI-beams. By using the high intense RI-beams, a variety of experiments have been ...

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

    International Nuclear Information System (INIS)

    Gupta, S.D.

    1978-01-01

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

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

    Directory of Open Access Journals (Sweden)

    Urošević Dejan V.

    2003-01-01

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

  20. Center for Theoretical Underground Physics and Related Areas – CETUP*2016 Summer Program

    Energy Technology Data Exchange (ETDEWEB)

    Szczerbinska, Barbara [Texas A& M University Corpus Christi, Madison, SD (United States)

    2017-02-15

    For last six years Center for Theoretical Underground Physics and Related Areas (CETUP*) successfully provided a stimulating environment for creative thinking and open communication between researches of varying ages and nationalities in dynamic atmosphere of intense scientific interactions. Ongoing and proposed Neutrino and Dark Matter experiments are expected to unveil the answers to fundamental questions about the Universe. CETUP*2016 was focused exactly on these subjects bringing together experts in dark matter, neutrino physics, particle and nuclear physics, astrophysics and cosmology from around the world. Scientists invited to participate in the program not only provided theoretical support to the underground science, but they also examined core questions including: What is the nature of dark matter?, What is the origin of the neutrino masses?, How well do we know the neutrino parameters?, How have neutrinos shaped the evolution of the universe?, , What are the fundamental underlying symmetries of the Universe? Is there a Grand Unified Theory of the Universe? and many others. The 2016 CETUP* summer program consisted of three sessions (June 6 – July 16, 2016) covering various aspects of theoretical and experimental neutrino physics, unification and dark matter. The two week long session on Physics and Instrumentation of the Near Detector for the Long-Baseline Neutrino Experiments (June 6 – June 16) was followed by the two week long Neutrino Physics/Unification session: “From Grand Unification to String Theory and Back” (June 20 – July 2). The program ended with two week long session on Dark Matter Physics (July 4 – July 16). This six-week long program allowed for thorough discussions and an effective and comprehensive analysis of topics related to Dark Matter, Dark Energy, Neutrino Physics including astrophysical neutrinos, near and far detector physics, neutrino interactions, Higgs Boson, Inflation, Leptogenesis and many others that will advance

  1. Experimental and Theoretical Study of Ionic Pair Dissociation in a Lithium Ion-Linear Polyethylenimine-Polyacrylonitrile Blend for Solid Polymer Electrolytes.

    Science.gov (United States)

    Pignanelli, Fernando; Romero, Mariano; Faccio, Ricardo; Mombrú, Álvaro W

    2017-07-13

    Herein, we report the preparation and characterization of a novel polymeric blend between linear polyethylene imine (PEI) and polyacrylonitrile (PAN), with the purpose of facilitating the dissociation of lithium perchlorate salt (LiClO 4 ) and thus to enhance Li ion transport. It is a joint theoretical and experimental procedure for evaluating and thus demonstrating the lithium salt dissociation. The procedure implies the correlation between the theoretical pair distribution function (PDF) and conventional X-ray diffraction (XRD) by means of a molecular dynamics (MD) approach. Additionally, we correlated the experimental and theoretical Raman and infrared spectroscopy for vibrational characterization of the lithium salt after dissociation in the polymeric blend. We also performed confocal Raman microscopy analysis to evidence the homogeneity on the distribution of all components and the LiClO 4 dissociation in the polymer blend. The electrochemical impedance analysis confirmed that the Li-PAN-PEI blend presents a slightly better lithium conductivity of ∼8 × 10 -7 S cm -1 . These results suggest that this polymer blend material is promising for the development of novel fluorine-free solid polymer lithium ion electrolytes, and the methodology is suitable for characterizing similar polymeric systems.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1990-12-01

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

  3. Atom probe field-ion microscopy and related topics: A bibliography, 1988

    Energy Technology Data Exchange (ETDEWEB)

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

    1989-10-01

    This bibliography includes references related to the following topics: field-ion microscopy (FIM), field emission microscopy (FEM), atom probe field-ion microscopy (APFIM), and liquid metal ion sources (LMIS). Technique-orientated studies and applications are included. The references contained in this document were compiled from a variety of sources including computer searches and personal lists of publications. To reduce the length of this document, the references have been reduced to the minimum necessary to locate the articles.

  4. Mathematica for Theoretical Physics: Electrodynamics, Quantum Mechanics, General Relativity and Fractals

    Energy Technology Data Exchange (ETDEWEB)

    Heusler, Stefan [Duisburg-Essen University, 47057 Duisburg (Germany)

    2006-12-08

    The main focus of the second, enlarged edition of the book Mathematica for Theoretical Physics is on computational examples using the computer program Mathematica in various areas in physics. It is a notebook rather than a textbook. Indeed, the book is just a printout of the Mathematica notebooks included on the CD. The second edition is divided into two volumes, the first covering classical mechanics and nonlinear dynamics, the second dealing with examples in electrodynamics, quantum mechanics, general relativity and fractal geometry. The second volume is not suited for newcomers because basic and simple physical ideas which lead to complex formulas are not explained in detail. Instead, the computer technology makes it possible to write down and manipulate formulas of practically any length. For researchers with experience in computing, the book contains a lot of interesting and non-trivial examples. Most of the examples discussed are standard textbook problems, but the power of Mathematica opens the path to more sophisticated solutions. For example, the exact solution for the perihelion shift of Mercury within general relativity is worked out in detail using elliptic functions. The virial equation of state for molecules' interaction with Lennard-Jones-like potentials is discussed, including both classical and quantum corrections to the second virial coefficient. Interestingly, closed solutions become available using sophisticated computing methods within Mathematica. In my opinion, the textbook should not show formulas in detail which cover three or more pages-these technical data should just be contained on the CD. Instead, the textbook should focus on more detailed explanation of the physical concepts behind the technicalities. The discussion of the virial equation would benefit much from replacing 15 pages of Mathematica output with 15 pages of further explanation and motivation. In this combination, the power of computing merged with physical intuition

  5. Mapping Theory - a mapping of the theoretical territory related to a contemporary concept of public space

    DEFF Research Database (Denmark)

    Smith, Shelley

    2008-01-01

    This working paper maps the theoretical territory of public space - urban public space - in a contemporary urban context. By finding, selecting, registering and examining existing theoretical stand points, the paper founds a basis for the creation of theory in an architectural discourse and for t......This working paper maps the theoretical territory of public space - urban public space - in a contemporary urban context. By finding, selecting, registering and examining existing theoretical stand points, the paper founds a basis for the creation of theory in an architectural discourse...

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

    International Nuclear Information System (INIS)

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

    2013-11-01

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

  7. Nonlinear Ion Harmonics in the Paul Trap with Added Octopole Field: Theoretical Characterization and New Insight into Nonlinear Resonance Effect

    Science.gov (United States)

    Xiong, Caiqiao; Zhou, Xiaoyu; Zhang, Ning; Zhan, Lingpeng; Chen, Yongtai; Nie, Zongxiu

    2016-02-01

    The nonlinear harmonics within the ion motion are the fingerprint of the nonlinear fields. They are exclusively introduced by these nonlinear fields and are responsible to some specific nonlinear effects such as nonlinear resonance effect. In this article, the ion motion in the quadrupole field with a weak superimposed octopole component, described by the nonlinear Mathieu equation (NME), was studied by using the analytical harmonic balance (HB) method. Good accuracy of the HB method, which was comparable with that of the numerical fourth-order Runge-Kutta (4th RK), was achieved in the entire first stability region, except for the points at the stability boundary (i.e., β = 1) and at the nonlinear resonance condition (i.e., β = 0.5). Using the HB method, the nonlinear 3β harmonic series introduced by the octopole component and the resultant nonlinear resonance effect were characterized. At nonlinear resonance, obvious resonant peaks were observed in the nonlinear 3β series of ion motion, but were not found in the natural harmonics. In addition, both resonant excitation and absorption peaks could be observed, simultaneously. These are two unique features of the nonlinear resonance, distinguishing it from the normal resonance. Finally, an approximation equation was given to describe the corresponding working parameter, q nr , at nonlinear resonance. This equation can help avoid the sensitivity degradation due to the operation of ion traps at the nonlinear resonance condition.

  8. Cooperative interaction of hydronium ion with an ethereally fenced hexaarylbenzene-based receptor: an NMR and theoretical study

    Czech Academy of Sciences Publication Activity Database

    Kříž, Jaroslav; Toman, Petr; Makrlík, E.; Budka, J.; Shukla, R.; Rathore, R.

    2010-01-01

    Roč. 114, č. 16 (2010), s. 5327-5334 ISSN 1089-5639 R&D Projects: GA ČR GA203/09/1478 Institutional research plan: CEZ:AV0Z40500505 Keywords : aromatic proton receptor * hydronium ions * complex exchange dynamics Subject RIV: CD - Macromolecular Chemistry Impact factor: 2.732, year: 2010

  9. Nonlinear Ion Harmonics in the Paul Trap with Added Octopole Field: Theoretical Characterization and New Insight into Nonlinear Resonance Effect.

    Science.gov (United States)

    Xiong, Caiqiao; Zhou, Xiaoyu; Zhang, Ning; Zhan, Lingpeng; Chen, Yongtai; Nie, Zongxiu

    2016-02-01

    The nonlinear harmonics within the ion motion are the fingerprint of the nonlinear fields. They are exclusively introduced by these nonlinear fields and are responsible to some specific nonlinear effects such as nonlinear resonance effect. In this article, the ion motion in the quadrupole field with a weak superimposed octopole component, described by the nonlinear Mathieu equation (NME), was studied by using the analytical harmonic balance (HB) method. Good accuracy of the HB method, which was comparable with that of the numerical fourth-order Runge-Kutta (4th RK), was achieved in the entire first stability region, except for the points at the stability boundary (i.e., β = 1) and at the nonlinear resonance condition (i.e., β = 0.5). Using the HB method, the nonlinear 3β harmonic series introduced by the octopole component and the resultant nonlinear resonance effect were characterized. At nonlinear resonance, obvious resonant peaks were observed in the nonlinear 3β series of ion motion, but were not found in the natural harmonics. In addition, both resonant excitation and absorption peaks could be observed, simultaneously. These are two unique features of the nonlinear resonance, distinguishing it from the normal resonance. Finally, an approximation equation was given to describe the corresponding working parameter, q nr , at nonlinear resonance. This equation can help avoid the sensitivity degradation due to the operation of ion traps at the nonlinear resonance condition.

  10. Moral distress: a comparative analysis of theoretical understandings and inter-related concepts.

    Science.gov (United States)

    Lützén, Kim; Kvist, Beatrice Ewalds

    2012-03-01

    Research on ethical dilemmas in health care has become increasingly salient during the last two decades resulting in confusion about the concept of moral distress. The aim of the present paper is to provide an overview and a comparative analysis of the theoretical understandings of moral distress and related concepts. The focus is on five concepts: moral distress, moral stress, stress of conscience, moral sensitivity and ethical climate. It is suggested that moral distress connects mainly to a psychological perspective; stress of conscience more to a theological-philosophical standpoint; and moral stress mostly to a physiological perspective. Further analysis indicates that these thoughts can be linked to the concepts of moral sensitivity and ethical climate through a relationship to moral agency. Moral agency comprises a moral awareness of moral problems and moral responsibility for others. It is suggested that moral distress may serve as a positive catalyst in exercising moral agency. An interdisciplinary approach in research and practice broadens our understanding of moral distress and its impact on health care personnel and patient care.

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

    Directory of Open Access Journals (Sweden)

    Oleksii Drozd

    2017-12-01

    Full Text Available The aim of this article is to study the theoretical, methodological, and legal possibilities of application of certain types of legal responsibility to the relations, which are connected with cryptocurrency (bitcoin. Some types of liability in the field of cryptocurrency relations make the subject of the study. Methodology. The research is based on a comparison of legal regulation of the sphere of cryptocurrency in Ukraine and in foreign countries. Advantages and disadvantages of different modes of cryptocurrency turnover are determined: from direct prohibition to granting the status of the official payment system. It is made on the basis of the analysis of peculiarities of the circulation of virtual money in Australia, Germany, the Netherlands, New Zealand, Singapore, Indonesia, China, the Russian Federation, Bolivia, Ecuador, Thailand, Vietnam, the USA, Japan, Spain, and some other countries. On the basis of the comparative legal study of certain provisions of the civil, administrative, tort, and criminal legislation of Ukraine, the possibilities and limits of the application of certain types of legal responsibility to violations in the field of cryptocurrency are determined. The results of the comparative legal study have shown that, unlike most foreign countries, in Ukraine, there is no legislative consolidation of the legal status of the virtual currency. In this regard, today in the national legislation, there are no direct rules that would predict the occurrence of administrative, criminal or civil liability for the offenses in the field of cryptocurrency relations. Practical impact. Since guarantees of compulsory restoration or protection of violated law play an important role in the legal regulation of any social relations, the proper legislative regulation of public relations in the sphere of crypto currency circulation is an urgent problem today, including with the help of establishing liability for the offenses in this field

  12. Detection of Hg2+ ions in aqueous medium using an indole-based fluorescent probe: Experimental and theoretical investigations

    Czech Academy of Sciences Publication Activity Database

    Joshi, S.; Kumari, S.; Sarmah, Amrit; Pant, D. D.; Sakhuja, R.

    2017-01-01

    Roč. 248, Dec (2017), s. 668-677 ISSN 0167-7322 Institutional support: RVO:61388963 Keywords : coumarin * chemosensor * fluorescence * quenching * mercury * DFT calculations Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 3.648, year: 2016

  13. Theoretical Approaches in the Context of Spatial Planning Decisions and the Relation with Urban Sustainability

    Science.gov (United States)

    Kumlu, Kadriye Burcu Yavuz; Tüdeş, Şule

    2017-10-01

    The sustainability agenda has maintained its importance since the days, when the production system took its capitalist form, as well as the population in the urban areas started to rise. Increasing number of both goods and the people have caused the degradation of the certain systems, which generate the urban areas. These systems could mainly be classified as social, environmental, physical and economical systems. Today, urban areas still have difficulty to protect those systems, due to the significant demand of the population. Therefore, studies related with the sustainable issues are significant in the sense of continuity of the urban systems. Therefore, in this paper, those studies in the context of the effects of physical decisions taken in the spatial planning process on urban sustainability, will be examined. The components of the physical decisions are limited to land use, density and design. Land use decisions will be examined in the context of mixed land use. On the other hand, decisions related with density will be analyzed in the sense of population density and floor area ratio (FAR). Besides, design decisions will be examined, by linking them with neighborhood design criteria. Additionally, the term of urban sustainability will only be limited to its social and environmental contexts in this study. Briefly stated, studies in the sustainable literature concerned with the effects of land use, density and design decisions taken in the spatial planning process on the social and environmental sustainability will be examined in this paper. After the compilation and the analyze of those studies, a theoretical approach will be proposed to determine social and environmental sustainability in the context of land use, density and design decisions, taken in the spatial planning process.

  14. Study of paramagnetic contrast agents for NMR imaging: theoretical and experimental aspects (the case of Mn2+ ion)

    International Nuclear Information System (INIS)

    Chavoix, M.E.

    1984-06-01

    The use of contrast enhancing agents and the evaluation of magnetic properties of tissues, extend the diagnostic usefulness of Nuclear Magnetic Resonance (NMR) imaging. From this point of view, proton T 1 (spin-lattice) relaxation times of rat tissue, following parenteral administration of Mn(II) to increase the relaxation rate (R 1 =1/T 1 ), have been studied at 20 MHz. Differenciation of free (MF) and bound (Mb) manganese in these tissues was thus determined by measuring, total exogenous Mn ++ ions by Atomic Absorption spectrometry and free (non protein complexed) ions by Electron Spin Resonance Analysis. From these results, the diffusion of Mn ++ into various organs, was evaluated 15 min. after injection. A significant difference in the fixation of manganese occured between the liver and the pancreas with uptakes of 50% and 1% of the administration dose respectively [fr

  15. Mapping Theory - a mapping of the theoretical territory related to a contemporary concept of public space

    DEFF Research Database (Denmark)

    Smith, Shelley

    2008-01-01

    This working paper maps the theoretical territory of public space - urban public space - in a contemporary urban context. By finding, selecting, registering and examining existing theoretical stand points, the paper founds a basis for the creation of theory in an architectural discourse...... and for the examination of new spatial constellations for further research in public space. In addition to this, the appendices of the working paper are a kind of database for sources and source analyses....

  16. Theoretical Prediction of Melting Relations in the Deep Mantle: the Phase Diagram Approach

    Science.gov (United States)

    Belmonte, D.; Ottonello, G. A.; Vetuschi Zuccolini, M.; Attene, M.

    2016-12-01

    Despite the outstanding progress in computer technology and experimental facilities, understanding melting phase relations in the deep mantle is still an open challenge. In this work a novel computational scheme to predict melting relations at HP-HT by a combination of first principles DFT calculations, polymer chemistry and equilibrium thermodynamics is presented and discussed. The adopted theoretical framework is physically-consistent and allows to compute multi-component phase diagrams relevant to Earth's deep interior in a broad range of P-T conditions by a convex-hull algorithm for Gibbs free energy minimisation purposely developed for high-rank simplexes. The calculated phase diagrams are in turn used as a source of information to gain new insights on the P-T-X evolution of magmas in the deep mantle, providing some thermodynamic constraints to both present-day and early Earth melting processes. High-pressure melting curves of mantle silicates are also obtained as by-product of phase diagram calculation. Application of the above method to the MgO-Al2O3-SiO2 (MAS) ternary system highlights as pressure effects are not only able to change the nature of melting of some minerals (like olivine and pyroxene) from eutectic to peritectic (and vice versa), but also simplify melting relations by drastically reducing the number of phases with a primary phase field at HP-HT conditions. It turns out that mineral phases like Majorite-Pyrope garnet and Anhydrous Phase B (Mg14Si5O24), which are often disregarded in modelling melting processes of mantle assemblages, are stable phases at solidus or liquidus conditions in a P-T range compatible with the mantle transition zone (i.e. P = 16 - 23 GPa and T = 2200 - 2700 °C) when their thermodynamic and thermophysical properties are properly assessed. Financial support to the Senior Author (D.B.) during his stay as Invited Scientist at the Institut de Physique du Globe de Paris (IPGP, Paris) is warmly acknowledged.

  17. A conceptual framework related to ICT-AT competence development: The theoretical foundations of ENTELIS.

    Science.gov (United States)

    Mavrou, Katerina; Hoogerwerf, Evert-Jan; Meletiou-Mavrotheris, Maria; Kärki, Anne; Sallinen, Merja

    2015-01-01

    This paper provides an overview of the construction of a conceptual framework regarding ICT-Assistive Technology (ICT-AT) competence development, designed to gain awareness of the elements involved and to facilitate the understanding and exchange among stakeholders of the ENTELIS (European Network for Technology Enhanced Learning in an Inclusive Society) project. The framework was designed based on the basic principles of Activity Theory, which however have been adapted and adjusted to the project's objectives. Hence, it includes a map of actors and other parameters functioning in a person surrounding "ecosystem", and it allows us to understand and map roles, expectations, barriers, as well as to devise solutions to tackle digital divide. Taking as a starting and central point the person and his/her wish to self-determination and fulfilment (quality of life) and the related needs, it provides a map of how the various concepts and variables interact within the theoretical and methodological perspective of the collection, description and assessment of experiences in ICT-AT education and competences development of persons with disabilities (PwD) of all ages. The conceptual framework represents two interacting learning activity systems: (a) the internal system of the end-user, which includes the end-user and his/her needs, the setting where learning takes place and the other actors involved, and (b) the external system, which embraces the internal system but also wider issues of policy and practice and experiences and 'actors' that contribute to the development and use of ICT and ICT-AT skills in all areas of life. The elements of these systems and their interaction provide the basis for analysing experiences and advancing knowledge relevant for bridging the digital divide.

  18. Mathematica for Theoretical Physics: Electrodynamics, Quantum Mechanics, General Relativity and Fractals

    International Nuclear Information System (INIS)

    Heusler, Stefan

    2006-01-01

    The main focus of the second, enlarged edition of the book Mathematica for Theoretical Physics is on computational examples using the computer program Mathematica in various areas in physics. It is a notebook rather than a textbook. Indeed, the book is just a printout of the Mathematica notebooks included on the CD. The second edition is divided into two volumes, the first covering classical mechanics and nonlinear dynamics, the second dealing with examples in electrodynamics, quantum mechanics, general relativity and fractal geometry. The second volume is not suited for newcomers because basic and simple physical ideas which lead to complex formulas are not explained in detail. Instead, the computer technology makes it possible to write down and manipulate formulas of practically any length. For researchers with experience in computing, the book contains a lot of interesting and non-trivial examples. Most of the examples discussed are standard textbook problems, but the power of Mathematica opens the path to more sophisticated solutions. For example, the exact solution for the perihelion shift of Mercury within general relativity is worked out in detail using elliptic functions. The virial equation of state for molecules' interaction with Lennard-Jones-like potentials is discussed, including both classical and quantum corrections to the second virial coefficient. Interestingly, closed solutions become available using sophisticated computing methods within Mathematica. In my opinion, the textbook should not show formulas in detail which cover three or more pages-these technical data should just be contained on the CD. Instead, the textbook should focus on more detailed explanation of the physical concepts behind the technicalities. The discussion of the virial equation would benefit much from replacing 15 pages of Mathematica output with 15 pages of further explanation and motivation. In this combination, the power of computing merged with physical intuition would

  19. ions

    African Journals Online (AJOL)

    (MP2 B2). In order to draw the final conclusion about the content of the isomers of pentaatomic ions in saturated vapor over cesium chloride, we have taken into account the entropy factor. We considered the isomerization reactions which are given below: Cs3Cl2. + (V-shaped) = Cs3Cl2. + (cyclic or bipyramidal). (1). Cs2Cl3.

  20. Electronic spectra of conjugated polyynes, cumulenes and related systems: A theoretical study

    Czech Academy of Sciences Publication Activity Database

    Zahradník, Rudolf; Srnec, Martin; Havlas, Zdeněk

    2005-01-01

    Roč. 70, - (2005), s. 559-578 ISSN 0010-0765 R&D Projects: GA MŠk LC512 Institutional research plan: CEZ:AV0Z40400503 Keywords : quantum chemical calculations * ab initio calculations * DFT * SAC -CI Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.949, year: 2005

  1. Theoretical and Numerical Properties of a Gyrokinetic Plasma: Issues Related to Transport Time Scale Simulation

    International Nuclear Information System (INIS)

    Lee, W.W.

    2003-01-01

    Particle simulation has played an important role for the recent investigations on turbulence in magnetically confined plasmas. In this paper, theoretical and numerical properties of a gyrokinetic plasma as well as its relationship with magnetohydrodynamics (MHD) are discussed with the ultimate aim of simulating microturbulence in transport time scale using massively parallel computers

  2. Teacher education and its relation to inclusive education: challenges to theoretical experience in pedagogical praxis

    Directory of Open Access Journals (Sweden)

    Valdelúcia Alves da Costa

    2015-05-01

    Full Text Available Considering research results, this paper aims to problematize teachers formation and their relationship with inclusive education, while analyzing challenges to theoretical experience in inclusive pedagogical praxis. Both problematic regarding analysis, turn to a central question: even considering recent advances in processes of teacher formation towards inclusive education, it is still necessary to develop teacher formation in its theoretical dimension, in overcoming pseudo idea that teaching praxis and canonical methods of teaching, to be thought of as an end in themselves, but also sufficient in confronting and overcoming social limits, imposed historically to teachers as human limits. This pedagogical praxis trivializes and / or denies human demand for theoretical formation, which enables both thinking about political investigative role opposed to segregation of students with disabilities in public school and in other social instances. Admitting this formative perspective, by theoretical experience will help in the humanization of teachers and students with and without disabilities, to counter domination and social unconsciousness, marks of class society, attending the public school.

  3. Atom probe field ion microscopy and related topics: A bibliography 1990

    Energy Technology Data Exchange (ETDEWEB)

    Russell, K.F.; Miller, M.K.

    1991-12-01

    This bibliography includes references related to the following topics: atom probe field ion microscopy (APFIM), field ion microscopy (FIM), field emission (FE), ion sources, and field desorption mass microscopy (FDMM). Technique-orientated studies and applications are included. The bibliography covers the period 1990. The references contained in this document were compiled from a variety of sources including computer searches and personal lists of publications. To reduce the length of this document, the references have been reduced to the minimum necessary to locate the articles. The references, listed alphabetically by authors, are subdivided into the categories listed in paragraph one above. An Addendum of references missed in previous bibliographies is included.

  4. Theoretical photoionization spectra in the UV photon energy range for a Mg-like Al{sup +} ion

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Dae-Soung [e-Business Department, Kyonggi Institute of Technology, Siheung, Jungwang-Dong 2121-3, Kyonggi-Do 429-792 (Korea, Republic of); Kim, Young Soon [Department of Physics, Myongji University, San 38-2 Namdong, Cheoin-gu, Yongin, Kyonggi-Do 449-728 (Korea, Republic of)], E-mail: dskim@kinst.ac.kr

    2008-08-28

    In the present work, we report the photoionization cross sections of the Al{sup +} ion calculated for the photon energy range 20-26 eV and 30-50 eV. We have expanded our previous calculation (2007 J. Phys. Soc. Japan 76 014302) with an optimized admixture of the initial ground state 3s{sup 21}S and exited states 3s3p{sup 1,3}P, 3s3d{sup 1,3}D and 3s4s{sup 1,3}S, and obtained significantly improved predictions for the main background and autoionizing resonance structures of the reported experimental spectra. The absolute measurements of the photoionization cross sections of the Al{sup +} ion in these energy ranges have been performed by West et al (2001 Phys. Rev. A 63 052719), and they reported that the prominent peaks around 21 eV were attributed to the effects of the significant influence of the small fraction of the fourth-order radiation with energies around 84 eV from the synchrotron source. In our previous work, the main shape for these cross sections was calculated assuming an admixture of initial 3s{sup 21}S and 3s3p{sup 3}P states, only with a rough overall estimate for the experimental spectra in the photon energy range 20-26 eV, and without these peaks around 21 eV. The report of the experimental assignment attributes these peaks to the excitation of a 2p electron from the core. However, our present results with the new admixture reveal similar peaks without considering the possibility of the core excitation.

  5. Bragg peak and relative biological efficiency of different ions

    Czech Academy of Sciences Publication Activity Database

    Lokajíček st., Miloš; Judas, Libor; Kundrát, Pavel

    2002-01-01

    Roč. 64, Suppl. 1 (2002), S309-S309 ISSN 0167-8140 R&D Projects: GA AV ČR(CZ) KSK4055109 Keywords : Bragg peak * relative biological efficisncy * radiological mechanism Subject RIV: CC - Organic Chemistry Impact factor: 2.838, year: 2002

  6. Ion diffusion related to structure in molten salts

    International Nuclear Information System (INIS)

    Tosi, M.P.

    1996-08-01

    A model first developed by Zwanzig to derive transport coefficients in cold dense fluids directly from the Green-Kubo time correlation formulae allows one to relate macroscopic diffusion coefficients to the local fluid structure. Applications to various ionic diffusion processes in molten salts are reviewed. Consequences of partial structural quenching are also discussed. (author). 28 refs, 3 tabs

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-06-01

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

  8. Theoretical analysis of the multiple resonances for many-level spin systems. The four-level spin system of s electron ions subjected to strong microwave fields

    International Nuclear Information System (INIS)

    Popescu, F.F.; Marica, F.

    1994-01-01

    The analytic steady state solutions of master equation for the density matrix of a multilevel spin system in dilute paramagnetic crystals at high temperature, subjected to strong microwave fields, are discussed. These solutions enable to obtain the populations of the levels, and the microwave powers absorbed or emitted by the crystal, in the presence of one, two or more microwave fields. A detailed theoretical study of the maser effects for s electron ions with nuclear spin one-half is carried out. In the case of three frequency correlated strong fields, when 'the spectroscopic' bridge conditions are fulfilled, sensitive detections, or high efficient generations of microwaves of frequency higher than those of the pumping fields are predicted. (author) 16 figs., 16 refs

  9. A Theoretical Bayesian Game Model for the Vendor-Retailer Relation

    Directory of Open Access Journals (Sweden)

    Emil CRIŞAN

    2012-06-01

    Full Text Available We consider an equilibrated supply chain with two equal partners, a vendor and a retailer (also called newsboy type products supply chain. The actions of each partner are driven by profit. Given the fact that at supply chain level are specific external influences which affect the costs and concordant the profit, we use a game theoretic model for the situation, considering costs and demand. At theoretical level, symmetric and asymmetric information patterns are considered for this situation. There are at every supply chain’s level situations when external factors (such as inflation, raw-material rate influence the situation of each partner even if the information is well shared within the chain. The model we propose considers both the external factors and asymmetric information within a supply chain.

  10. Electronic properties of diphenyl-s-tetrazine and some related oligomers. An spectroscopic and theoretical study

    Energy Technology Data Exchange (ETDEWEB)

    Moral, Monica; Garcia, Gregorio [Departamento de Quimica Fisica y Analitica, Facultad de Ciencias Experimentales, Universidad de Jaen, Campus las Lagunillas, E23071 Jaen (Spain); Penas, Antonio [Departamento de Quimica Inorganica y Organica, Facultad de Ciencias Experimentales, Universidad de Jaen, Campus las Lagunillas, E23071 Jaen (Spain); Garzon, Andres; Granadino-Roldan, Jose M. [Departamento de Quimica Fisica y Analitica, Facultad de Ciencias Experimentales, Universidad de Jaen, Campus las Lagunillas, E23071 Jaen (Spain); Melguizo, Manuel [Departamento de Quimica Inorganica y Organica, Facultad de Ciencias Experimentales, Universidad de Jaen, Campus las Lagunillas, E23071 Jaen (Spain); Fernandez-Gomez, Manuel, E-mail: mfg@ujaen.es [Departamento de Quimica Fisica y Analitica, Facultad de Ciencias Experimentales, Universidad de Jaen, Campus las Lagunillas, E23071 Jaen (Spain)

    2012-10-26

    Highlights: Black-Right-Pointing-Pointer We study properties of Ph{sub 2}Tz and (PhTz){sub n}Ph as candidates for organic electronics. Black-Right-Pointing-Pointer The synthesis of Ph{sub 2}Tz was performed through a modified Pinner-type reaction. Black-Right-Pointing-Pointer IR/Raman spectra allowed to conclude that Ph{sub 2}Tz is nearly planar in liquid phase. Black-Right-Pointing-Pointer Electronic structure was studied by UV-Vis/TD-DFT methods in different solvents. Black-Right-Pointing-Pointer Bandgap, E{sub LUMO}, electron mobility predict some n-type character for limit polymer. -- Abstract: This work presents a theoretical and spectroscopic study on the electronic and structural properties of the diphenyl-s-tetrazine molecule (Ph{sub 2}Tz) and some oligomeric derivatives. Ph{sub 2}Tz was synthesized through a variation of Pinner-type reaction which uses N-acetylcysteine as catalyst. Insight into the structure and electronic properties of the title compound was obtained through IR, Raman, UV-Vis spectra in different solvents, and theoretical calculations. Theoretical studies have been extended to different n-mers derivatives up to an ideal molecular wire through the oligomeric approximation, predicting this way electronic properties such as LUMO energy levels, electron affinity and reorganization energy in order to assess their possible applications in molecular electronics.

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

    International Nuclear Information System (INIS)

    Tiwary, S.N.

    1995-01-01

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

  12. Theoretical investigations of the IO,{sup q+} (q = 2, 3, 4) multi-charged ions: Metastability, characterization and spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Hammami, H. [Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 bd Descartes, 77454 Marne-la-Vallée (France); EMIR, Institut Préparatoire aux Etudes d’Ingénieurs, Monastir (Tunisia); Yazidi, O. [Laboratoire de Spectroscopie Atomique Moléculaire et Applications, Département de Physique, Faculté des Sciences de Tunis, Université de Tunis-El Manar, Le Belvédère, 1060 Tunis (Tunisia); Ben El Hadj Rhouma, M. [EMIR, Institut Préparatoire aux Etudes d’Ingénieurs, Monastir (Tunisia); Al Mogren, M. M. [Chemistry Department, Faculty of Science, King Saud University, PO Box 2455, Riyadh 11451 (Saudi Arabia); Hochlaf, M., E-mail: hochlaf@univ-mlv.fr [Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 bd Descartes, 77454 Marne-la-Vallée (France)

    2014-07-07

    Using ab initio methodology, we studied the IO{sup q+} (q = 2, 3, 4) multi-charged ions. Benchmark computations on the IO(X{sup 2}Π) neutral species allow validate the current procedure. For IO{sup 2+}, several potential wells were found on the ground and the electronic excited states potentials with potential barriers with respect to dissociation, where this dication can exist in the gas phase as long-lived metastable molecules. We confirm hence the recent observation of the dication by mass spectrometry. Moreover, we predict the existence of the metastable IO{sup 3+} trication, where a shallow potential well along the IO internuclear distance is computed. This potential well supports more than 10 vibrational levels. The IO{sup 3+} excited states are repulsive in nature, as well as the computed potentials for the IO{sup 4+} tetracation. For the bound states, we give a set of spectroscopic parameters including excitation transition energies, equilibrium distances, harmonic and anharmonic vibrational terms, and rotational constants. At the MRCI + Q/aug-cc-pV5Z(-PP) level, the adiabatic double and triple ionization energies of IO are computed to be ∼28.1 eV and ∼55.0 eV, respectively.

  13. Theoretical investigations of the IO,q+ (q = 2, 3, 4) multi-charged ions: metastability, characterization and spectroscopy.

    Science.gov (United States)

    Hammami, H; Yazidi, O; Ben El Hadj Rhouma, M; Al Mogren, M M; Hochlaf, M

    2014-07-07

    Using ab initio methodology, we studied the IO(q+) (q = 2, 3, 4) multi-charged ions. Benchmark computations on the IO(X(2)Π) neutral species allow validate the current procedure. For IO(2+), several potential wells were found on the ground and the electronic excited states potentials with potential barriers with respect to dissociation, where this dication can exist in the gas phase as long-lived metastable molecules. We confirm hence the recent observation of the dication by mass spectrometry. Moreover, we predict the existence of the metastable IO(3+) trication, where a shallow potential well along the IO internuclear distance is computed. This potential well supports more than 10 vibrational levels. The IO(3+) excited states are repulsive in nature, as well as the computed potentials for the IO(4+) tetracation. For the bound states, we give a set of spectroscopic parameters including excitation transition energies, equilibrium distances, harmonic and anharmonic vibrational terms, and rotational constants. At the MRCI + Q/aug-cc-pV5Z(-PP) level, the adiabatic double and triple ionization energies of IO are computed to be ~28.1 eV and ~55.0 eV, respectively.

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

    International Nuclear Information System (INIS)

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

    2013-01-01

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

  15. Theoretical and experimental study of the incorporation of tobramycin and strontium-ions into hydroxyapatite by means of co-precipitation

    Science.gov (United States)

    Wang, Baochang; Lilja, Mirjam; Ma, Taoran; Sörensen, Jan; Steckel, Hartwig; Ahuja, Rajeev; Strømme, Maria

    2014-09-01

    Antibiotic incorporation into hydroxyapatite (HA) coatings by co-precipitation and the impact of bone relevant doping elements on the adsorption kinetics are investigated from both theoretical and experimental points of view. Tobramycin interactions with bioactive TiO2 and HA surfaces are analyzed using density functional theory. According to the calculations, the drug molecule has larger adsorption energy than the Ca+ ion on both surfaces under study in Phosphate Buffered Saline (PBS). The results support the experimental observations that HA nucleation and growth are strongly limited on TiO2 surfaces in the presence of clinically relevant antibiotic concentrations in PBS. The drug molecule is more likely to adopt parallel arrangement onto the HA surface, as the adsorption energy of such arrangement is higher compared to a perpendicular one. Strontium substitution of the HA surface is found to results in a weaker drug-surface interaction, and leads also to a decrease in coating thickness. However, the presence of strontium gives rise to a coating morphology with enhanced drug incorporation capacity and slower antibiotic release compared to non-substituted, co-precipitated counterparts. Our theoretical calculation results were found to be in excellent agreement with experimental data and provide a powerful tool to understand the interaction mechanism between drug and different surface chemistries necessary for development of future versatile orthopedic and dental implant surfaces.

  16. Age and Smoking Related Changes in Metal Ion Levels in Human Lens: Implications for Cataract Formation.

    Directory of Open Access Journals (Sweden)

    Alex Langford-Smith

    Full Text Available Age-related cataract formation is the primary cause of blindness worldwide and although treatable by surgical removal of the lens the majority of sufferers have neither the finances nor access to the medical facilities required. Therefore, a better understanding of the pathogenesis of cataract may identify new therapeutic targets to prevent or slow its progression. Cataract incidence is strongly correlated with age and cigarette smoking, factors that are often associated with accumulation of metal ions in other tissues. Therefore this study evaluated the age-related changes in 14 metal ions in 32 post mortem human lenses without known cataract from donors of 11 to 82 years of age by inductively coupled plasma mass spectrometry; smoking-related changes in 10 smokers verses 14 non-smokers were also analysed. A significant age-related increase in selenium and decrease in copper ions was observed for the first time in the lens tissue, where cadmium ion levels were also increased as has been seen previously. Aluminium and vanadium ions were found to be increased in smokers compared to non-smokers (an analysis that has only been carried out before in lenses with cataract. These changes in metal ions, i.e. that occur as a consequence of normal ageing and of smoking, could contribute to cataract formation via induction of oxidative stress pathways, modulation of extracellular matrix structure/function and cellular toxicity. Thus, this study has identified novel changes in metal ions in human lens that could potentially drive the pathology of cataract formation.

  17. Theoretical study of chromium and nickel-related luminescence centers in molecular-sized nanodiamonds

    Czech Academy of Sciences Publication Activity Database

    Kovalenko, Alexander; Záliš, Stanislav; Ashcheulov, Petr; Kraus, I.; Pavluch, J.; Kratochvílová, Irena

    2015-01-01

    Roč. 58, Sep (2015), s. 122-128 ISSN 0925-9635 R&D Projects: GA ČR(CZ) GA15-05095S; GA TA ČR TA04020156; GA MŠk LO1409 EU Projects: European Commission(XE) 238201 - MATCON Grant - others:FUNBIO(XE) CZ.2.16/3.1.00/21568 Institutional support: RVO:68378271 ; RVO:61388955 Keywords : nanodiamond * transition metals diamond impurities * Density Functional Theory Subject RIV: BE - Theoretical Physics Impact factor: 2.125, year: 2015

  18. A theoretical relation between the form factor concept and the fractal description of irregularily shaped particles

    International Nuclear Information System (INIS)

    Naumann, K.H.; Bunz, H.

    1994-04-01

    This report describes a theoretical concept that establishes a complete link between the form factor characterization and the fractal description of irregularily shaped particles. Of central importance is the approximate consideration of hydrodynamic interactions between the primary particles within the framework of the Kirkwood-Riseman theory, resulting in a clear distinction between the geometric and the hydrodynamic radius of the agglomerates. Furthermore, special attention is given to the description of the density decay in the outer regions of the particles. Using connectivity arguments it is shown that the case of particles with very low fractal dimension (e.g. chainlike species) requires a specific treatment. (orig./HP) [de

  19. Vitamin C: an experimental and theoretical study on the gas-phase structure and ion energetics of protonated ascorbic acid.

    Science.gov (United States)

    Ricci, Andreina; Pepi, Federico; Cimino, Paola; Troiani, Anna; Garzoli, Stefania; Salvitti, Chiara; Di Rienzo, Brunella; Barone, Vincenzo

    2016-12-01

    In order to investigate the gas-phase mechanisms of the acid catalyzed degradation of ascorbic acid (AA) to furan, we undertook a mass spectrometric (ESI/TQ/MS) and theoretical investigation at the B3LYP/6-31 + G(d,p) level of theory. The gaseous reactant species, the protonated AA, [C 6 H 8 O 6 ]H + , were generated by electrospray ionization of a 10 -3  M H 2 O/CH 3 OH (1 : 1) AA solution. In order to structurally characterize the gaseous [C 6 H 8 O 6 ]H + ionic reactants, we estimated the proton affinity and the gas-phase basicity of AA by the extended Cooks's kinetic method and by computational methods at the B3LYP/6-31 + G(d,p) level of theory. As expected, computational results identify the carbonyl oxygen atom (O2) of AA as the preferred protonation site. From the experimental proton affinity of 875.0 ± 12 kJ mol -1 and protonation entropy ΔS p 108.9 ± 2 J mol -1  K -1 , a gas-phase basicity value of AA of 842.5 ± 12 kJ mol -1 at 298 K was obtained, which is in agreement with the value issuing from quantum mechanical computations. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  20. Relation between the ion flux and plasma density in an rf CCP discharge

    Science.gov (United States)

    Bogdanova, Maria; Lopaev, Dmitry; Zyryanov, Sergey; Voloshin, Dmitry; Rakhimova, Tatyana

    2018-02-01

    Ion flux and plasma density are some of the most essential parameters for plasma-assisted process control. There is also a simple and well-known relation between them based on the Bohm criterion. This relation allows the avoidance of directly measuring both the ion flux and the plasma density simultaneously, but the question is, how accurate this estimation would be. This work represents the study of the sensitivity of the relation to plasma conditions, such as gas pressure, type of gas and plasma density. The experiments are carried out in an asymmetric rf dual-frequency CCP discharge in noble gases—Ar and Xe—and in molecular gas—N2. The gas pressure is varied from 20 mTorr up to 200 mTorr and the plasma density range is 109 to 5.6 × 1010 cm‑3. Analysis of the experimental data is made by using the 2D PIC MCC model of the ion current collection by a planar electrode. The results show that there is some sensitivity of the relation to the type of gas and pressure, but the dependence of the relation on plasma density turns out to be slight. Therefore, the pressure parameterization of the relation for a certain gas can be used to establish plasma density by measuring ion current to an electrode and vice versa.

  1. A game-theoretical approach for reciprocal security-related prevention investment decisions

    International Nuclear Information System (INIS)

    Reniers, Genserik; Soudan, Karel

    2010-01-01

    Every company situated within a chemical cluster faces important security risks from neighbouring companies. Investing in reciprocal security preventive measures is therefore necessary to avoid major accidents. These investments do not, however, provide a direct return on investment for the investor-company and thus plants are hesitative to invest. Moreover, there is likelihood that even if a company has fully invested in reciprocal security prevention, its neighbour has not, and as a result the company can experience a major accident caused by an initial (minor or major) accident that occurred in an adjacent chemical enterprise. In this article we employ a game-theoretic approach to interpret and model behaviour of two neighbouring chemical plants while negotiating and deciding on reciprocal security prevention investments.

  2. Medium-energy ion reflection from solids

    CERN Document Server

    Mashkova, ES

    1985-01-01

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

  3. Universal relations for reflection of keV light ions from solid targets

    International Nuclear Information System (INIS)

    Morita, K.

    1984-01-01

    By using the single collision approximation (SCA), universal relations including the dependence on the projectile have been derived for the particle- and energy-reflection coefficients of light ions normally incident on elemental targets with energies in the keV region. Expressions for the reflection coefficients for compound or alloy targets have also been obtained in terms of the universal functions in these relations. To confirm the universal relations to a higher approximation, a numerical calculation has been made on the basis of the modified version of the SCA, in which multiple collisions of incident and scattered ions have been taken into account. The calculated values of the particle-reflection coefficient of H, D, T and He ions impinging on C, Ti, W and Au targets, when scaled by the universal relations, lie well on a single curve as a function of the Thomas-Fermi reduced energy of the incident ions. Universal semi-empirical formulas for the reflection coefficients have been obtained by applying the new scaling law to the experimental data compiled. (orig.)

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

    International Nuclear Information System (INIS)

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

    1994-10-01

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

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

    International Nuclear Information System (INIS)

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

    1981-01-01

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

  6. Noncovalent Complexation of Monoamine Neurotransmitters and Related Ammonium Ions by Tetramethoxy Tetraglucosylcalix[4]arene

    Science.gov (United States)

    Torvinen, Mika; Kalenius, Elina; Sansone, Francesco; Casnati, Alessandro; Jänis, Janne

    2012-02-01

    The noncovalent complexation of monoamine neurotransmitters and related ammonium and quaternary ammonium ions by a conformationally flexible tetramethoxy glucosylcalix[4]arene was studied by electrospray ionization Fourier transform ion cyclotron resonance (ESI-FTICR) mass spectrometry. The glucosylcalixarene exhibited highest binding affinity towards serotonin, norepinephrine, epinephrine, and dopamine. Structural properties of the guests, such as the number, location, and type of hydrogen bonding groups, length of the alkyl spacer between the ammonium head-group and the aromatic ring structure, and the degree of nitrogen substitution affected the complexation. Competition experiments and guest-exchange reactions indicated that the hydroxyl groups of guests participate in intermolecular hydrogen bonding with the glucocalixarene.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1994-10-01

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

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

    International Nuclear Information System (INIS)

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

    2004-01-01

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

  9. Susceptible genes and molecular pathways related to heavy ion irradiation in oral squamous cell carcinoma cells

    International Nuclear Information System (INIS)

    Fushimi, Kazuaki; Uzawa, Katsuhiro; Ishigami, Takashi; Yamamoto, Nobuharu; Kawata, Tetsuya; Shibahara, Takahiko; Ito, Hisao; Mizoe, Jun-etsu; Tsujii, Hirohiko; Tanzawa, Hideki

    2008-01-01

    Background and purpose: Heavy ion beams are high linear energy transfer (LET) radiation characterized by a higher relative biologic effectiveness than low LET radiation. The aim of the current study was to determine the difference of gene expression between heavy ion beams and X-rays in oral squamous cell carcinoma (OSCC)-derived cells. Materials and methods: The OSCC cells were irradiated with accelerated carbon or neon ion irradiation or X-rays using three different doses. We sought to identify genes the expression of which is affected by carbon and neon ion irradiation using Affymetrix GeneChip analysis. The identified genes were analyzed using the Ingenuity Pathway Analysis Tool to investigate the functional network and gene ontology. Changes in mRNA expression in the genes were assessed by real-time quantitative reverse transcriptase-polymerase chain reaction (qRT-PCR). Results: The microarray analysis identified 84 genes that were modulated by carbon and neon ion irradiation at all doses in OSCC cells. Among the genes, three genes (TGFBR2, SMURF2, and BMP7) and two genes (CCND1 and E2F3), respectively, were found to be involved in the transforming growth factor β-signaling pathway and cell cycle:G1/S checkpoint regulation pathway. The qRT-PCR data from the five genes after heavy ion irradiation were consistent with the microarray data (P < 0.01). Conclusion: Our findings should serve as a basis for global characterization of radiation-regulated genes and pathways in heavy ion-irradiated OSCC

  10. Theoretical and experimental study of the incorporation of tobramycin and strontium-ions into hydroxyapatite by means of co-precipitation

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Baochang [Applied Materials Physics, Department of Materials and Engineering, Royal Institute of Technology (KTH), S 100 44 Stockholm (Sweden); Lilja, Mirjam, E-mail: mirjam.lilja@sandvik.com [Division for Nanotechnology and Functional Materials, The Ångström Laboratory, Uppsala University, 751 21 Uppsala (Sweden); Sandvik Coromant Sverige AB, 12680 Stockholm (Sweden); Ma, Taoran [Applied Materials Physics, Department of Materials and Engineering, Royal Institute of Technology (KTH), S 100 44 Stockholm (Sweden); Sörensen, Jan; Steckel, Hartwig [Department of Pharmaceutics and Biopharmaceutics, Christian Albrecht University Kiel, Kiel (Germany); Ahuja, Rajeev [Condensed Matter Theory, Uppala University (Sweden); Strømme, Maria, E-mail: maria.stromme@angstrom.uu.se [Division for Nanotechnology and Functional Materials, The Ångström Laboratory, Uppsala University, 751 21 Uppsala (Sweden)

    2014-09-30

    Highlights: • We investigate incorporation of tobramycin into hydroxyapatite using co-precipitation by theory and experiment. • The drug molecule shows larger adsorption energy on a submicron HA surface compared to a TiO{sub 2} surface. • Strontium substitution allows for production of thinner coatings with enhanced drug incorporation capacity. - Abstract: Antibiotic incorporation into hydroxyapatite (HA) coatings by co-precipitation and the impact of bone relevant doping elements on the adsorption kinetics are investigated from both theoretical and experimental points of view. Tobramycin interactions with bioactive TiO{sub 2} and HA surfaces are analyzed using density functional theory. According to the calculations, the drug molecule has larger adsorption energy than the Ca{sup +} ion on both surfaces under study in Phosphate Buffered Saline (PBS). The results support the experimental observations that HA nucleation and growth are strongly limited on TiO{sub 2} surfaces in the presence of clinically relevant antibiotic concentrations in PBS. The drug molecule is more likely to adopt parallel arrangement onto the HA surface, as the adsorption energy of such arrangement is higher compared to a perpendicular one. Strontium substitution of the HA surface is found to results in a weaker drug–surface interaction, and leads also to a decrease in coating thickness. However, the presence of strontium gives rise to a coating morphology with enhanced drug incorporation capacity and slower antibiotic release compared to non-substituted, co-precipitated counterparts. Our theoretical calculation results were found to be in excellent agreement with experimental data and provide a powerful tool to understand the interaction mechanism between drug and different surface chemistries necessary for development of future versatile orthopedic and dental implant surfaces.

  11. Relative ion yields in mammalian cell components using C60 SIMS

    Science.gov (United States)

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

    2013-01-01

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

  12. Affinity of Smectite and Divalent Metal Ions (Mg(2+), Ca(2+), Cu(2+)) with L-leucine: An Experimental and Theoretical Approach Relevant to Astrobiology.

    Science.gov (United States)

    Pandey, Pramod; Pant, Chandra Kala; Gururani, Kavita; Arora, Priyanka; Pandey, Neetu; Bhatt, Preeti; Sharma, Yogesh; Negi, Jagmohan Singh; Mehata, Mohan Singh

    2015-12-01

    Earth is the only known planet bestowed with life. Several attempts have been made to explore the pathways of the origin of life on planet Earth. The search for the chemistry which gave rise to life has given answers related to the formation of biomonomers, and their adsorption on solid surfaces has gained much attention for the catalysis and stabilization processes related to the abiotic chemical evolution of the complex molecules of life. In this communication, surface interactions of L-leucine (Leu) on smectite (SMT) group of clay (viz. bentonite and montmorillonite) and their divalent metal ion (Mg(2+), Ca(2+) and Cu(2+)) incorporated on SMT has been studied to find the optimal conditions of time, pH, and concentration at ambient temperature (298 K). The progress of adsorption was followed spectrophotometrically and further characterized by FTIR, SEM/EDS and XRD. Leu, a neutral/non polar amino acid, was found to have more affinity in its zwitterionic form towards Cu(2+)- exchanged SMT and minimal affinity for Mg(2+)- exchanged SMT. The vibrational frequency shifts of -NH3 (+) and -COO(-) favor Van der Waal's forces during the course of surface interaction. Quantum calculations using density functional theory (DFT) have been applied to investigate the absolute value of metal ion affinities of Leu (Leu-M(2+) complex, M = Mg(2+), Ca(2+), Cu(2+)) with the help of their physico-chemical parameters. The hydration effect on the relative stability and geometry of the individual species of Leu-M(2+) × (H2O)n, (n =2 and 4) has also been evaluated within the supermolecule approach. Evidence gathered from investigations of surface interactions, divalent metal ions affinities and hydration effects with biomolecules may be important for better understanding of chemical evolution, the stabilization of biomolecules on solid surfaces and biomolecular-metal interactions. These results may have implications for understanding the origin of life and the preservation of

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

    Czech Academy of Sciences Publication Activity Database

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

    2001-01-01

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

  14. Marketing Industrial Project-Related Services: A Literature Review and Theoretical Synthesis

    DEFF Research Database (Denmark)

    Skaates, Maria Anne; Cova, Bernard

    2002-01-01

    that specifically deal with project-related services are listed as the result of a study of the English-, French-, German, Italian-, and 'Nordic'-language academic literature. They are then assessed in relation to services versus project marketing theory. The analysis shows that the project marketing concepts......Services are a growing part of projects in the context of the international trend towards solution buying and selling on business-to-business markets. Furthermore services are often a key source of competitive advantage in project business. However companies selling project-related services often...... feel uneasy in developing a coherent marketing approach. Therefore the first aim of this paper is to critically scrutinise the intuitive hypothesis that the marketing of project-related services lies somewhere at the crossroads between services marketing and project marketing. In order to address...

  15. The Concept of State Identity in International Relations : A Theoretical Analysis 【Article】

    OpenAIRE

    Alexandrov, Maxym

    2003-01-01

    The identity problematique is fast moving to the core of the research agenda of international relations discipline, and the concept of state identity has now become a permanent feature of the constructivist discourse. This paper identifies four problems attendant upon the introduction of the state identity con-cept to international relations theory. Firstly, the relationship between state identity and other importantconcepts of constructivist argument is underspecified. Secondly, the question...

  16. Relative Performance Payment in Cooperatives – A Model-Theoretical Analysis

    OpenAIRE

    Zieseniss, Roland; Kuehl, Rainer

    2013-01-01

    Governing the cooperatives’ management by payment systems turns out to be a non-trivial problem due to the specific characteristics of the legal structure. Evaluating the management’s performance is complicated by the business relations between members and their cooperative. A relative performance payment can make a significant contribution to the reduction of target inconsistencies between the members and the management of cooperatives. It is based on the idea that for evaluating the perform...

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

    International Nuclear Information System (INIS)

    Ross, D.W.

    1990-09-01

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

  18. Relating Theory and Practice in Laboratory Work: A Variation Theoretical Study

    Science.gov (United States)

    Eckerdal, Anna

    2015-01-01

    Computer programming education has practice-oriented as well as theory-oriented learning goals. Here, lab work plays an important role in students' learning. It is however widely reported that many students face great difficulties in learning theory as well as practice. This paper investigates the important but problematic relation between the…

  19. Theoretical and Ideological Framing: Relative Change Theory and Its Application to Humanitarianism in Education Development

    Science.gov (United States)

    Omwami, Edith Mukudi

    2012-01-01

    This paper proposes relative change theory as an alternative to the common theories used in examining education sector development in the developing regions of the world. The theory specifically seeks to explain the persisting limited impact of development aid efforts. It departs from the Marxist informed dependency and world-systems approach in…

  20. A Theoretical Framework of the Relation between Socioeconomic Status and Academic Achievement of Students

    Science.gov (United States)

    Lam, Gigi

    2014-01-01

    A socio-psychological analytical framework will be adopted to illuminate the relation between socioeconomic status and academic achievement. The framework puts the emphasis to incorporate micro familial factors into macro factor of the tracking system. Initially, children of the poor families always lack major prerequisite: diminution of cognitive…

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

    Indian Academy of Sciences (India)

    conventional systems, there is a need to look into the basics of this field as their qualitative comparison may pave the way to facilitate understanding about occurrence of the photonic band gap (PBG). We are motivated to compute the variations of relative width (∆ω/ω0) as a function of refractive index contrast (na/n b.

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

    KAUST Repository

    Tilbrook, Joanne

    2017-09-27

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-11-15

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

  4. The speed of gravity in general relativity and theoretical interpretation of the Jovian deflection experiment

    International Nuclear Information System (INIS)

    Kopeikin, Sergei M

    2004-01-01

    According to Einstein, the notions of geodesic, parallel transport (affine connection) and curvature of the spacetime manifold have a pure geometric origin and do not correlate with any electromagnetic concepts. At the same time, curvature is generated by matter which is not affiliated with the spacetime geometric concepts. For this reason, the fundamental constant c entering the geometric and matter sectors of the general theory of relativity has different conceptual meanings. Specifically, the letter c on the left-hand side of the Einstein equations (geometric sector) entering the Christoffel symbols and its time derivatives is the ultimate speed of gravity characterizing the upper limit on the speed of its propagation as well as the maximal rate of change of time derivatives of the metric tensor, that is gravitational field. The letter c on the right-hand side of the Einstein equations (matter sector) is the maximal speed of propagation of any other field rather than gravity. Einstein's general principle of relativity extends his principle of special relativity and equates the numerical value of the ultimate speed of gravity to that of the speed of light in the special theory of relativity but this general principle must be tested experimentally. To this end, we work out the speed of gravity parametrization of the Einstein equations (c g -parametrization) to keep track of the time-dependent effects associated with the geometric sector of general relativity and to separate them from the time-dependent effects of the matter sector. Parametrized post-Newtonian (PPN) approximation of the Einstein equations is derived in order to explain the gravitational physics of the Jovian deflection VLBI experiment conducted on 8 September 2002. The post-Newtonian series expansion in the c g -parametrized general relativity is with respect to a small parameter that is proportional to the ratio of the characteristic velocity of the bodies to the speed of propagation of the

  5. Measuring The Theoretical Paradigm Shift From Marketing Mix To Relational Marketing

    OpenAIRE

    Dean R. Manna; Alan D. Smith

    2011-01-01

    Much has been written in the recent marketing literature on the perceived importance of moving from a transaction basis to a long-term relationship basis in terms of personal selling. Since the traditional marketing mix paradigm has dominated marketing philosophy for so long, many perceive there is a marketing shift, especially in service marketing, to the relational marketing paradigm. A sales force from five industries, representing primarily service industries (n=142), were tested on a num...

  6. Case report and theoretical description of accelerated resolution therapy (ART) for military-related post-traumatic stress disorder.

    Science.gov (United States)

    Kip, Kevin E; Shuman, Amy; Hernandez, Diego F; Diamond, David M; Rosenzweig, Laney

    2014-01-01

    This article describes a new, brief exposure-based psychotherapy known as Accelerated Resolution Therapy (ART) that is currently being evaluated as a treatment for combat-related post-traumatic stress disorder (PTSD). We describe a case report of an Army veteran with combat-related PTSD who was treated with 2 sessions of ART and experienced significant clinical improvement. We then discuss the theoretical basis and major components of the ART protocol, including use of lateral left-right eye movements, and differentiate ART with evidence-based psychotherapies currently endorsed by the Department of Defense and Veterans Administration. The number of military personnel who have served in the wars in Iraq and Afghanistan and are afflicted with PTSD is likely in the hundreds of thousands. The ART protocol, which is delivered in 2 to 5 sessions and without homework, uses the psychotherapeutic practices of imaginal exposure and imagery rescripting (IR) facilitated through sets of eye movements. In addition to its brevity, a novel component of ART is use of IR to "replace" negative imagery (and other sensations) with positive imagery. This theoretical description of ART and single case report provide a rationale for future formal evaluation of ART for treatment of military-related PTSD. Reprint & Copyright © 2014 Association of Military Surgeons of the U.S.

  7. Quantification of the Relative Biological Effectiveness for Ion Beam Radiotherapy: Direct Experimental Comparison of Proton and Carbon Ion Beams and a Novel Approach for Treatment Planning

    International Nuclear Information System (INIS)

    Elsaesser, Thilo; Weyrather, Wilma K.; Friedrich, Thomas; Durante, Marco; Iancu, Gheorghe; Kraemer, Michael; Kragl, Gabriele; Brons, Stephan; Winter, Marcus; Weber, Klaus-Josef; Scholz, Michael

    2010-01-01

    Purpose: To present the first direct experimental in vitro comparison of the biological effectiveness of range-equivalent protons and carbon ion beams for Chinese hamster ovary cells exposed in a three-dimensional phantom using a pencil beam scanning technique and to compare the experimental data with a novel biophysical model. Methods and Materials: Cell survival was measured in the phantom after irradiation with two opposing fields, thus mimicking the typical patient treatment scenario. The novel biophysical model represents a substantial extension of the local effect model, previously used for treatment planning in carbon ion therapy for more than 400 patients, and potentially can be used to predict effectiveness of all ion species relevant for radiotherapy. A key feature of the new approach is the more sophisticated consideration of spatially correlated damage induced by ion irradiation. Results: The experimental data obtained for Chinese hamster ovary cells clearly demonstrate that higher cell killing is achieved in the target region with carbon ions as compared with protons when the effects in the entrance channel are comparable. The model predictions demonstrate agreement with these experimental data and with data obtained with helium ions under similar conditions. Good agreement is also achieved with relative biological effectiveness values reported in the literature for other cell lines for monoenergetic proton, helium, and carbon ions. Conclusion: Both the experimental data and the new modeling approach are supportive of the advantages of carbon ions as compared with protons for treatment-like field configurations. Because the model predicts the effectiveness for several ion species with similar accuracy, it represents a powerful tool for further optimization and utilization of the potential of ion beams in tumor therapy.

  8. Mosaicism in ATP1A3-related disorders: not just a theoretical risk.

    Science.gov (United States)

    Hully, Marie; Ropars, Juliette; Hubert, Laurence; Boddaert, Nathalie; Rio, Marlene; Bernardelli, Mathieu; Desguerre, Isabelle; Cormier-Daire, Valerie; Munnich, Arnold; de Lonlay, Pascale; Reilly, Louise; Besmond, Claude; Bahi-Buisson, Nadia

    2017-01-01

    Mutations in ATP1A3 are involved in a large spectrum of neurological disorders, including rapid onset dystonia parkinsonism (RDP), alternating hemiplegia of childhood (AHC), and cerebellar ataxia, pes cavus, optic atrophy, and sensorineural hearing loss (CAPOS), with recent descriptions of overlapping phenotypes. In AHC, a few familial cases of autosomal dominant inheritance have been reported, along with cases of de novo sporadic mutations. In contrast, autosomal dominant inheritance has frequently been associated with RDP and CAPOS. Here, we report on two unrelated sets of full siblings with ATP1A3 mutations, (c.2116G>A) p. Gly706Arg in the first family, and (c.2266C>T) p. Arg756Cys in the second family, presenting with familial recurrence of the disease. Both families displayed parental germline mosaicism. In the first family, the brother and sister presented with severe intellectual deficiency, early onset pharmacoresistant epilepsy, ataxia, and autistic features. In the second family, both sisters demonstrated severe encephalopathy with ataxia and dystonia following a regression episode during a febrile episode during infancy. To our knowledge, mosaicism has not previously been reported in ATP1A3-related disorders. This report, therefore, provides evidence that germline mosaicism for ATP1A3 mutations is a likely explanation for familial recurrence and should be considered during recurrence risk counseling for families of children with ATP1A3-related disorders.

  9. Investigating Theoretical PV Energy Generation Patterns with Their Relation to the Power Load Curve in Poland

    Directory of Open Access Journals (Sweden)

    Jakub Jurasz

    2016-01-01

    Full Text Available Polish energy sector is (almost from its origin dominated by fossil fuel feed power. This situation results from an abundance of relatively cheap coal (hard and lignite. Brown coal due to its nature is the cheapest energy source in Poland. However, hard coal which fuels 60% of polish power plants is picking up on prices and is susceptible to the coal imported from neighboring countries. Forced by the European Union (EU regulations, Poland is struggling at achieving its goal of reaching 15% of energy consumption from renewable energy sources (RES by 2020. Over the year 2015, RES covered 11.3% of gross energy consumption but this generation was dominated by solid biomass (over 80%. The aim of this paper was to answer the following research questions: What is the relation of irradiation values to the power load on a yearly and daily basis? and how should photovoltaics (PV be integrated in the polish power system? Conducted analysis allowed us to state that there exists a negative correlation between power demand and irradiation values on a yearly basis, but this is likely to change in the future. Secondly, on average, daily values of irradiation tend to follow power load curve over the first hours of the day.

  10. A theoretical study on the relative standard deviation of TLD systems

    International Nuclear Information System (INIS)

    Zarand, P.; Polgar, I.

    1983-01-01

    The relative standard deviation of a thermoluminescence dosimetry system is discussed. According to the present results if dosimeters are irradiated with a known dose, then the relative standard deviation of the reading at a given dose value may be described as sigmasub(R)/R = (A 2 /D 2 + B 2 + C/D)sup(0.5) in both the photon counting and in the more often used charge integrating method. The variation of the background dark current + zero dose reading is dependent on the reader properties, on the accuracy of the irradiation of dosemeters, etc. All steps of the TL measurements are of statistical nature; the whole system being a chain of statistical multiplicative devices. This formula is therefore derived by using the momentum generating functions of the appropriate distributions of the various physical processes involved in TL dosimetry. The effects of photomultiplication and the background correction are also discussed by this method. The different behaviour of various TLD systems in the low-dose range is explained by the model given by the authors. (orig.)

  11. InternatIonalIzatIon or natIonalIzatIon by CommunICatIon? the InternatIonal CommunICatIon relatIons of the German suffraGe movement

    OpenAIRE

    Kinnebrock, Susanne

    2011-01-01

    The women’s movements of the late nineteenth and early twentieth century were closely connected by a network of manifold communication relations. To analyze the development of social movements and their transnational communication in a systematic way this article presents an analytical framework and then applies it to the German suffrage movement. Considering different stages of domestic social movements (initial phase, organizational phase, phase of establishment) and different types of medi...

  12. PREFACE: XXIXth Spanish Relativity Meeting (ERE 2006): Einstein's Legacy: from the Theoretical Paradise to Astrophysical Observations

    Science.gov (United States)

    Apostolopoulos, P.; Bona, C.; Carot, J.; Mas, Ll; Sintes, A. M.; Stela, J.

    2007-06-01

    These are exciting times for any scientist working on relativity, cosmology and/or gravitation. The contents of this volume correspond to the 2006 Spanish Relativity Meeting, held at Palma de Mallorca. Since the 2005 meeting, which took place in Oviedo, many important developments have taken place in this area of knowledge. Take for instance the numerical relativity community, my own subject. During the past year, we achieved long-term numerical simulations of binary-black-hole systems. For the first time, we managed to extract the gravitational wave profiles for different configurations of these important astrophysical systems. This was a real milestone because binary-black-holes are the most likely candidates for sources of gravitational waves that could be detected by ground-based interferometric facilities like LIGO or VIRGO. This is not just an elaborate claim. We have actually started to generate a library of BBH gravitational wave patterns that can be used as templates for matched filtering of the experimental data. Concerning the big experimental projects themselves, the Franco-Italian collaboration VIRGO had just finished the engineering runs and was then ready to start taking scientific data in the autumn, just after the closure of the Meeting. The American project LIGO, in turn, during that year performed its 5th science run, achieving its design sensitivity. So the hunt for gravitational wave signals has really started in earnest. Another great achievement is that after two decades of anticipation, we are finally in the position of analyzing real data to the expected accuracy. The quality of the data is greatly improved by running in coincidence both the Pacific and the Atlantic LIGO sites plus the German facility GEO600. You may wonder how the data analysis task force has not drowned in the huge amount of data! In mentioning vasty quantities of experimental data, let me point out here the recent release of the results from the analysis of the full

  13. Theoretical implications of the galactic radial acceleration relation of McGaugh, Lelli, and Schombert

    Science.gov (United States)

    Nesbet, Robert K.

    2018-03-01

    Velocities in stable circular orbits about galaxies, a measure of centripetal gravitation, exceed the expected Kepler/Newton velocity as orbital radius increases. Standard LCDM attributes this anomaly to galactic dark matter. McGaugh et al have recently shown for 153 disc galaxies that observed radial acceleration is an apparently universal function of classical acceleration computed for observed galactic baryonic mass density. This is consistent with the empirical MOND model, not requiring dark matter. It is shown here that suitably constrained LCDM and conformal gravity (CG) also produce such a universal correlation function. LCDM requires a very specific dark matter distribution, while the implied CG nonclassical acceleration must be independent of galactic mass. All three constrained radial acceleration functions agree with the empirical baryonic v4 Tully-Fisher relation. Accurate rotation data in the nominally flat velocity range could distinguish between MOND, LCDM, and conformal gravity.

  14. Integral constitutive relation for the investigation of ion Bernstein waves in non-homogeneous plasmas

    International Nuclear Information System (INIS)

    Brambilla, M.

    1991-01-01

    By integrating the linearized Vlasov equation, an integral form is derived of the constitutive relation (the relation between the h.f. electric field E and the h.f. current J) valid to all order in the Larmor radius in inhomogeneous plasmas with gradients perpendicular to the static magnetic field. It has the form of a convolution integral in fourier K perpendicular -space, whose kernel can be expanded in Bessel functions, or put in a form analogous to the Gordeev integral form of the usual uniform plasma conductivity tensor, to which it reduces in the uniform plasma limit. Alternatively, it can be formulated as an integral equation in real space. Both formulations can be useful for the investigation of ion Bernstein waves near ion cyclotron resonances and near the Lower Hybrid resonance, where a WKB analysis alone is insufficient. (author)

  15. Integral constitutive relation for the investigation of ion Bernstein waves in non-homogeneous plasmas

    International Nuclear Information System (INIS)

    Brambilla, M.

    1989-01-01

    By integrating the linearised Vlasov equation, we derive an integral form of the constitutive relation (the relation between the h.f. electric field E → and the h.f. current J → ) valid to all orders in the Larmor radius in axially magnetised inhomogeneous plasmas. It has the form of a convolution integral in Fourier k → perpendicular to -space, whose kernel can be expanded in Bessel functions, or put in a form analogous to the Gordeev integral form of the usual uniform plasma conductivity tensor, to which it reduces in the uniform plasma limit. Alternatively, it can be formulated as an integral equation in real space. Both formulations can be useful for the investigation of ion Bernstein waves near ion cyclotron resonances and near the lower hybrid resonance, where a WKB analysis alone is insufficient. (orig.)

  16. Relation between the ion size and pore size for an electric double-layer capacitor.

    Science.gov (United States)

    Largeot, Celine; Portet, Cristelle; Chmiola, John; Taberna, Pierre-Louis; Gogotsi, Yury; Simon, Patrice

    2008-03-05

    The research on electrochemical double layer capacitors (EDLC), also known as supercapacitors or ultracapacitors, is quickly expanding because their power delivery performance fills the gap between dielectric capacitors and traditional batteries. However, many fundamental questions, such as the relations between the pore size of carbon electrodes, ion size of the electrolyte, and the capacitance have not yet been fully answered. We show that the pore size leading to the maximum double-layer capacitance of a TiC-derived carbon electrode in a solvent-free ethyl-methylimmidazolium-bis(trifluoro-methane-sulfonyl)imide (EMI-TFSI) ionic liquid is roughly equal to the ion size (approximately 0.7 nm). The capacitance values of TiC-CDC produced at 500 degrees C are more than 160 F/g and 85 F/cm(3) at 60 degrees C, while standard activated carbons with larger pores and a broader pore size distribution present capacitance values lower than 100 F/g and 50 F/cm(3) in ionic liquids. A significant drop in capacitance has been observed in pores that were larger or smaller than the ion size by just an angstrom, suggesting that the pore size must be tuned with sub-angstrom accuracy when selecting a carbon/ion couple. This work suggests a general approach to EDLC design leading to the maximum energy density, which has been now proved for both solvated organic salts and solvent-free liquid electrolytes.

  17. Dispersion relation approach to sub-barrier heavy ion fusion reactions

    International Nuclear Information System (INIS)

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

    1986-07-01

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

  18. On the relation of the theoretical foundations of quantum theory and general relativity theory; Ueber die Beziehung der begrifflichen Grundlagen der Quantentheorie und der Allgemeinen Relativitaetstheorie

    Energy Technology Data Exchange (ETDEWEB)

    Kober, Martin

    2010-07-01

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

  19. Theoretical implications of the galactic radial acceleration relation of McGaugh, Lelli, and Schombert

    Science.gov (United States)

    Nesbet, Robert K.

    2018-05-01

    Velocities in stable circular orbits about galaxies, a measure of centripetal gravitation, exceed the expected Kepler/Newton velocity as orbital radius increases. Standard Λ cold dark matter (ΛCDM) attributes this anomaly to galactic dark matter. McGaugh et al. have recently shown for 153 disc galaxies that observed radial acceleration is an apparently universal function of classical acceleration computed for observed galactic baryonic mass density. This is consistent with the empirical modified Newtonian dynamics (MOND) model, not requiring dark matter. It is shown here that suitably constrained ΛCDM and conformal gravity (CG) also produce such a universal correlation function. ΛCDM requires a very specific dark matter distribution, while the implied CG non-classical acceleration must be independent of galactic mass. All three constrained radial acceleration functions agree with the empirical baryonic v4 Tully-Fisher relation. Accurate rotation data in the nominally flat velocity range could distinguish between MOND, ΛCDM, and CG.

  20. Center for Theoretical Underground Physics and Related Fields. CETUP2015/ Particle Physics and Cosmology Conference. PPC2015)

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-02-22

    For last five years Center for Theoretical Underground Physics and Related Areas (CETUP*) serves as a collaboration point for scientists from around the world interested in theoretical and experimental aspects of underground science. The mission of CETUP* is to promote an organized research in physics, astrophysics, geoscience, geomicrobiology and other fields related to the underground science and provide a stimulating environment for creative thinking and open communication between researches of varying ages and nationalities in dynamic atmosphere of intense scientific interactions. Scientists invited to participate in the program will not only provide theoretical support to the underground science, but they will also examine core questions of the 21st century including: What is dark matter? How well do we know the neutrino parameters?, How have neutrinos shaped the evolution of the universe?, How were the heavy elements made?, What are the fundamental underlying symmetries of the Universe? Is there a Grand Unified Theory of the Universe? How do supernovae explode? Studies of Neutrino Physics and Dark Matter are of high interest to particle and nuclear physicists, astrophysicists and cosmologists. Ongoing and proposed Neutrino and Dark Matter experiments are expected to unveil the answers to fundamental questions about the Universe. This year summer program was focused exactly on these subjects bringing together experts in dark matter, neutrino physics, particle physics, nuclear physics and astrophysics and cosmology. CETUP*2015 consisted of 5 week long program (June 14 – July 18, 2015) covering various theoretical and experimental aspects in these research areas. The two week long session on Dark Matter physics (June 14 – June 26) was followed by two week long program on Neutrino physics (July 6 – July 18). The international conference entitled IXth International Conference on Interconnection Between Particle Physics and Cosmology (PPC) was hosted at CETUP

  1. Is posture-related craniospinal compliance shift caused by jugular vein collapse? A theoretical analysis.

    Science.gov (United States)

    Gehlen, Manuel; Kurtcuoglu, Vartan; Schmid Daners, Marianne

    2017-02-16

    Postural changes are related to changes in cerebrospinal fluid (CSF) dynamics. While sitting up leads to a decrease in cranial CSF pressure, it also causes shifts in the craniospinal CSF volume and compliance distribution. We hypothesized that jugular vein collapse in upright posture is a major contributor to these shifts in CSF volume and compliance. To test this hypothesis, we implemented a mathematical lumped-parameter model of the CSF system and the relevant parts of the cardiovascular system. In this model, the CSF and the venous system are each divided into a cranial and a spinal part. The pressures in these cranial and spinal portions differ by the posture-dependent hydrostatic pressure columns in the connecting vessels. Jugular collapse is represented by a reduction of the hydrostatic pressure difference between cranial and spinal veins. The CSF pressure-volume relationship is implemented as a function of the local CSF to venous pressure gradient. This implies that an increase in CSF volume leads to a simultaneous displacement of blood from adjacent veins. CSF pulsations driven by the cardiovascular system are introduced through a pulsating cranial arterial volume. In upright posture, the implemented CSF pressure-volume relationship shifts to lower cranial CSF pressures compared to the horizontal position, leading to a decrease in cranial CSF pressure when sitting up. Concurrently, the compliance of the spinal compartment decreases while the one of the cranial compartment increases. With this, in upright posture only 10% of the CSF system's compliance is provided by the spinal compartment compared to 35% in horizontal posture. This reduction in spinal compliance is accompanied by a caudal shift of CSF volume. Also, the ability of the spinal CSF compartment to compensate for cerebral arterial volume pulsations reduces in upright posture, which in turn reduces the calculated craniospinal CSF flow pulsations. The mathematical model enabled us to isolate the

  2. The ion cyclotron turbulence generated by a low frequency kinetic Alfven wave, and the related turbulent heating of ions

    Science.gov (United States)

    Mykhaylenko, Volodymyr S.; Mykhaylenko, Volodymyr V.; Lee, Hae June

    2017-10-01

    The ion cyclotron instability driven by the strong kinetic Alfven wave is investigated as a possible source of the anisotropic heating of ions in the coronal holes and solar wind. We present a novel model of a plasma with coupled inhomogeneous current and the sheared flow, which follows from the studies of the particles motion in the electric field of the kinetic Alfven wave of the finite wavelength. The investigation is performed employing the non-modal kinetic theory grounded on the shearing modes approach. The solution of the governing linear integral equation for the perturbed potential displays that the flow velocity shear, which for the corona conditions may be above the growth rate of the ion cyclotron instability in plasma with steady current, changes the exponential growth of the ion cyclotron potential on the power function of time, that impedes the growth of the unstable ion cyclotron wave and reduces the turbulent heating rate of ions across the magnetic field. This work was funded by National R&D Program through the National Research Foundation of Korea (NRF) (Grant No. NRF-2015R1D1A1A01061160).

  3. Dealing with grief related to loss by death and chronic pain: An integrated theoretical framework. Part 1

    Directory of Open Access Journals (Sweden)

    Bodil Furnes

    2010-05-01

    Full Text Available Bodil Furnes, Elin DysvikUniversity of Stavanger, Faculty of Social Sciences, Department of Health Studies, Stavanger, NorwayObjective: Based on the present authors’ research and several approaches to grief related to loss by death and nonmalignant chronic pain, the paper suggests a new integrated theoretical framework for intervention in clinical settings.Methods: An open qualitative review of the literature on grief theories was performed searching for a new integrated approach in the phenomenological tradition. We then investigated the relationship between grief, loss and chronic nonmalignant pain, looking for main themes and connections and how these could be best understood in a more holistic manner.Results: Two main themes were formulated, “relearning the world” and “adaptation”. Between these themes a continuous movement emerged involving experience such as: “despair and hope”, “lack of understanding and insight”, “meaning disruption and increased meaning”, and “bodily discomfort and reintegrated body”. These were identified as paired subthemes.Conclusions: Grief as a distinctive experience means that health care must be aimed at each individual experience and situation. Grief experience and working with grief are considered in terms of relearning the world while walking backwards and living forwards, as described in our integrated model. We consider that this theoretical framework regarding grief should offer an integrated foundation for health care workers who are working with people experiencing grief caused by death or chronic pain.Keywords: health care, loss, grief

  4. Molecular ions, Rydberg spectroscopy and dynamics

    International Nuclear Information System (INIS)

    Jungen, Ch.

    2015-01-01

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

  5. Molecular ions, Rydberg spectroscopy and dynamics

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-01-22

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1992-01-01

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

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

    International Nuclear Information System (INIS)

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

    1975-08-01

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

  8. Thermoluminescent relative efficiencies of TLD-100 for nitrogen ions respect of gamma radiation; Eficiencias termoluminiscentes relativas de TLD-100 para iones de nitrogeno respecto de radiacion gamma

    Energy Technology Data Exchange (ETDEWEB)

    Concha S, K. [UNAM, Facultad de Ciencias, 04510 Mexico D.F. (Mexico); Avila, O. [ININ, 52045 Ocoyoacac, Estado de Mexico (Mexico); Gamboa de Buen, I. [ICN-UNAM, 04510 Mexico D.F. (Mexico); Rodriguez V, M.; Buenfil, A.E.; Ruiz T, C.; Brandan, M.E. [IFUNAM, 04510 Mexico D.F. (Mexico)

    2004-07-01

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

  9. Lipophilicity of acetylcholine and related ions examined by ion transfer voltammetry at a polarized room-temperature ionic liquid membrane

    Czech Academy of Sciences Publication Activity Database

    Langmaier, Jan; Záliš, Stanislav; Samec, Zdeněk

    2018-01-01

    Roč. 815, APR 2018 (2018), s. 183-188 ISSN 1572-6657 R&D Projects: GA ČR(CZ) GA15-03139S; GA ČR(CZ) GA17-05387S Institutional support: RVO:61388955 Keywords : acetylcholine * choline * ion transfer voltammetry Subject RIV: CG - Electrochemistry OBOR OECD: Electrochemistry (dry cells, batteries, fuel cells, corrosion metals, electrolysis) Impact factor: 3.012, year: 2016

  10. Solar-minimum quiet time ion energization and outflow in dynamic boundary related coordinates

    Science.gov (United States)

    Peterson, W. K.; Andersson, L.; Callahan, B. C.; Collin, H. L.; Scudder, J. D.; Yau, A. W.

    2008-07-01

    We report hemispheric average fluxes and energies of outflowing energetic (0.015 < E/q < 33 keV) H+, O+, and He+ ions in dynamic boundary-related coordinates, from observations obtained by the Polar/TIMAS instrument near 6000 km altitude in the southern hemisphere during quiet geomagnetic intervals at solar minimum. We discuss our observations in terms of known energization and transport processes. We find that only a small fraction of energetic ions escape from the ionosphere directly into the polar cap and at quiet times the characteristic energies of escaping H+ are between 30 and 300 eV in the cusp region and between 30 eV and 1.2 keV in the midnight sector. For O+ we conclude the characteristic energy in the cusp is ˜100 eV and between 150 and 600 eV in the midnight sector. Our data suggest that the relative energization and acceleration of O+ is significantly different in the noon quadrant. The observations and analysis presented here also suggest that O+ has activity dependent transport paths from the ionosphere to the ring current that have not previously been identified.

  11. Verifying Heisenberg's error-disturbance relation using a single trapped ion.

    Science.gov (United States)

    Zhou, Fei; Yan, Leilei; Gong, Shijie; Ma, Zhihao; He, Jiuzhou; Xiong, Taiping; Chen, Liang; Yang, Wanli; Feng, Mang; Vedral, Vlatko

    2016-10-01

    Heisenberg's uncertainty relations have played an essential role in quantum physics since its very beginning. The uncertainty relations in the modern quantum formalism have become a fundamental limitation on the joint measurements of general quantum mechanical observables, going much beyond the original discussion of the trade-off between knowing a particle's position and momentum. Recently, the uncertainty relations have generated a considerable amount of lively debate as a result of the new inequalities proposed as extensions of the original uncertainty relations. We report an experimental test of one of the new Heisenberg's uncertainty relations using a single 40 Ca + ion trapped in a harmonic potential. By performing unitary operations under carrier transitions, we verify the uncertainty relation proposed by Busch, Lahti, and Werner (BLW) based on a general error-trade-off relation for joint measurements on two compatible observables. The positive operator-valued measure, required by the compatible observables, is constructed by single-qubit operations, and the lower bound of the uncertainty, as observed, is satisfied in a state-independent manner. Our results provide the first evidence confirming the BLW-formulated uncertainty at a single-spin level and will stimulate broad interests in various fields associated with quantum mechanics.

  12. Verifying Heisenberg’s error-disturbance relation using a single trapped ion

    Science.gov (United States)

    Zhou, Fei; Yan, Leilei; Gong, Shijie; Ma, Zhihao; He, Jiuzhou; Xiong, Taiping; Chen, Liang; Yang, Wanli; Feng, Mang; Vedral, Vlatko

    2016-01-01

    Heisenberg’s uncertainty relations have played an essential role in quantum physics since its very beginning. The uncertainty relations in the modern quantum formalism have become a fundamental limitation on the joint measurements of general quantum mechanical observables, going much beyond the original discussion of the trade-off between knowing a particle’s position and momentum. Recently, the uncertainty relations have generated a considerable amount of lively debate as a result of the new inequalities proposed as extensions of the original uncertainty relations. We report an experimental test of one of the new Heisenberg’s uncertainty relations using a single 40Ca+ ion trapped in a harmonic potential. By performing unitary operations under carrier transitions, we verify the uncertainty relation proposed by Busch, Lahti, and Werner (BLW) based on a general error–trade-off relation for joint measurements on two compatible observables. The positive operator-valued measure, required by the compatible observables, is constructed by single-qubit operations, and the lower bound of the uncertainty, as observed, is satisfied in a state-independent manner. Our results provide the first evidence confirming the BLW-formulated uncertainty at a single-spin level and will stimulate broad interests in various fields associated with quantum mechanics. PMID:28861461

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

    International Nuclear Information System (INIS)

    Katoh, Hiroyuki; Tsuji, Hiroshi; Ishikawa, Hitoshi

    2014-01-01

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

  14. Exploring behavioural determinants relating to health professional reporting of medication errors: a qualitative study using the Theoretical Domains Framework.

    Science.gov (United States)

    Alqubaisi, Mai; Tonna, Antonella; Strath, Alison; Stewart, Derek

    2016-07-01

    Effective and efficient medication reporting processes are essential in promoting patient safety. Few qualitative studies have explored reporting of medication errors by health professionals, and none have made reference to behavioural theories. The objective was to describe and understand the behavioural determinants of health professional reporting of medication errors in the United Arab Emirates (UAE). This was a qualitative study comprising face-to-face, semi-structured interviews within three major medical/surgical hospitals of Abu Dhabi, the UAE. Health professionals were sampled purposively in strata of profession and years of experience. The semi-structured interview schedule focused on behavioural determinants around medication error reporting, facilitators, barriers and experiences. The Theoretical Domains Framework (TDF; a framework of theories of behaviour change) was used as a coding framework. Ethical approval was obtained from a UK university and all participating hospital ethics committees. Data saturation was achieved after interviewing ten nurses, ten pharmacists and nine physicians. Whilst it appeared that patient safety and organisational improvement goals and intentions were behavioural determinants which facilitated reporting, there were key determinants which deterred reporting. These included the beliefs of the consequences of reporting (lack of any feedback following reporting and impacting professional reputation, relationships and career progression), emotions (fear and worry) and issues related to the environmental context (time taken to report). These key behavioural determinants which negatively impact error reporting can facilitate the development of an intervention, centring on organisational safety and reporting culture, to enhance reporting effectiveness and efficiency.

  15. Atom probe field ion microscopy and related topics: A bibliography 1991

    Energy Technology Data Exchange (ETDEWEB)

    Russell, K.F.; Miller, M.K.

    1993-01-01

    This report contains a bibliography for 1991 on the following topics: Atom probe field ion microscopy; field desorption mass spectrometry; field emission; field ion microscopy; and field emission theory.

  16. Atom probe field ion microscopy and related topics: A bibliography 1991

    International Nuclear Information System (INIS)

    Russell, K.F.; Miller, M.K.

    1993-01-01

    This report contains a bibliography for 1991 on the following topics: Atom probe field ion microscopy; field desorption mass spectrometry; field emission; field ion microscopy; and field emission theory

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

    Indian Academy of Sciences (India)

    Unknown

    work on lithium-ion conducting perovskite oxides containing d0 cations. Keywords. Lithium ion conductors; lithium–lanthanum perovskites; lithium– lanthanum titanates. 1. Introduction. There is a continuous search for new materials exhibiting high lithium ion conductivity in view of their potential technological application as ...

  18. Humidity affects relative ion abundance in direct analysis in real time mass spectrometry of hexamethylene triperoxide diamine.

    Science.gov (United States)

    Newsome, G Asher; Ackerman, Luke K; Johnson, Kevin J

    2014-12-16

    Unstable explosive hexamethylene triperoxide diamine (HMTD) is dangerous in quantity and benefits from the minimal sampling handling associated with atmospheric pressure chemical ionization for mass spectral analysis. Seasonal variation observed in HMTD mass spectra suggested a humidity dependence. Therefore, direct analysis in real time (DART) ionization mass spectra were acquired at a range of humidity values. An enclosure was designed to fit around the ion source and mass spectrometer inlet at atmospheric pressure. The enclosure was supplied with controlled amounts of humidified air from a test atmosphere generator to create programmable conditions for ambient analysis. The relative abundance and fragmentation of analyte ions were observed to change reliably with changing humidity values and, to a lesser degree, temperature. Humidity at such plasma-based ion sources should be regulated to avoid ∼90% shifts in relative ion abundance and provide stability and reproducibility of HMTD analysis.

  19. Discriminating Properties of Alkali Metal Ions Towards the Constituents of Proteins and Nucleic Acids. Conclusions from Gas-Phase and Theoretical Studies.

    Science.gov (United States)

    Rodgers, Mary T; Armentrout, Peter B

    2016-01-01

    Quantitative insight into the structures and thermodynamics of alkali metal cations interacting with biological molecules can be obtained from studies in the gas phase combined with theoretical work. In this chapter, the fundamentals of the experimental and theoretical techniques are first summarized and results for such work on complexes of alkali metal cations with amino acids, small peptides, and nucleobases are reviewed. Periodic trends in how these interactions vary as the alkali metal cations get heavier are highlighted.

  20. Overview. Department of Theoretical Physics. Section 4

    Energy Technology Data Exchange (ETDEWEB)

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

    1995-12-31

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

  1. Application of INAA in the study of metallic ions related to toxicity

    Energy Technology Data Exchange (ETDEWEB)

    Rogero, Sizue O.; Amaral, Renata H.; Costa, Isolda; Saiki, Mitiko [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil); E-mails: sorogero@ipen.br; rhamaral@ipen.br; icosta@ipen.br; mitiko@ipen.br

    2007-07-01

    The 316L stainless steel which is commonly used as biomaterial in metallic implants has shown toxic effect in cytotoxicity in vitro assay by neutral red uptake methodology. Instrumental neutron activation analysis was applied to evaluate metal composition in the steel and in the extract composed by cell culture medium (MEM) where the sample remained immersed during 10 days at 37 deg C. The aim of this study was to determine the level and identify the elements related to cytotoxicity, in solutions containing metallic ions with different associations and concentrations. The results showed Co, Cr and Ni elements in the extract which are metallic elements previously associated to toxicity. The association of Cr and Ni resulted in toxicity although these elements when individually present in the medium did not show any toxicity effect. On the other hand, the association of Co to Cr + Ni reduced the cytotoxic effect. (author)

  2. Theoretical energy level spectra and transition data for 4p64d, 4p64f and 4p54d2 configurations of W37+ ion

    International Nuclear Information System (INIS)

    Bogdanovich, P.; Kisielius, R.

    2012-01-01

    The ab initio quasirelativistic Hartree–Fock method developed specifically for the calculation of spectral parameters of heavy atoms and highly charged ions was applied to determine atomic data for tungsten ions. The correlation effects were included by adopting the configuration interaction method. The Breit–Pauli approximation for quasirelativistic Hartree–Fock radial orbitals was employed to take into account relativistic effects. The energy level spectra, radiative lifetimes, Lande factors g were calculated for the 4p 6 4d, 4p 6 4f and 4p 5 4d 2 configurations of W 37+ ion. The atomic data, namely, the transition wavelengths, spontaneous emission rates and oscillator strengths for the electric dipole, electric quadrupole and magnetic dipole transitions among and within the levels of these configurations are tabulated.

  3. Ab initio and density functional theoretical design and screening of model crown ether based ligand (host) for extraction of lithium metal ion (guest): effect of donor and electronic induction.

    Science.gov (United States)

    Boda, Anil; Ali, Sk Musharaf; Rao, Hanmanth; Ghosh, Sandip K

    2012-08-01

    The structures, energetic and thermodynamic parameters of model crown ethers with different donor, cavity and electron donating/ withdrawing functional group have been determined with ab initio MP2 and density functional theory in gas and solvent phase. The calculated values of binding energy/ enthalpy for lithium ion complexation are marginally higher for hard donor based aza and oxa crown compared to soft donor based thia and phospha crown. The calculated values of binding enthalpy for lithium metal ion with 12C4 at MP2 level of theory is in good agreement with the available experimental result. The binding energy is altered due to the inductive effect imparted by the electron donating/ withdrawing group in crown ether, which is well correlated with the values of electron transfer. The role of entropy for extraction of hydrated lithium metal ion by different donor and functional group based ligand has been demonstrated. The HOMO-LUMO gap is decreased and dipole moment of the ligand is increased from gas phase to organic phase because of the dielectric constant of the solvent. The gas phase binding energy is reduced in solvent phase as the solvent molecules weaken the metal-ligand binding. The theoretical values of extraction energy for LiCl salt from aqueous solution in different organic solvent is validated by the experimental trend. The study presented here should contribute to the design of model host ligand and screening of solvent for metal ion recognition and thus can contribute in planning the experiments.

  4. In situ investigation of helium fuzz growth on tungsten in relation to ion flux, fluence, surface temperature and ion energy using infrared imaging in PSI-2

    International Nuclear Information System (INIS)

    Möller, S; Kachko, O; Rasinski, M; Kreter, A; Linsmeier, Ch

    2017-01-01

    Tungsten is a candidate material for plasma-facing components in nuclear fusion reactors. In operation it will face temperatures >800 K together with an influx of helium ions. Previously, the evolution of special surface nanostructures called fuzz was found under these conditions in a limited window of surface temperature, ion flux and ion energy. Fuzz potentially leads to lower heat load tolerances, enhanced erosion and dust formation, hence should be avoided in a fusion reactor. Here the fuzz growth is reinvestigated in situ during its growth by considering its impact on the surfaces infrared emissivity at 4 μ m wavelength with an infrared camera in the linear plasma device PSI-2. A hole in the surface serves as an emissivity reference to calibrate fuzz thickness versus infrared emissivity. Among new data on the above mentioned relations, a lower fuzz growth threshold of 815 ± 24 K is found. Fuzz is seen to grow on rough and polished surfaces and even on the hole’s side walls alike. Literature scalings for thickness, flux and time relations of the fuzz growth rate could not be reproduced, but for the temperature scaling a good agreement to the Arrhenius equation was found. (paper)

  5. European research activities on charge state breeding related to radioactive ion beam facilities.

    Science.gov (United States)

    Lamy, T; Angot, J; Thuillier, T

    2008-02-01

    European effort on charge breeders is mainly dedicated to present and future Radioactive Ion Beam facilities. The main projects are High Intensity and Energy-ISOLDE at CERN, SPIRAL2 at GANIL, and EURISOL. Most of the experimental developments are funded by the European programs EURONS (European Nuclear Structure) and EURISOL (European Isotope Separation On-Line Radioactive Ion Beam Facility). Two ion source types (electron beam ion source and electron cyclotron resonance ion source) have been adapted to accept the injection and the capture of an ion beam, in order to increase its charge with the highest efficiency within the shortest time. Both charge breeders have advantages and disadvantages with regard to their use in a Radioactive Ion Beam facility. The most important parameters studied are acceptance (in emittance and intensity) of the charge breeder, efficiency, and charge breeding time of a specific n+ charge state, emittance of the extracted n+ beam. The charge breeder parameters are studied with different 1+ ion sources dedicated to 1+ radioactive ion beam production, and the tuning procedure of the charge breeder as a beam line section of a specific accelerator is established and measured too.

  6. Derivation of Theoretical Formulas of the Frequency Component Contained in the Overvoltage Related to Long EHV Cables

    DEFF Research Database (Denmark)

    Ohno, Teruo; Bak, Claus Leth; Ametani, Akihiro

    2012-01-01

    or frequency scans. In addition, the formulas could eliminate the necessity of building simulation models of some network components. In order to address this need, this paper derives theoretical formulas to find the dominant frequency in long cable energization overvoltages. The accuracy and practical...

  7. Small group IIa-VIa clusters and related systems: A theoretical study of physical properties, reactivity, and electronic spectra

    Czech Academy of Sciences Publication Activity Database

    Srnec, Martin; Zahradník, Rudolf

    -, č. 12 (2007), s. 1529-1543 ISSN 1434-1948 Institutional research plan: CEZ:AV0Z40550506; CEZ:AV0Z40400503 Keywords : ab initio calculations * cluster compounds * structural elucidation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.597, year: 2007

  8. Object Recognition and Object Segregation in Infancy: Historical Perspective, Theoretical Significance, "Kinds" of Knowledge, and Relation to Object Categorization.

    Science.gov (United States)

    Quinn, Paul C.; Bhatt, Ramesh S.

    2001-01-01

    Reflects on Needham's findings on infants' object recognition and segregation. Examines the role for perceptual bias in explaining infant performance, places Needham's studies in historical perspective, and assesses their theoretical significance. Discusses the merits of positing different kinds of information sources for object segregation, and…

  9. Range to cone length relations for light ions in CR-39

    International Nuclear Information System (INIS)

    Gil, L.R.; Marques, A.

    1988-01-01

    Curves ''range x cone lenght'' and ''diameter x cone lenght'' are calculated for tracks left by low energy light ions in CR-39. The calculations cover ions from helium to iron and are performed for 6.25 N NaOH at 70 0 C and a standard etching time but can be easily extended to other etching conditions. (author) [pt

  10. Atom probe field ion microscopy and related topics: A bibliography 1992

    Energy Technology Data Exchange (ETDEWEB)

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

    1993-12-01

    This bibliography contains citations of books, conference proceedings, journals, and patents published in 1992 on the following types of microscopy: atom probe field ion microscopy (108 items); field emission microscopy (101 items); and field ion microscopy (48 items). An addendum of 34 items missed in previous bibliographies is included.

  11. Investigations on contribution of glial inwardly-rectifying K+ current to membrane potential and ion flux: An experimental and theoretical study

    Directory of Open Access Journals (Sweden)

    Sheng-Nan Wu

    2015-01-01

    Full Text Available The inwardly rectifying K+ current [IK(IR] allows large inward K+ currents at potentials negative to K+ equilibrium potential (EK and it becomes small outward K+ currents at those positive to EK. How changes of such currents enriched in glial cells can influence the functions of glial cell, neurons, or both is not clearly defined, although mutations of Kir4.1 channels have been demonstrated to cause serious neurological disorders. In this study, we identified the presence of IK(IR in human glioma cells (U373 and U87 cells. The amplitude of IK(IR in U373 cells was subject to inhibition by amitriptyline, arecoline, or BaCl2. The activity of inwardly rectifying K+ channels was also clearly detected, and single-channel conductance of these channels was calculated to be around 23 pS. Moreover, based on a simulation model derived from neuron–glial interaction mediated by ion flux, we further found out that incorporation of glial IK(IR conductance into the model can significantly contribute to regulation of extracellular K+ concentrations and glial resting potential, particularly during high-frequency stimulation. Glial cells and neurons can mutually modulate their expression of ion channels through K+ ions released into the extracellular space. It is thus anticipated that glial IK(IR may be a potential target utilized to influence the activity of neuronal and glial cells as well as their interaction.

  12. A theoretical model to predict customer satisfaction in relation to service quality in selected university libraries in Sri Lanka

    Directory of Open Access Journals (Sweden)

    Chaminda Jayasundara

    2009-01-01

    Full Text Available University library administrators in Sri Lanka have begun to search for alternative ways to satisfy their clientele on the basis of service quality. This article aims at providing a theoretical model to facilitate the identification of service quality attributes and domains that may be used to predict customer satisfaction from a service quality perspective. The effectiveness of existing service quality models such as LibQUAL, SERVQUAL and SERVPREF have been questioned. In that regard, this study developed a theoretical model for academic libraries in Sri Lanka based on the disconfirmation and performance-only paradigms. These perspectives were considered by researchers to be the core mechanism to develop service quality/customer satisfaction models. The attributes and domain identification of service quality was carried out with a stratified sample of 263 participants selected from postgraduate and undergraduate students and academic staff members from the faculties of Arts in four universities in Sri Lanka. The study established that responsiveness, supportiveness, building environment, collection and access, furniture and facilities, technology, Web services and service delivery were quality domains which can be used to predict customer satisfaction. The theoretical model is unique in its domain structure compared to the existing models. The model needs to be statistically tested to make it valid and parsimonious.

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

    CERN Document Server

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

    2000-01-01

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

  14. Spectroscopy of metal-ion complexes with peptide-related ligands.

    Science.gov (United States)

    Dunbar, Robert C

    2015-01-01

    With new experimental tools and techniques developing rapidly, spectroscopic approaches to characterizing gas-phase metal ion complexes have emerged as a lively area of current research, with particular emphasis on structural and conformational information. The present review gives detailed attention to the metal-ion complexes of amino acids (and simple derivatives), much of whose study has focused on the question of charge-solvation vs salt-bridge modes of complexation. Alkali metal ions have been most frequently examined, but work with other metal ions is discussed to the extent to which they have been studied. The majority of work has been with simple cationic metal ion complexes, while recent excursions into deprotonated complexes, anionic complexes, and dimer complexes are also of interest. Interest is growing in complexes of small peptides, which are discussed both in the context of possible zwitterion formation as a charge-solvation alternative, and of the alternative metal-ion bond formation to amide nitrogens in structures involving iminol tautomerization. The small amount of work on complexes of large peptides and proteins is considered, as are the structural consequences of solvation of the gas-phase complexes. Spectroscopy in the visible/UV wavelength region has seen less attention than the IR region for structure determination of gas-phase metal-ion complexes; the state of this field is briefly reviewed.

  15. Changes in transcript related to osmosis and intracellular ion homeostasis in Paulownia tomentosa under salt stress

    Directory of Open Access Journals (Sweden)

    Guoqiang eFan

    2016-03-01

    Full Text Available Paulownia tomentosa is an important economic and greening tree species that is cultivated widely, including salt environment. Our previous studies indicated its autotetraploid induced by colchicine showed better stress tolerance, but the underlying molecular mechanism related to ploidy and salt stress is still unclear. To investigate this issue, physiological measurements and transcriptome profiling of diploid and autotetraploid plants untreated and treated with NaCl were performed. Through the comparisons among four accessions, for one thing, we found different physiological changes between diploid and autotetraploid P. tomentosa; for another, and we detected many differentially expressed unigenes involved in salt stress response. These differentially expressed unigenes were assigned to several metabolic pathways, including plant hormone signal transduction, RNA transporter, protein processing in endoplasmic reticulum and plant-pathogen interaction, which constructed the complex regulatory network to maintain osmotic and intracellular ion homeostasis. Quantitative real-time polymerase chain reaction was used to confirm the expression patterns of 20 unigenes. The results establish the foundation for the genetic basis of salt tolerance in P. tomentosa, which in turn accelerates Paulownia breeding and expands available arable land.

  16. Synthetic, structural, spectroscopic and theoretical study of a Mn(III)-Cu(II) dimer containing a Jahn-Teller compressed Mn ion

    DEFF Research Database (Denmark)

    Berg, Nelly; Hooper, Thomas N.; Liu, Junjie

    2013-01-01

    The heterobimetallic complex [Cu(II)Mn(III)(L)(2)(py)(4)](ClO(4))·EtOH (1) built using the pro-ligand 2,2'-biphenol (LH(2)), contains a rare example of a Jahn-Teller compressed Mn(III) centre. Dc magnetic susceptibility measurements on 1 reveal a strong antiferromagnetic exchange between the Cu...... anisotropy also correlates well with experiment. A larger cluster anisotropy for the S = 3/2 state compared to the single-ion anisotropy of Mn(III) is rationalised on the basis of orbital mixing and various contributions that arise due to the spin-orbit interaction....

  17. Dispersion relation and growth in a two-stream free electron laser with helical wiggler and ion channel guiding

    International Nuclear Information System (INIS)

    Mehdian, Hassan; Abbasi, Negar

    2008-01-01

    A linear theory of two-stream free electron laser (FEL) with helical wiggler and ion channel guiding is presented. The dispersion relation is obtained with the help of fluid theory and the growth rate is analyzed through the numerical solutions. The considerable enhancement of the growth rate is demonstrated due to the two-stream instability and continuous tuning of peak growth rate ratio, two-stream FEL compared to single-stream FEL, in terms of varying the ion channel frequency is illustrated

  18. Electronic absorption spectra and geometry of molecular ions generated from stilbene and related compounds, 3

    International Nuclear Information System (INIS)

    Suzuki, Hiroshi; Ogawa, Keiichiro; Shida, Tadamasa; Kira, Akira.

    1983-01-01

    The radical ions of (Z)-stilbene and its α,β-dialkyl derivatives were produced by γ-ray irradiation of the parent compounds in frozen matrices at 77 K, and their geometries were investigated by electronic absorption spectroscopy. While the relaxed geometries of the radical ions of (Z)-stilbene are probably similar to that of the neutral molecule, those of the radical ions of the α,β-dialkyl derivatives are appreciably different from those of the neutral molecules: The torsion angle of the central ethylenic bond is distinctly larger and that of each C-Ph bond is probably smaller in the radical ions than in the neutral molecules. On illumination the radical ions of (Z)-stilbene isomerize to the E isomers, but those of the α,β-dialkyl derivatives do not. A mechanism of the photoisomerization is proposed, and an interpretation of the difference in the photochemical behavior between the unsubstituted stilbene radical ions and the α,β-dialkyl derivatives is given. (author)

  19. Statistical Study on Variations of the Ionospheric Ion Density Observed by DEMETER and Related to Seismic Activities

    Science.gov (United States)

    Yan, Rui; Parrot, Michel; Pinçon, Jean-Louis

    2017-12-01

    In this paper, we present the result of a statistical study performed on the ionospheric ion density variations above areas of seismic activity. The ion density was observed by the low altitude satellite DEMETER between 2004 and 2010. In the statistical analysis a superposed epoch method is used where the observed ionospheric ion density close to the epicenters both in space and in time is compared to background values recorded at the same location and in the same conditions. Data associated with aftershocks have been carefully removed from the database to prevent spurious effects on the statistics. It is shown that, during nighttime, anomalous ionospheric perturbations related to earthquakes with magnitudes larger than 5 are evidenced. At the time of these perturbations the background ion fluctuation departs from a normal distribution. They occur up to 200 km from the epicenters and mainly 5 days before the earthquakes. As expected, an ion density perturbation occurring just after the earthquakes and close to the epicenters is also evidenced.

  20. Relative abundances of primary ion radicals in γ-irradiated DNA: Cytosine vs thymine anions and guanine vs adenine cations

    International Nuclear Information System (INIS)

    Sevilla, M.D.; Becker, D.; Yan, Mengyao; Summerfield, S.R.

    1991-01-01

    An ESR study of the relative distribution of ion radicals formed in DNA equilibrated with D 2 O and γ-irradiated at 77 K is presented. The ESR spectra of irradiated DNA and polynucleotides (poly[dG]·poly[dC] and poly[dAdT]·poly[dAdT]) were obtained and employed in a computer-assisted analysis for the individual ion-radical distribution. Analysis of spectra as a function of power allowed the separation of the spectra of the pyrimidine anions (T sm-bullet- , C sm-bullet- ) from the spectra of the purine cations (G sm-bullet+ , A sm-bullet+ ). The spectra of the mononucleotide ion radicals, dCMP sm-bullet- , dTMP sm-bullet- , dGMP sm-bullet+ , and dAMP sm-bullet+ , were produced in 8 M LiCl glasses. In addition, the spectra of the ion radicals of all of the mononucleotide ion radicals except dAMP + were simulated by using hyperfine and g tensors from the literature. Basis spectra derived from (1) power saturation experiments, (2) polynucleotide and mononucleotide spectra, (3) spectra of mononucleotides alone, and (4) anisotropic simulations were used to fit the spectra of DNA by use of a linear least-squares analysis. Each of the four separate analyses confirms that the cytosine anion dominates the spectra of DNA at 100 K. Three analyses included the cationic composition, and they strongly favor the guanine cation over the adenine cation. An average of the authors results gives the DNA ion radicals' relative to abundances as ca. 77% C sm-bullet- , 23% T sm-bullet- for the anions and >90% G sm-bullet+ for the cations about equal amounts of anions and cations are present. No difference in results is found for DNA irradiated in frozen D 2 O solutions or simply exchanged at 100% D 2 O humidity

  1. High-pressure behaviour of selenium-based spinels and related structures - an experimental and theoretical study

    International Nuclear Information System (INIS)

    Waskowska, A; Gerward, L; Olsen, J Staun; Feliz, M; Llusar, R; Gracia, L; Marques, M; Recio, J M

    2004-01-01

    The high-pressure structural behaviour of the cubic spinel CdCr 2 Se 4 (space group Fd3barm) and tetragonal CdGa 2 Se 4 (I4bar) has been investigated experimentally and theoretically in order to understand the large difference in compressibility between the two selenides. The experimental values of the bulk modulus for these compounds are 101(2) and 48(2) GPa, respectively. These values compare well with 92 and 44 GPa obtained from first-principles calculations based on the density functional theory formalism. The observed difference in compressibility between the cubic and tetragonal structures can be understood in terms of polyhedral analysis. In a hypothetical cubic spinel structure Fd3barm), the calculated bulk modulus for CdGa 2 Se 4 is 85 GPa. This value together with the experimental and theoretical results for CdCr 2 Se 4 suggest that the selenium-based cubic spinels should have a bulk modulus about 100 GPa, which is half the value found for the oxide spinels

  2. High-pressure behaviour of selenium-based spinels and related structures - an experimental and theoretical study

    Energy Technology Data Exchange (ETDEWEB)

    Waskowska, A [Institute of Low Temperature and Structure Research, Polish Academy of Sciences, 50 422 Wroclaw (Poland); Gerward, L [Department of Physics, Technical University of Denmark, 2800 Kongens Lyngby, Denmark (Denmark); Olsen, J Staun [Niels Bohr Institute, Oersted Laboratory, University of Copenhagen, 2100 Copenhagen (Denmark); Feliz, M [Universitat Jaume I - Campus de Riu Sec, Departament de Ciences Experimentals, Apartat 224, Castellon (Spain); Llusar, R [Universitat Jaume I - Campus de Riu Sec, Departament de Ciences Experimentals, Apartat 224, Castellon (Spain); Gracia, L [Universitat Jaume I - Campus de Riu Sec, Departament de Ciences Experimentals, Apartat 224, Castellon (Spain); Marques, M [Departamento de QuImica FIsica y AnalItica, Universidad de Oviedo, E-33006 Oviedo (Spain); Recio, J M [Departamento de QuImica FIsica y AnalItica, Universidad de Oviedo, E-33006 Oviedo (Spain)

    2004-01-14

    The high-pressure structural behaviour of the cubic spinel CdCr{sub 2}Se{sub 4} (space group Fd3barm) and tetragonal CdGa{sub 2}Se{sub 4} (I4bar) has been investigated experimentally and theoretically in order to understand the large difference in compressibility between the two selenides. The experimental values of the bulk modulus for these compounds are 101(2) and 48(2) GPa, respectively. These values compare well with 92 and 44 GPa obtained from first-principles calculations based on the density functional theory formalism. The observed difference in compressibility between the cubic and tetragonal structures can be understood in terms of polyhedral analysis. In a hypothetical cubic spinel structure Fd3barm), the calculated bulk modulus for CdGa{sub 2}Se{sub 4} is 85 GPa. This value together with the experimental and theoretical results for CdCr{sub 2}Se{sub 4} suggest that the selenium-based cubic spinels should have a bulk modulus about 100 GPa, which is half the value found for the oxide spinels.

  3. Theoretical Mechanics Theoretical Physics 1

    CERN Document Server

    Dreizler, Reiner M

    2011-01-01

    After an introduction to basic concepts of mechanics more advanced topics build the major part of this book. Interspersed is a discussion of selected problems of motion. This is followed by a concise treatment of the Lagrangian and the Hamiltonian formulation of mechanics, as well as a brief excursion on chaotic motion. The last chapter deals with applications of the Lagrangian formulation to specific systems (coupled oscillators, rotating coordinate systems, rigid bodies). The level of this textbook is advanced undergraduate. The authors combine teaching experience of more than 40 years in all fields of Theoretical Physics and related mathematical disciplines and thorough knowledge in creating advanced eLearning content. The text is accompanied by an extensive collection of online material, in which the possibilities of the electronic medium are fully exploited, e.g. in the form of applets, 2D- and 3D-animations. - A collection of 74 problems with detailed step-by-step guidance towards the solutions. - A col...

  4. Theoretical resonant electron-impact vibrational excitation, dissociative recombination and dissociative excitation cross sections of ro-vibrationally excited BeH+ ion

    International Nuclear Information System (INIS)

    Laporta, V.; Chakrabarti, K.; Celiberto, R.; Janev, R. K.; Mezei, J. Zs.; Niyonzima, S.; Tennyson, J.; Schneider, I.F.

    2017-01-01

    A theoretical study of resonant vibrational excitation, dissociative recombination and dissociative excitation processes of the beryllium monohydride cation, BeH + , induced by electron impact, is reported. Full sets of ro-vibrationally-resolved cross sections and of the corresponding Maxwellian rate coefficients are presented for the three processes. Particular emphasis is given to the high-energy behaviour. Potential curves of 2 σ + , 2 σ and 2 δ symmetries and the corresponding resonance widths, obtained from R-matrix calculations, provide the input for calculations which use a local complex-potential model for resonant collisions in each of the three symmetries. Rotational motion of nuclei and isotopic effects are also discussed. The relevant results are compared with those obtained using a multichannel quantum defect theory method. Full results are available from the Phys4Entry database.

  5. The calculation of ion fractions in LEIS

    Science.gov (United States)

    Verbist, G.; Brongersma, H. H.; Devreese, J. T.

    1992-02-01

    We discuss different ways of calculating ion fractions for LEIS-type experiments: (i) parametrizations, and (ii) quasi-ab-initio models. Among the different parametrizations of the neutralization rates the Hagstrum, Godfrey-Woodruff and the unified model are compared. For surfaces containing different types of atoms, e.g. NaCl, it is not possible to determine the neutralization constants uniquely. This is related to the use of relative ion fractions. For the absolute ion fractions there is a convincing agreement between DISC-experiments for He + → Si scattering and a theoretical calculation on the basis of the quasi-ab-initio Muda-Newns model.

  6. Relative Biological Effectiveness of HZE Fe Ions for Induction ofMicro-Nuclei at Low Doses

    Energy Technology Data Exchange (ETDEWEB)

    Groesser, Torsten; Chun, Eugene; Rydberg, Bjorn

    2007-01-16

    Dose-response curves for induction of micro-nuclei (MN) was measured in Chinese hamster V79 and xrs6 (Ku80-) cells and in human mammary epithelial MCF10A cells in the dose range of 0.05-1 Gy. The Chinese Hamster cells were exposed to 1 GeV/u Fe ions, 600 MeV/u Fe ions, and 300 MeV/u Fe ions (LETs of 151, 176 and 235 keV/{micro}m respectively) as well as with 320 kVp X-rays as reference. Second-order polynomials were fitted to the induction curves and the initial slopes (the alpha values) were used to calculate RBE. For the repair proficient V79 cells the RBE at these low doses increased with LET. The values obtained were 3.1 (LET=151 keV/{micro}m), 4.3 (LET = 176 keV/{micro}m) and 5.7 (LET = 235 keV/{micro}m), while the RBE was close to 1 for the repair deficient xrs6 cells regardless of LET. For the MCF10A cells the RBE was determined for 1 GeV/u Fe ions and found to be 5.4, slightly higher than for V79 cells. To test the effect of shielding, the 1 GeV/u Fe ion beam was intercepted by various thickness of high-density polyethylene plastic absorbers, which resulted in energy loss and fragmentation. It was found that the MN yield for V79 cells placed behind the absorbers decreased in proportion to the decrease in dose both before and after the Fe ion Bragg peak (excluding the area around the Fe-ion Bragg peak itself), indicating that RBE did not change significantly due to shielding. At the Bragg peak the effectiveness for MN formation per unit dose was decreased, indicating an 'overkill' effect by low-energy very high-LET Fe ions.

  7. Charge-state related effects in sputtering of LiF by swift heavy ions

    Energy Technology Data Exchange (ETDEWEB)

    Assmann, W. [Ludwig-Maximilians-Universität München, 85748 Garching (Germany); Ban-d' Etat, B. [Centre de Recherche sur les Ions, les Matériaux et la photonique, CIMAP-GANIL, CEA–CNRS–ENSICAEN–Univ. Caen, 14070 Caen (France); Bender, M. [GSI Helmholtzzentrum für Schwerionenforschung, 64291 Darmstadt (Germany); Boduch, P. [Centre de Recherche sur les Ions, les Matériaux et la photonique, CIMAP-GANIL, CEA–CNRS–ENSICAEN–Univ. Caen, 14070 Caen (France); Grande, P.L. [Univ. Fed. Rio Grande do Sul, BR-91501970 Porto Alegre, RS (Brazil); Lebius, H.; Lelièvre, D. [Centre de Recherche sur les Ions, les Matériaux et la photonique, CIMAP-GANIL, CEA–CNRS–ENSICAEN–Univ. Caen, 14070 Caen (France); Marmitt, G.G. [Univ. Fed. Rio Grande do Sul, BR-91501970 Porto Alegre, RS (Brazil); Rothard, H. [Centre de Recherche sur les Ions, les Matériaux et la photonique, CIMAP-GANIL, CEA–CNRS–ENSICAEN–Univ. Caen, 14070 Caen (France); Seidl, T.; Severin, D.; Voss, K.-O. [GSI Helmholtzzentrum für Schwerionenforschung, 64291 Darmstadt (Germany); Toulemonde, M., E-mail: toulemonde@ganil.fr [Centre de Recherche sur les Ions, les Matériaux et la photonique, CIMAP-GANIL, CEA–CNRS–ENSICAEN–Univ. Caen, 14070 Caen (France); Trautmann, C. [GSI Helmholtzzentrum für Schwerionenforschung, 64291 Darmstadt (Germany); Technische Universität Darmstadt, 64289 Darmstadt (Germany)

    2017-02-01

    Sputtering experiments with swift heavy ions in the electronic energy loss regime were performed by using the catcher technique in combination with elastic recoil detection analysis. The angular distribution of particles sputtered from the surface of LiF single crystals is composed of a jet-like peak superimposed on a broad isotropic distribution. By using incident ions of fixed energy but different charges states, the influence of the electronic energy loss on both components is probed. We find indications that isotropic sputtering originates from near-surface layers, whereas the jet component may be affected by contributions from depth up to about 150 nm.

  8. DOE-HEP Final Report for 2013-2016: Studies of plasma wakefields for high repetition-rate plasma collider, and Theoretical study of laser-plasma proton and ion acceleration

    Energy Technology Data Exchange (ETDEWEB)

    Katsouleas, Thomas C. [Duke Univ., Durham, NC (United States). Dept. of Electrical and Computer Engineering; Sahai, Aakash A. [Imperial College, London (United Kingdom). Dept. of Physics

    2016-08-08

    There were two goals for this funded project: 1. Studies of plasma wakefields for high repetition-rate plasma collider, and 2. Theoretical study of laser-plasma proton and ion acceleration. For goal 1, an analytical model was developed to determine the ion-motion resulting from the interaction of non-linear “blow-out” wakefields excited by beam-plasma and laser-plasma interactions. This is key to understanding the state of the plasma at timescales of 1 picosecond to a few 10s of picoseconds behind the driver-energy pulse. More information can be found in the document. For goal 2, we analytically and computationally analyzed the longitudinal instabilities of the laser-plasma interactions at the critical layer. Specifically, the process of “Doppler-shifted Ponderomotive bunching” is significant to eliminate the very high-energy spread and understand the importance of chirping the laser pulse frequency. We intend to publish the results of the mixing process in 2-D. We intend to publish Chirp-induced transparency. More information can be found in the document.

  9. Solid surfaces : some theoretical aspects

    International Nuclear Information System (INIS)

    Das, M.P.

    1978-01-01

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

  10. Generation of vacancy cluster-related defects during single MeV silicon ion implantation of silicon

    Energy Technology Data Exchange (ETDEWEB)

    Pastuović, Ž., E-mail: zkp@ansto.gov.au [Australian Nuclear Science and Technology Organization, Locked Bag 2001, Kirrawee DC NSW 2232 (Australia); Capan, I. [Ruđer Bošković Institute, Bijenička cesta 54, P.O. Box 180, 10002 Zagreb (Croatia); Siegele, R. [Australian Nuclear Science and Technology Organization, Locked Bag 2001, Kirrawee DC NSW 2232 (Australia); Jačimović, R. [Jozef Stefan Institute, 1000 Ljubljana (Slovenia); Forneris, J. [Physics Department and NIS Excellence Centre, University of Torino, INFN – sez. Torino, CNISM – sez. Torino, via P. Giuria 1, 10125 Torino (Italy); Cohen, D.D. [Australian Nuclear Science and Technology Organization, Locked Bag 2001, Kirrawee DC NSW 2232 (Australia); Vittone, E. [Physics Department and NIS Excellence Centre, University of Torino, INFN – sez. Torino, CNISM – sez. Torino, via P. Giuria 1, 10125 Torino (Italy)

    2014-08-01

    Deep Level Transient Spectroscopy (DLTS) has been used to study defects formed in bulk silicon after implantation of 8.3 MeV {sup 28}Si{sup 3+} ions at room temperature. For this study, Schottky diodes prepared from n-type Czohralski-grown silicon wafers have been implanted in the single ion regime up to fluence value of 1 × 10{sup 10} cm{sup −2} utilizing the scanning focused ion microbeam as implantation tool and the Ion Beam Induced Current (IBIC) technique for ion counting. Differential DLTS analysis of the vacancy-rich region in self-implanted silicon reveals a formation of the broad vacancy-related defect state(s) at E{sub c} −0.4 eV. Direct measurements of the electron capture kinetics associated with this trap at E{sub c} −0.4 eV, prior to any annealing do not show an exponential behaviour typical for the simple point-like defects. The logarithmic capture kinetics is in accordance with the theory of majority carrier capture at extended or cluster-related defects. We have detected formation of two deep electron traps at E{sub c} −0.56 eV and E{sub c} −0.61 eV in the interstitial-rich region of the self-implanted silicon, before any annealing. No DLTS signal originating from vacancy-oxygen trap at E{sub c} −0.17 eV, present in the sample irradiated with 0.8 MeV neutrons, has been recorded in the self-implanted sample.

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

    Indian Academy of Sciences (India)

    Unknown

    in orthorhombic (GdFeO3-type) structure, while oxides III and IV possess cubic ... structure. The low occupancy (1/6) of this site provides a continuously connected pathway for Li+ ion motion, giving rise to the high ionic conductivity. ..... We thank the Department of Science and Technology, Government of India, for financial.

  12. Amorphous track predictions in ‘libamtrack’ for alanine relative effectiveness in ion beams

    DEFF Research Database (Denmark)

    Herrmann, Rochus; Greilich, Steffen; Grzanka, Leszek

    2011-01-01

    Solid state dosimetery in therapeutic ion beams is seriously hampered by ionisation density effects. In most cases the use of empirical corrections is limited and therefore model predictions, especially from amorphous track models (ATMs), play a major role. Due to its high saturation dose...

  13. Relations Between Morphology and Catalytic Activity of Ion Exchanger Catalysts for Synthesis of Bisphenol A

    Czech Academy of Sciences Publication Activity Database

    Jeřábek, Karel; Hanková, Libuše; Prokop, Zdeněk; Lundquist, E. G.

    2002-01-01

    Roč. 232, 1-2 (2002), s. 181-188 ISSN 0926-860X R&D Projects: GA ČR GA104/99/0125 Keywords : ion exchangers * catalyst * morphology Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 1.915, year: 2002

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

    DEFF Research Database (Denmark)

    Hawkins, C L; Davies, Michael Jonathan

    1997-01-01

    (II)-H2O2, evidence has been obtained for: i) altered sites of attack and fragmentation, ii) C-terminal decarboxylation, and iii) hydrogen abstraction at N-terminal alpha-carbon sites. This altered behaviour is believed to be due to the binding of copper ions to some substrates and hence site...

  15. Evolution of ionosphere-thermosphere (IT) parameters in the cusp region related to ion upflow events

    Science.gov (United States)

    Kervalishvili, Guram; Lühr, Hermann

    2017-04-01

    In this study we investigate the relationships of various IT parameters with the intensity of vertical ion flow. Our study area is the ionospheric cusp region in the northern hemisphere. The approach uses superposed epoch analysis (SEA) method, centered alternately on peaks of the three different variables: neutral density enhancement, vertical plasma flow, and electron temperature. Further parameters included are large-scale field-aligned currents (LSFACs) and thermospheric zonal wind velocity profiles over magnetic latitude (MLat), which are centered at the event time and location. The dependence on the interplanetary magnetic field (IMF) By component orientation and the local (Lloyd) season is of particular interest. Our investigations are based on CHAMP and DMSP (F13 and F15) satellite observations and the OMNI online database collected during the years 2002-2007. The three Lloyd seasons of 130 days each are defined as follows: local winter (1 January ± 65 days), combined equinoxes (1 April and 1 October ± 32 days), and local summer (1 July ± 65 days). A period of 130 days corresponds to the time needed by CHAMP to sample all local times. The SEA MLat profiles with respect to neutral density enhancement and vertical plasma flow peaks show no significant but only slight (decreasing towards local summer) seasonal variations for both IMF By orientations. The latitude profiles of median LSFACs show a clear dependence on the IMF By orientation. As expected, the maximum and minimum values of LSFAC amplitudes are increasing towards local summer for both IMF By signs. With respect to zero epoch latitude, FAC peaks appear equatorward (negative MLat) related to Region 1 (R1) and poleward (positive MLat) to Region 0 (R0) FACs. However, there is an imbalance between the amplitudes of LSFACs, depending on the current latitude. R1 currents are systematically stronger than R0 FACs. A somewhat different distribution of density enhancements and large-scale FACs emerges when

  16. Mundane science use in a practice theoretical perspective: Different understandings of the relations between citizen-consumers and public communication initiatives build on scientific claims.

    Science.gov (United States)

    Halkier, Bente

    2015-08-13

    Public communication initiatives play a part in placing complicated scientific claims in citizen-consumers' everyday contexts. Lay reactions to scientific claims framed in public communication, and attempts to engage citizens, have been important subjects of discussion in the literatures of public understanding and public engagement with science. Many of the public communication initiatives, however, address lay people as consumers rather than citizens. This creates specific challenges for understanding public engagement with science and scientific citizenship. The article compares five different understandings of the relations between citizen-consumers and public issue communication involving science, where the first four types are widely represented in the Public Understanding of Science discussions. The fifth understanding is a practice theoretical perspective. The article suggests how the public understanding of and engagement in science literature can benefit from including a practice theoretical approach to research about mundane science use and public engagement. © The Author(s) 2015.

  17. Maximum field emission current density of CuO nanowires: theoretical study using a defect-related semiconductor field emission model and in situ measurements.

    Science.gov (United States)

    Lin, Zufang; Zhao, Peng; Ye, Peng; Chen, Yicong; Gan, Haibo; She, Juncong; Deng, Shaozhi; Xu, Ningsheng; Chen, Jun

    2018-02-01

    In this study, we proposed a theoretical model for one-dimensional semiconductor nanowires (NWs), taking account of the defect-related electrical transport process. The maximum emission current density was calculated by considering the influence of Joule heating, using a one-dimensional heat equation. The field emission properties of individual CuO NWs with different electrical properties were studied using an in situ experimental technique. The experimental results for maximum emission current density agreed well with the theoretical predictions and suggested that multiple conduction mechanisms were active. These may be induced by the concentration of defects in the CuO NW. The concentration of defects and the transport mechanisms were found to be key factors influencing the maximum field emission current density of the semiconductor NW. As is limited by the change of resistivity with temperature, only thermal runaway can trigger breakdown in CuO NWs.

  18. Phase Tuning of Nanostructured Gallium Oxide via Hybridization with Reduced Graphene Oxide for Superior Anode Performance in Li-Ion Battery: An Experimental and Theoretical Study.

    Science.gov (United States)

    Patil, Sharad B; Kim, In Young; Gunjakar, Jayavant L; Oh, Seung Mi; Eom, Taedaehyeong; Kim, Hyungjun; Hwang, Seong-Ju

    2015-08-26

    The crystal phase of nanostructured metal oxide can be effectively controlled by the hybridization of gallium oxide with reduced graphene oxide (rGO) at variable concentrations. The change of the ratio of Ga2O3/rGO is quite effective in tailoring the crystal structure and morphology of nanostructured gallium oxide hybridized with rGO. This is the first example of the phase control of metal oxide through a change of the content of rGO hybridized. The calculations based on density functional theory (DFT) clearly demonstrate that the different surface formation energy and Ga local symmetry of Ga2O3 phases are responsible for the phase transition induced by the change of rGO content. The resulting Ga2O3-rGO nanocomposites show promising electrode performance for lithium ion batteries. The intermediate Li-Ga alloy phases formed during the electrochemical cycling are identified with the DFT calculations. Among the present Ga2O3-rGO nanocomposites, the material with mixed α-Ga2O3/β-Ga2O3/γ-Ga2O3 phase can deliver the largest discharge capacity with the best cyclability and rate characteristics, highlighting the importance of the control of Ga2O3/rGO ratio in optimizing the electrode activity of the composite materials. The present study underscores the usefulness of the phase-control of nanostructured metal oxides achieved by the change of rGO content in exploring novel functional nanocomposite materials.

  19. The Theoretical Foundations of Formation of the System of Regulating the Social-Labor Relations on the Principles of Responsibility

    Directory of Open Access Journals (Sweden)

    Fomina Olena O.

    2017-03-01

    Full Text Available The article is aimed at analyzing the fundamental economic theories of regulating the social-labor relations, in particular, Marxism, post-capitalism, social action – considering responsibility in the inter-subjective relations, as well as in the assessment of adequacy of implementation of the above indicated theories into economic activities. On the basis of an analysis, it has been found that Marxism considers responsibility as freedom for the economic entities and in the aspect of regulation of social-labor relations allows conflict, which is the engine of the human progress. The post-capitalism represents the conception, which provides for adaptation of public relations towards the technological changes, arbitrary behavior of business entities and formation of organizations of the new formation, aimed at cooperation. The social action theory allows to take into account the objective circumstances impacting the parties of the social-labor relations, and to settle conflicts through the provision of individual responsibility of each party for the situation present. In the light of the foregoing, we believe that regulation of the social-labor relations should be based on use of these theories. Prospects for further research in this direction will be considering the evolution of contemporary theories of responsibility as well as formation of a conceptual schema to ensure the responsible behavior of subjects in the social-labor relations.

  20. Theoretical and experimental determination of matrix diffusion and related solute transport properties of fractured tuffs from the Nevada Test Site

    International Nuclear Information System (INIS)

    Walter, G.R.

    1982-10-01

    Theoretical and experimental studies of the chemical and physical factors which affect molecular diffusion of dissolved substances from fractures into a tuffaceous rock matrix have been made on rocks from G-Tunnel and Yucca Mountain at the Nevada Test Site (NTS). A variety of groundwater tracers, which may be useful in field tests at the NTS, have also been developed and tested. Although a number of physical/chemical processes may cause nonconvective transport of dissolved species from fractures into the tuff matrix, molecular diffusion seems to be the most important process. Molecular diffusion in these rocks is controlled by the composition of the groundwater through multicomponent effects and several rock properties. The porosities of the samples studied ranged from about 0.1 to 0.4. The constrictivity-tortuosity parameter ranged from 0.1 and 0.3 and effective matrix-diffusion coefficients were measured to be between 2 to 17. x 10 -7 c, 2 /s for sodium halides and sodium pentafluorobenzoate. Total porosity was found to be the principle factor accounting for the variation in effective diffusion coefficients. The constrictivity-tortuosity factor was found to have a fair correlation (r = 0.75) with the median pore diameters measured by mercury intrusion. Measurements of bulk-rock electrical impedance changes with frequency indicate that the constrictivity factor has a maximum value of 0.8 to 1, but may be smaller. If the larger values are correct, then the diffusion paths in tuff are more tortuous than in granular media. Computation of the full diffusion-coefficient matrix for various tracers in J-13 well water from the NTS indicates coupling of the diffusion fluxes of all ionic species. These effects are being incorporated into a numerical model of multicomponent-matrix diffusion

  1. Theoretical Re-evaluations of Scaling Relations between SMBHs and Their Host Galaxies—1. Effect of Seed BH Mass

    Directory of Open Access Journals (Sweden)

    Hikari Shirakata

    2017-09-01

    Full Text Available We use a semi-analytic model of galaxy formation and investigate how the mass of a seed black hole affect the scaling relation between black hole mass and bulge mass at z ~ 0. When the mass of the seed is set at 105M⊙, we find that the model results become inconsistent with recent observational results of the scaling relation for dwarf galaxies. On the other hand, when we set seed black hole mass as 103M⊙ or as randomly chosen value within a 103-5M⊙ range, we find the results are consistent with observational results including the dispersion. We also find that black hole mass—bulge mass relations for less massive bulges at z ~ 0 put stronger constraints on the seed BH mass than the relations at higher redshifts.

  2. Theoretical and Experimental Studies of Microstructural Processes Related to Inelastic Stress-Strain Behavior of Cohesive Soils

    National Research Council Canada - National Science Library

    Anandarajah, Annalingam

    1997-01-01

    The primary objective of the study was to develop an understanding of the stress strain relationship and other related geotechnical properties of cohesive materials such as clays from a microstructural point of view...

  3. Institutional Levels of Analysis and the Evolution of Russia-EU Relations: Some Theoretical and Practical Aspects

    Directory of Open Access Journals (Sweden)

    Tatiana Romanova

    2016-12-01

    Full Text Available The level of analysis concept is an excellent tool for studying the evolution of international relations. This article focuses on the institutional approach of three levels of interaction: the intergovernmental level (IGL describes traditional contacts among heads of states or governments as well as among ministers; the transgovernmental level (TGL consists of relations among civil servants of middle and low rank; and the transnational level (TNL includes the dialogue of non-governmental participants such as business, non-governmental organizations (NGOs and epistemic communities. Robert Keohane and Joseph Nye identified TGL and TNL, but the studies of these levels has intensified as a result of burgeoning links among civil servants, business, NGOs and experts from different countries. Transgovernmental and transnational interactions stabilize relations among various actors. This article clarifies the stabilizing potential of TGL and TNL interactions. First, the degree of autonomy of civil servants from the political level of government has to be taken into account. Second, the state regulates the level of independence of both business and NGOs. TGL and TNL interactions can stabilize relations only if civil servants are independent from the political level in what concerns technical issues and where both business and civil society are strong. Third, real economic interdependence matters because it forms an agenda of cooperation in a particular field. The intensification of trade and investment flows does not automatically lead to real interdependence. In this case, contacts at the transgovernmental and transnational levels acquire a formal character and no cooperation emerges, which does not allow for stabilized relations in crisis situations at the IGL. The empirical section of the article demonstrates how widening and deepening relations between the European Union and Russia, especially since 2000, led to thickening transgovernmental and

  4. Selective Complexation of Cyanide and Fluoride Ions with Ammonium Boranes: A Theoretical Study on Sensing Mechanism Involving Intramolecular Charge Transfer and Configurational Changes.

    Science.gov (United States)

    Bhat, Haamid R; Jha, Prakash C

    2017-05-18

    The anion binding selectivity and the recognition mechanism of two isomeric boranes, namely, 4-[bis(2,4,6-trimethylphenyl)boranyl]-N,N,N-trimethylaniline ([p-(Mes 2 B)C 6 H 4 (NMe 3 )] + , 1, where "Mes" represents mesitylene and "Me" represents methyl) and 2-[bis(2,4,6-trimethylphenyl)boranyl]-N,N,N-trimethylaniline ([o-(Mes 2 B)C 6 H 4 (NMe 3 )] + , 2) has been investigated using density functional theory (DFT) and time dependent-density functional theory (TD-DFT) methods. Natural population analysis indicates that the central boron atoms in 1 and 2 are the most active centers for nucleophilic addition of anions. The negative magnitude of free energy changes (ΔG) reveals that out of CN - , F - , Cl - , Br - , NO 3 - , and HSO 4 - only the binding of CN - and F - with 1 and 2 is thermodynamically feasible and spontaneous. In addition, the calculated binding energies reveal that the CN - is showing lesser binding affinity than F - both with 1 and 2, while other ions, viz. NO 3 - , HSO 4 - , Br - , and Cl - , either do not bind at all or show very insignificant binding energy. The first excited states (S 1 ) of 1 and 2 are shown to be the local excited states with π → σ* transition by frontier molecular orbital analysis, whereas fourth excited states (S 4 ) of 4-[bis(2,4,6-trimethylphenyl)boranyl]-N,N,N-trimethylaniline cyanide ([p-(Mes 2 B)C 6 H 4 (NMe 3 )] CN, 1CN, the cyano form of 1) and 4-[bis(2,4,6-trimethylphenyl)boranyl]-N,N,N-trimethylaniline fluoride ([p-(Mes 2 B)C 6 H 4 (NMe 3 )] F, 1F, the fluoro form of 1) and fifth excited state (S 5 ) of 2-[bis(2,4,6-trimethylphenyl)boranyl]-N,N,N-trimethylaniline fluoride ([o-(Mes 2 B)C 6 H 4 (NMe 3 )] F, 2F, the fluoro form of 2) are charge separation states that are found to be responsible for the intramolecular charge transfer (ICT) process. The synergistic effect of ICT and partial configuration changes induce fluorescence quenching in 1CN, 1F, and 2F after a significant internal conversion (IC) from S 4 and

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

    Science.gov (United States)

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

    2010-01-01

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

  6. Mediators of the relation between childhood sexual abuse and women's sexual risk behavior: a comparison of two theoretical frameworks.

    Science.gov (United States)

    Senn, Theresa E; Carey, Michael P; Coury-Doniger, Patricia

    2012-12-01

    Childhood sexual abuse (CSA) is associated with sexual risk behavior in adulthood, but little research has investigated processes that might mediate this relation. The purpose of this study was to investigate whether constructs suggested by the traumagenic dynamics (TD) model (a theory of the effects of CSA) or constructs suggested by the information-motivation-behavioral skills (IMB) model (a theory of the antecedents of sexual risk behavior) better mediated the relation between CSA and sexual risk behavior in adulthood. Participants were 481 women attending a sexually transmitted infection clinic (66% African American) who completed a computerized survey as well as behavioral simulations assessing condom application and sexual assertiveness skills. Forty-five percent of the sample met criteria for CSA and CSA was associated with sexual risk behavior in adulthood. In multiple mediator models, the TD constructs mediated the relation between CSA and the number of sexual partners whereas the IMB constructs mediated the relation between CSA and unprotected sex. In addition, the TD constructs better mediated the relation between CSA and the number of sexual partners; the TD and IMB constructs did not differ in their ability to mediate the relation between CSA and unprotected sex. Sexual risk reduction interventions for women who were sexually abused should target not only the constructs from health behavior models (e.g., motivation and skills to reduce sexual risk), but also constructs that are specific to sexual abuse (e.g., traumatic sexualization and guilt).

  7. Transformation of Adolescent Peer Relations in the Social Media Context: Part 1-A Theoretical Framework and Application to Dyadic Peer Relationships.

    Science.gov (United States)

    Nesi, Jacqueline; Choukas-Bradley, Sophia; Prinstein, Mitchell J

    2018-04-07

    Investigators have long recognized that adolescents' peer experiences provide a crucial context for the acquisition of developmental competencies, as well as potential risks for a range of adjustment difficulties. However, recent years have seen an exponential increase in adolescents' adoption of social media tools, fundamentally reshaping the landscape of adolescent peer interactions. Although research has begun to examine social media use among adolescents, researchers have lacked a unifying framework for understanding the impact of social media on adolescents' peer experiences. This paper represents Part 1 of a two-part theoretical review, in which we offer a transformation framework to integrate interdisciplinary social media scholarship and guide future work on social media use and peer relations from a theory-driven perspective. We draw on prior conceptualizations of social media as a distinct interpersonal context and apply this understanding to adolescents' peer experiences, outlining features of social media with particular relevance to adolescent peer relations. We argue that social media transforms adolescent peer relationships in five key ways: by changing the frequency or immediacy of experiences, amplifying experiences and demands, altering the qualitative nature of interactions, facilitating new opportunities for compensatory behaviors, and creating entirely novel behaviors. We offer an illustration of the transformation framework applied to adolescents' dyadic friendship processes (i.e., experiences typically occurring between two individuals), reviewing existing evidence and offering theoretical implications. Overall, the transformation framework represents a departure from the prevailing approaches of prior peer relations work and a new model for understanding peer relations in the social media context.

  8. Theoretical Foundations of the Relations betweenControlling and Reporting according to IFRSDemonstrated by the Example of Segment Reporting according to IFRS 8

    Directory of Open Access Journals (Sweden)

    Marcell Schweitzer

    2009-11-01

    Full Text Available In this paper, the unilateral and reciprocal impact of transfer relations between controlling and reporting according to IFRS is analysed, using the example of internal and external segment reporting. In contrast to the pragmatic treatment of this problem by the International Accounting Standards Board (IASB, the transfer relations are examined in this paper on a theoretically substantiated basis. For this purpose, transfer hypotheses are formulated as general statements on the determinants and effects of reporting. They form the elements of a reporting theory. The analysis focuses on the full management approach, which has a number of effects for the transfer relation between internal and external segment reporting. In detail, on the basis of transfer hypotheses, the effects for controlling, for the structure of segment reporting, and for the auditing of segment reporting are presented and analysed. As the IFRS do not constitute a settled system of rules, open questions as to such a body of rules are also discussed. In doing so – also on the basis of transfer hypotheses – alternatives of the improvement of segment reporting are analysed. This is done with the aid of reliability hypotheses, valuation hypotheses, simplification hypotheses, steering hypotheses and addressees hypotheses. In this way, the theoretical substantiation of the transfer relations between controlling and reporting according to IFRS is scientifically established, both for the present structure of accounting and for future design alternatives.

  9. A theoretical model of biochemical control engineering based on the relation between oestrogens/progestagens and prostaglandins.

    Science.gov (United States)

    van der Veen, P H E

    2015-06-01

    A biological complex organism is involuntarily guided from all sides by measure and regulation systems. The human being is such a complex organism. Many cyclical processes are simultaneously at work, making it unclear how and why which process takes place at which moment. Noticeable examples are the 28-day menstrual cycle and the 40-week pregnancy. The time of activation in the middle of the menstrual is fairly clear. Hormonal changes also occur in this period. Why the hormonal changes occur, and what their relationship is with the activation of the processes is unclear. That is also the case during pregnancies. What is it that determines that a pregnancy should last an average of 40 weeks? What causes the changes in a complicated pregnancy? What are those changes? Prostaglandin concentrations have been found to have some relationship with these changes, but the activation of these changes and how to examine them is unknown. Using an example from practical experience, this article illustrates what Horrobin and Manku already reported in 1977, namely, the properties of prostaglandin E1 and 6-keto pgF1α: reversal effect with elevated concentration. The properties described is exceptionally suitable for the time of activation in a biochemically regulated measure and regulation system. These properties can help explain the occurrence of physiological cycles. The known electronic saw-tooth wave has a biochemical analogue with this. This paper describes the presumed relationship between hormones and the accompanying prostaglandins with the hormone effects based on what is known regarding their concentrations progress. This relationship reveals the practical consequences of the experimentally found sensitivity of biochemical effects with regard to the accompanying prostaglandins. This paper shows how the theoretical relationship between effects of oestrogens and progestagens result in a curve that comprise observable aspects of the Basal Body Temperature Curve. The

  10. EM∩IM: software for relating ion mobility mass spectrometry and electron microscopy data.

    Science.gov (United States)

    Degiacomi, Matteo T; Benesch, Justin L P

    2016-01-07

    We present EM∩IM, software that allows the calculation of collision cross-sections from electron density maps obtained for example by means of transmission electron microscopy. This allows the assessment of structures other than those described by atomic coordinates with ion mobility mass spectrometry data, and provides a new means for contouring and validating electron density maps. EM∩IM thereby facilitates the use of data obtained in the gas phase within structural biology studies employing diverse experimental methodologies.

  11. Theoretical Insight Into the Empirical Tortuosity-Connectivity Factor in the Burdine-Brooks-Corey Water Relative Permeability Model

    Science.gov (United States)

    Ghanbarian, Behzad; Ioannidis, Marios A.; Hunt, Allen G.

    2017-12-01

    A model commonly applied to the estimation of water relative permeability krw in porous media is the Burdine-Brooks-Corey model, which relies on a simplified picture of pores as a bundle of noninterconnected capillary tubes. In this model, the empirical tortuosity-connectivity factor is assumed to be a power law function of effective saturation with an exponent (μ) commonly set equal to 2 in the literature. Invoking critical path analysis and using percolation theory, we relate the tortuosity-connectivity exponent μ to the critical scaling exponent t of percolation that characterizes the power law behavior of the saturation-dependent electrical conductivity of porous media. We also discuss the cause of the nonuniversality of μ in terms of the nonuniversality of t and compare model estimations with water relative permeability from experiments. The comparison supports determining μ from the electrical conductivity scaling exponent t, but also highlights limitations of the model.

  12. Nanomechanical investigation of ion implanted single crystals - Challenges, possibilities and pitfall traps related to nanoindentation

    Science.gov (United States)

    Kurpaska, Lukasz

    2017-10-01

    Nanoindentation technique have developed considerably over last thirty years. Nowadays, commercially available systems offer very precise measurement in nano- and microscale, environmental noise cancelling (or at least noise suppressing), in situ high temperature indentation in controlled atmosphere and vacuum conditions and different additional options, among them dedicated indentation is one of the most popular. Due to its high precision, and ability to measure mechanical properties from very small depths (tens of nm), this technique become quite popular in the nuclear society. It is known that ion implantation (to some extent) can simulate the influence of neutron flux. However, depth of the material damage is very limited resulting in creation of thin layer of modified material over unmodified bulk. Therefore, only very precise technique, offering possibility to control depth of the measurement can be used to study functional properties of the material. For this reason, nanoindentation technique seems to be a perfect tool to investigate mechanical properties of ion implanted specimens. However, conducting correct nanomechanical experiment and extracting valuable mechanical parameters is not an easy task. In this paper a discussion about the nanoindentation tests performed on ion irradiated YSZ single crystal is presented. The goal of this paper is to discuss possible traps when studying mechanical properties of such materials and thin coatings.

  13. Relation between the swelling and the disordering in ionic crystals irradiated by fast heavy ions

    International Nuclear Information System (INIS)

    Boccanfuso, M.

    2001-12-01

    When fast heavy ions penetrate in matter, they slow down essentially by depositing their energy on the electrons. This can lead to strong electronic excitation densities in the solid and then to structural modifications. In this work, calcium fluoride (CaF 2 ) was used to look further into the damage induced by irradiation with fast heavy ions in ionic crystals. Four techniques were mainly employed to characterise this damage. These techniques of analysis are wide angle X-ray diffraction, surface profilometry, Rutherford backscattering spectrometry and UV-visible optical absorption spectroscopy. The results of this work show that CaF 2 answers in a multiple way to the electronic excitations. For stopping powers higher than approximately 5 keV/nm, a polygonization seems to occur. This causes a structural disorder, a swelling of 0.27 % and the formation of fractures in the material. A second damage mechanism is caused above approximately 13 keV/nm and results in a loss of the initial crystalline structure. However, optical centres appear whatever the ion stopping power, which indicates that these defects cannot be the cause of the two above mentioned damage mechanisms. According to a thermal spike model, the two thresholds can be linked to melting and sublimation energy of the material, respectively. (author)

  14. Theoretical chemistry

    International Nuclear Information System (INIS)

    Anon.

    1975-01-01

    Work in theoretical chemistry was organized under the following topics: scattering theory and dynamics (elastic scattering of the rare gas hydrides, inelastic scattering in Li + H 2 , statistical theory for bimolecular collisions, model study of dissociative scattering, comparative study of elastic scattering computational methods), studies of atmospheric diatomic and triatomic species, structure and spectra of diatomic molecules, the evaluation of van der Waals forces, potential energy surfaces and structure and dynamics, calculation of molecular polarizabilities, and development of theoretical techniques and computing systems. Spectroscopic parameters are tabulated for NO 2 , N 2 O, H 2 O + , VH, and NH. Self-consistent-field wave functions were computed for He 2 in two-center and three-center bases. Rare gas hydride intermolecular potentials are shown. (9 figures, 14 tables) (U.S.)

  15. Social Responsibility of Partners of Labour Relations as a Factor of Rational Use of Labour Potential: Theoretical and Methodological Approach

    OpenAIRE

    Serikova Olga M.

    2013-01-01

    The article considers social responsibility of the employer and employee as a component of the socially responsible business. It identifies that social responsibility should be directed at such components as introduction of social programmes and improvement of labour conditions; establishment of the social dialogue; business self-perfection that is realised in responsibility for results of labour; increase of responsibility when performing work; use of ethic principles of relations with colle...

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

    Science.gov (United States)

    Itoh, Takanori; Imai, Hideto

    2018-03-01

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

  17. Protonation of caffeine: A theoretical and experimental study

    Energy Technology Data Exchange (ETDEWEB)

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

    2013-03-29

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

  18. Theoretical study on the adsorption and relative stability of conformers of L-ascorbic acid on γ - alumina (100) surface

    Science.gov (United States)

    Mozaffari Majd, M.; Dabbagh, H. A.; Farrokhpour, H.; Najafi Chermahini, A.

    2017-11-01

    The adsorption energies (Eads) and relative stabilities of selected conformers of the most stable tautomer of L-ascorbic acid (vitamin C) on the dehydroxylated γ-alumina (100) surface were calculated in both gas phase and solvent (water) using the density functional theory (DFT) method. The selected conformers were related to the different rotational angles of OH groups of L-ascorbic acid. The conformational analysis of bare tautomer in both gas and water showed that the conformer No.20 (conf. 20) and 13 (conf. 13) with the dihedral angles of H15sbnd O10sbnd C11sbnd C9 (-73°) and H20sbnd O19sbnd C9sbnd C11 (-135°) were the most stable and unstable conformers, respectively. The performed calculations in the presence of surface showed that the interaction of the conformers with the surface changes their relative stabilities and structures in both gas phase and water. The Ead of each conformer was calculated and it was determined that conf. 8 and conf. 16 have the highest value of Ead in the gas phase (-62.56 kcal/mol) and water (-54.44 kcal/mol), respectively. The optimized structure of each conformer on the surface and the number of hydrogen bonds between it and surface along with their bond lengths were determined.

  19. 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....

  20. Nuclear and electronic energy loss of noble gas ions bombarding solid benzene and relative chemical effects

    Energy Technology Data Exchange (ETDEWEB)

    Puglisi, O.; Marletta, G.; Torrisi, A. (Catania Univ. (Italy). Ist. di Chimica e Chimica Industriale); Foti, G.; Torrisi, L. (Catania Univ. (Italy). Ist. di Struttura della Materia)

    1982-10-01

    Solid benzene has been bombarded with several inert gas ions at various energies ranging between 15 to 100 keV. Under these conditions the energy deposition (eta) which occurs via nuclear collisions ranged between 4 x 10/sup -3/ to 1 of total energy loss. After implantation many products have been found in the target, and good correlation between the C/sub 13/ product yield and eta has been found. This correlation is explained in terms of different fragmentation events which occur after electronic and nuclear energy deposition.

  1. Spectra of KeV Protons Related to Ion-Cyclotron Wave Packets

    Science.gov (United States)

    Khazanov, G. V.; Sibeck, D. G.; Tel'Nikhin, A. A.; Kronberg, T. K.

    2017-01-01

    We use the Fokker-Planck-Kolmogorov equation to study the statistical aspects of stochastic dynamics of the radiation belt (RB) protons driven by nonlinear electromagnetic ion-cyclotron (EMIC) wave packets. We obtain the spectra of keV protons scattered by these waves that showsteeping near the gyroresonance, the signature of resonant wave-particle interaction that cannot be described by a simple power law. The most likely mechanism for proton precipitation events in RBs is shown to be nonlinear wave-particle interaction, namely, the scattering of RB protons into the loss cone by EMIC waves.

  2. Theoretical physics and astrophysics

    CERN Document Server

    Ginzburg, Vitalii Lazarevich

    1979-01-01

    The aim of this book is to present, on the one hand various topics in theoretical physics in depth - especially topics related to electrodynamics - and on the other hand to show how these topics find applications in various aspects of astrophysics. The first text on theoretical physics and astrophysical applications, it covers many recent advances including those in X-ray, &ggr;-ray and radio-astronomy, with comprehensive coverage of the literature

  3. Gas-phase reactions of the bare Th2+ and U2+ ions with small alkanes, CH4, C2H6, and C3H8: experimental and theoretical study of elementary organoactinide chemistry.

    Science.gov (United States)

    Di Santo, Emanuela; Santos, Marta; Michelini, Maria C; Marçalo, Joaquim; Russo, Nino; Gibson, John K

    2011-02-16

    The gas-phase reactions of two dipositive actinide ions, Th(2+) and U(2+), with CH(4), C(2)H(6), and C(3)H(8) were studied by both experiment and theory. Fourier transform ion cyclotron resonance mass spectrometry was employed to study the bimolecular ion-molecule reactions; the potential energy profiles (PEPs) for the reactions, both observed and nonobserved, were computed by density functional theory (DFT). The experiments revealed that Th(2+) reacts with all three alkanes, including CH(4) to produce ThCH(2)(2+), whereas U(2+) reacts with C(2)H(6) and C(3)H(8), with different product distributions than for Th(2+). The comparative reactivities of Th(2+) and U(2+) toward CH(4) are well explained by the computed PEPs. The PEPs for the reactions with C(2)H(6) effectively rationalize the observed reaction products, ThC(2)H(2)(2+) and UC(2)H(4)(2+). For C(3)H(8) several reaction products were experimentally observed; these and additional potential reaction pathways were computed. The DFT results for the reactions with C(3)H(8) are consistent with the observed reactions and the different products observed for Th(2+) and U(2+); however, several exothermic products which emerge from energetically favorable PEPs were not experimentally observed. The comparison between experiment and theory reveals that DFT can effectively exclude unfavorable reaction pathways, due to energetic barriers and/or endothermic products, and can predict energetic differences in similar reaction pathways for different ions. However, and not surprisingly, a simple evaluation of the PEP features is insufficient to reliably exclude energetically favorable pathways. The computed PEPs, which all proceed by insertion, were used to evaluate the relationship between the energetics of the bare Th(2+) and U(2+) ions and the energies for C-H and C-C activation. It was found that the computed energetics for insertion are entirely consistent with the empirical model which relates insertion efficiency to the

  4. Vacancy-related defects in n-type Si implanted with a rarefied microbeam of accelerated heavy ions in the MeV range

    Energy Technology Data Exchange (ETDEWEB)

    Capan, I. [Rudjer Boskovic Institute, Bijenička 54, 10000 Zagreb (Croatia); Pastuović, Ž., E-mail: zkp@ansto.gov.au [Center for Accelerator Science, ANSTO, Locked bag 2001, Kirrawee Dc, NSW 2232 (Australia); Siegele, R. [Center for Accelerator Science, ANSTO, Locked bag 2001, Kirrawee Dc, NSW 2232 (Australia); Jaćimović, R. [Jozef Stefan Institute, Jamova Cesta 39, 1000 Ljubljana (Slovenia)

    2016-04-01

    Deep level transient spectroscopy (DLTS) has been used to study vacancy-related defects formed in bulk n-type Czochralski-grown silicon after implantation of accelerated heavy ions: 6.5 MeV O, 10.5 MeV Si, 10.5 MeV Ge, and 11 MeV Er in the single ion regime with fluences from 10{sup 9} cm{sup −2} to 10{sup 10} cm{sup −2} and a direct comparison made with defects formed in the same material irradiated with 0.7 MeV fast neutron fluences up to 10{sup 12} cm{sup −2}. A scanning ion microprobe was used as the ion implantation tool of n-Cz:Si samples prepared as Schottky diodes, while the ion beam induced current (IBIC) technique was utilized for direct ion counting. The single acceptor state of the divacancy V{sub 2}(−/0) is the most prominent defect state observed in DLTS spectra of n-CZ:Si samples implanted by selected ions and the sample irradiated by neutrons. The complete suppression of the DLTS signal related to the double acceptor state of divacancy, V{sub 2}(=/−) has been observed in all samples irradiated by ions and neutrons. Moreover, the DLTS peak associated with formation of the vacancy-oxygen complex VO in the neutron irradiated sample was also completely suppressed in DLTS spectra of samples implanted with the raster scanned ion microbeam. The reason for such behaviour is twofold, (i) the local depletion of the carrier concentration in the highly disordered regions, and (ii) the effect of the microprobe-assisted single ion implantation. The activation energy for electron emission for states assigned to the V{sub 2}(−/0) defect formed in samples implanted by single ions follows the Meyer–Neldel rule. An increase of the activation energy is strongly correlated with increasing ion mass.

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

    International Nuclear Information System (INIS)

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

    2007-01-01

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

  6. Social Responsibility of Partners of Labour Relations as a Factor of Rational Use of Labour Potential: Theoretical and Methodological Approach

    Directory of Open Access Journals (Sweden)

    Serikova Olga M.

    2013-11-01

    Full Text Available The article considers social responsibility of the employer and employee as a component of the socially responsible business. It identifies that social responsibility should be directed at such components as introduction of social programmes and improvement of labour conditions; establishment of the social dialogue; business self-perfection that is realised in responsibility for results of labour; increase of responsibility when performing work; use of ethic principles of relations with colleagues in the company policy; facilitation to realisation of ecological programmes, open presentation of information about activity of the organisation, influencing the society, economy and environment. Increase of social responsibility would facilitate increase of the level of use of the labour potential. Special attention is paid to ecological responsibility of business as a component of social responsibility, which becomes topical today under conditions of growth of the number of ecological problems.

  7. Theoretical prediction of condensed phase heat of formation of nitramines, nitrate esters, nitroaliphatics and related energetic compounds.

    Science.gov (United States)

    Keshavarz, Mohammad Hossein

    2006-08-21

    An empirical approach is presented for calculation heats of formation of nitramines, nitrate esters, nitroaliphatics and related energetic compounds which contain at least one of the functional groups including N-NO(2), C-ONO(2) or nonaromatic C-NO(2). This approach is based on elemental composition and various structural and functional group parameters of C(a)H(b)N(c)O(d) energetic compounds. Heat of formation for 78 nitrocompounds including nitramines, nitrate esters, nitroaliphatics and the data obtained is compared with experimental data. Root mean square (rms) of deviation for 19 well known of mentioned energetic compounds are also compared with complex quantum mechanical computations which show 23.8 and 21.3 kJ/mol for new and quantum mechanical methods, respectively. Predicted condensed phase heats of formation for remainder 59 energetic molecules with complex molecular structures have a rms deviation from experiment of 42.3 kJ/mol.

  8. Brain metabolites of lindane and related isomers: identification by negative ion mass spectrometry.

    Science.gov (United States)

    Artigas, F; Martínez, E; Camón, L; Gelpí, E; Rodríguez-Farré, E

    1988-04-01

    The application of a new method of gas chromatography-mass spectrometry (GC-MS) to the study of some aspects of the metabolism of hexachlorocyclohexanes is presented. Instead of the classical mode of ionization (Electron Impact, EI), this method uses chemical ionization, recording only the negative ions produced. This enables a tremendous enhancement of the signal when chlorinated compounds elute from the chromatographic column. The mass spectra obtained consist generally in the ions corresponding to the molecular weight of the compound analyzed. The sensitivity of the method is higher than any other GC method described: the limit of detection of several organochlorine compounds can be as low as 60 femtograms. Using this method we have been able to identify several Lindane metabolites (tetra-, penta- and hexachlorocyclohexenes, tetra- and pentachlorobenzene) in rat brain homogenates without any purification step. Using this method, a quantitative study of the main metabolites found in brain after treatment with 4 different HCH isomers has been performed. This study reveals that the HCH isomers are cleared from the brain via different metabolic pathways, with a rate of production of metabolites which is inversely correlated to their half lives in brain.

  9. Theoretical physics

    CERN Document Server

    Joos, Georg

    1986-01-01

    Among the finest, most comprehensive treatments of theoretical physics ever written, this classic volume comprises a superb introduction to the main branches of the discipline and offers solid grounding for further research in a variety of fields. Students will find no better one-volume coverage of so many essential topics; moreover, since its first publication, the book has been substantially revised and updated with additional material on Bessel functions, spherical harmonics, superconductivity, elastomers, and other subjects.The first four chapters review mathematical topics needed by theo

  10. Understanding the relationships among HIV/AIDS-related stigma, health service utilization, and HIV prevalence and incidence in Sub-Saharan Africa: a multi-level theoretical perspective.

    Science.gov (United States)

    Williams, Leslie D

    2014-03-01

    HIV-positive individuals often face community-wide discrimination or public shame and humiliation as a result of their HIV-status. In Sub-Saharan Africa, high HIV incidence coupled with unique cultural contexts make HIV-positive individuals particularly likely to experience this kind of HIV/AIDS-related (HAR) stigma. To date, there is a relatively small amount of high-quality empirical literature specific to HAR stigma in this context, supporting the notion that a better understanding of this phenomenon is needed to inform potential interventions. This paper provides a thorough review of the literature specific to HAR stigma in Sub-Saharan Africa, finding (a) qualitative support for the existence of important relationships between HAR stigma and health service utilization and barriers; (b) a need for more quantitative study of stigma and its relationships both to health service utilization and to HIV outcomes directly; and (c) a disconnect between methodological techniques used in this context-specific literature and well-known theories about stigma as a general phenomenon. This paper then draws from its empirical literature review, as well as from well-known theoretical frameworks from multiple disciplines, to propose a theoretical framework for the ecological and multilevel relationships among HAR stigma, health service utilization, and HIV outcomes in this context.

  11. Affectionate Touch to Promote Relational, Psychological, and Physical Well-Being in Adulthood: A Theoretical Model and Review of the Research.

    Science.gov (United States)

    Jakubiak, Brittany K; Feeney, Brooke C

    2017-08-01

    Throughout the life span, individuals engage in affectionate touch with close others. Touch receipt promotes well-being in infancy, but the impacts of touch in adult close relationships have been largely unexplored. In this article, we propose that affectionate touch receipt promotes relational, psychological, and physical well-being in adulthood, and we present a theoretical mechanistic model to explain why affectionate touch may promote these outcomes. The model includes pathways through which touch could affect well-being by reducing stress and by promoting well-being independent of stress. Specifically, two immediate outcomes of affectionate touch receipt-relational-cognitive changes and neurobiological changes-are described as important mechanisms underlying the effects of affectionate touch on well-being. We also review and evaluate the existing research linking affectionate touch to well-being in adulthood and propose an agenda to advance research in this area. This theoretical perspective provides a foundation for future work on touch in adult close relationships.

  12. Magnetic field related mechanical tolerances for the proposed Chalk River superconducting heavy-ion cyclotron

    International Nuclear Information System (INIS)

    Heighway, E.A.; Chaplin, K.R.

    1977-11-01

    A four sector azimuthally varying field cyclotron with superconducting main coils has been proposed as a heavy-ion post-accelerator for the Chalk River MP Tandem van de Graaff. The radial profile of the average axial field will be variable using movable steel trim rods. The field errors due to coil, trim rod and flutter pole imperfections are calculated. Those considered are errors in the axial field, first and second azimuthal harmonic axial fields, transverse field and first azimuthal harmonic transverse field. Such fields induce phase slip, axial or radial coherent oscillations and can result in axial or radial beam instability. The allowed imperfections (tolerances) required to retain stability and maintain acceptably small coherent oscillation amplitudes are calculated. (author)

  13. Material-related issues at high-power and high-energy ion beam facilities

    CERN Document Server

    Bender, M.; Tomut, M.; Trautmann, C.

    2015-01-01

    When solids are exposed to energetic ions (MeV-GeV), their physical and chemical structure can be severely modified. The change is governed by ultrafast dynamical processes starting from the deposition of large energy densities, electronic excitation and ionization processes, and finally damage creation in the atomic lattice system. In many materials, each projectile creates a cylindrical track with a few nanometers in diameter and up to many μm in length. To study and monitor the creation of damage, the GSI irradiation facility dedicated to materials science provides different in-situ and on-line techniques such as high resolution microscopy, X-ray diffraction, optical absorption spectroscopy, thermal imaging and residual gas analysis. The irradiation experiments can be performed under various gas atmospheres and under cryogenic or elevated temperature.

  14. Lattice location study of ion implanted Sn and Sn-related defects in Ge

    CERN Document Server

    Decoster, S; Wahl, U; Correia, J G; Vantomme, A

    2010-01-01

    In this work, we present a lattice location study of Sn in Ge. From emission channeling experiments, we determined the exact lattice location of ion implanted $^{121}$Sn atoms and compared the results to predictions from density-functional calculations. The majority of the Sn atoms are positioned on the substitutional site, as can be expected for an isovalent impurity, while a second significant fraction occupies the sixfold coordinated bond-centered site, which is stable up to at least 400 °C. Corroborated by ab initio calculations, we attribute this fraction of bond-centered Sn atoms to the Sn-vacancy defect complex in the split-vacancy configuration. Furthermore, we are able to assign specific defect complex geometries to resonances from earlier Mössbauer spectroscopy studies of Sn in Ge.

  15. Salts and nutrients present in regenerated waters induce changes in water relations, antioxidative metabolism, ion accumulation and restricted ion uptake in Myrtus communis L. plants.

    Science.gov (United States)

    Acosta-Motos, José R; Alvarez, Sara; Barba-Espín, Gregorio; Hernández, José A; Sánchez-Blanco, María J

    2014-12-01

    The use of reclaimed water (RW) constitutes a valuable strategy for the efficient management of water and nutrients in landscaping. However, RW may contain levels of toxic ions, affecting plant production or quality, a very important aspect for ornamental plants. The present paper evaluates the effect of different quality RWs on physiological and biochemical parameters and the recovery capacity in Myrtus communis L. plants. M. communis plants were submitted to 3 irrigation treatments with RW from different sources (22 weeks): RW1 (1.7 dS m(-1)), RW2 (4.0 dS m(-1)) and RW3 (8.0 dS m(-1)) and one control (C, 0.8 dS m(-1)). During a recovery period of 11 weeks, all plants were irrigated with the control water. The RW treatments did not negatively affect plant growth, while RW2 even led to an increase in biomass. After recovery,only plants irrigated with RW3 showed some negative effects on growth, which was related to a decrease in the net photosynthesis rate, higher Na accumulation and a reduction in K levels. An increase in salinity was accompanied by decreases in leaf water potential, relative water content and gas exchange parameters, and increases in Na and Cl uptake. Plants accumulated Na in roots and restricted its translocation to the aerial part. The highest salinity levels produced oxidative stress, as seen from the rise in electrolyte leakage and lipid peroxidation. The use of regenerated water together with carefully managed drainage practices, which avoid the accumulation of salt by the substrate, will provide economic and environmental benefits.

  16. Theoretical elements for a historical approach to the family and its relations of violence during the transition between the XXth and XXIst centuries

    Directory of Open Access Journals (Sweden)

    Bárbara Yadira García Sánchez

    2016-01-01

    Full Text Available The objective of this article is to relect upon the history of the ield of contemporary family and its changes from the revolution of youth in 1960s until the irst decade of the XXIst century. This historical approach is linked to the study of relations of violence inside the family context. The implementation of certain theoretical and methodological concepts allowed us to establish a contrast between several time periods, starting from the present and going back to situations of the past, following the track of micro social conlicts expressed in violence toward parental igures, as well as in violence between siblings, all of which are analyzed as typologies of what has been called domestic violence. The theoretical relection is supported by some approaches of Pierre Bourdieu regarding the reproduction of symbolic violence, and more speciically, the strategies of its reproduction in the ield of family. We emphasize on the strategies of symbolic, ethicaland educational inversion. The data used to support this article is taken from the database of two research projects on school violence in Bogota between 2009 and 2015.

  17. Alkali Metal Ion Complexes with Phosphates, Nucleotides, Amino Acids, and Related Ligands of Biological Relevance. Their Properties in Solution.

    Science.gov (United States)

    Crea, Francesco; De Stefano, Concetta; Foti, Claudia; Lando, Gabriele; Milea, Demetrio; Sammartano, Silvio

    2016-01-01

    Alkali metal ions play very important roles in all biological systems, some of them are essential for life. Their concentration depends on several physiological factors and is very variable. For example, sodium concentrations in human fluids vary from quite low (e.g., 8.2 mmol dm(-3) in mature maternal milk) to high values (0.14 mol dm(-3) in blood plasma). While many data on the concentration of Na(+) and K(+) in various fluids are available, the information on other alkali metal cations is scarce. Since many vital functions depend on the network of interactions occurring in various biofluids, this chapter reviews their complex formation with phosphates, nucleotides, amino acids, and related ligands of biological relevance. Literature data on this topic are quite rare if compared to other cations. Generally, the stability of alkali metal ion complexes of organic and inorganic ligands is rather low (usually log K  Na(+) > K(+) > Rb(+) > Cs(+). For example, for citrate it is: log K ML = 0.88, 0.80, 0.48, 0.38, and 0.13 at 25 °C and infinite dilution. Some considerations are made on the main aspects related to the difficulties in the determination of weak complexes. The importance of the alkali metal ion complexes was also studied in the light of modelling natural fluids and in the use of these cations as probes for different processes. Some empirical relationships are proposed for the dependence of the stability constants of Na(+) complexes on the ligand charge, as well as for correlations among log K values of NaL, KL or LiL species (L = generic ligand).

  18. Linear rate-equilibrium relations arising from ion channel-bilayer energetic coupling

    DEFF Research Database (Denmark)

    Greisen, Per Junior; Lum, Kevin; Ashrafuzzaman, Md

    2011-01-01

    on the changes in bilayer elastic energy associated with channel gating. We are not aware that a similar simple mechanistic explanation of a linear RE relation has been provided for a chemical reaction in a macromolecule. RE relations generally should be useful for examining how amphiphile-induced changes......Linear rate-equilibrium (RE) relations, also known as linear free energy relations, are widely observed in chemical reactions, including protein folding, enzymatic catalysis, and channel gating. Despite the widespread occurrence of linear RE relations, the principles underlying the linear relation...... between changes in activation and equilibrium energy in macromolecular reactions remain enigmatic. When examining amphiphile regulation of gramicidin channel gating in lipid bilayers, we noted that the gating process could be described by a linear RE relation with a simple geometric interpretation...

  19. PFISR nightside observations of naturally enhanced ion acoustic lines, and their relation to boundary auroral features

    Directory of Open Access Journals (Sweden)

    R. G. Michell

    2008-11-01

    Full Text Available We present results from a coordinated camera and radar study of the auroral ionosphere conducted during March of 2006 from Poker Flat, Alaska. The campaign was conducted to coincide with engineering tests of the first quarter installation of the Poker Flat Incoherent Scatter Radar (PFISR. On 31 March 2006, a moderately intense auroral arc, (~10 kR at 557.7 nm, was located in the local magnetic zenith at Poker Flat. During this event the radar observed 7 distinct periods of abnormally large backscattered power from the F-region. These were only observed in the field-aligned radar beam, and radar spectra from these seven times show naturally enhanced ion-acoustic lines (NEIALs, the first observed with PFISR. These times corresponded to (a when the polar cap boundary of the auroral oval passed through the magnetic zenith, and (b when small-scale filamentary dark structures were visible in the magnetic zenith. The presence of both (a and (b was necessary for their occurrence. Soft electron precipitation occurs near the magnetic zenith during these same times. The electron density in the vicinity where NEIALs have been observed by previous studies is roughly between 5 and 30×1010 m−3. Broad-band extremely low frequency (BBELF wave activity is observed in situ by satellites and sounding rockets to occur with similar morphology, during active auroral conditions, associated with the poleward edge of the aurora and soft electron precipitation. The observations presented here suggest further investigation of the idea that NEIALs and BBELF wave activity are differently-observed aspects of the same wave phenomenon. If a connection between NEIALs and BBELF can be established with more data, this could provide a link between in situ measurements of downward current regions (DCRs and dynamic aurora, and ground-based observations of dark auroral structures and NEIALs. Identification of in situ processes, namely wave activity, in ground-based signatures could

  20. PFISR nightside observations of naturally enhanced ion acoustic lines, and their relation to boundary auroral features

    Directory of Open Access Journals (Sweden)

    R. G. Michell

    2008-11-01

    Full Text Available We present results from a coordinated camera and radar study of the auroral ionosphere conducted during March of 2006 from Poker Flat, Alaska. The campaign was conducted to coincide with engineering tests of the first quarter installation of the Poker Flat Incoherent Scatter Radar (PFISR. On 31 March 2006, a moderately intense auroral arc, (~10 kR at 557.7 nm, was located in the local magnetic zenith at Poker Flat. During this event the radar observed 7 distinct periods of abnormally large backscattered power from the F-region. These were only observed in the field-aligned radar beam, and radar spectra from these seven times show naturally enhanced ion-acoustic lines (NEIALs, the first observed with PFISR. These times corresponded to (a when the polar cap boundary of the auroral oval passed through the magnetic zenith, and (b when small-scale filamentary dark structures were visible in the magnetic zenith. The presence of both (a and (b was necessary for their occurrence. Soft electron precipitation occurs near the magnetic zenith during these same times. The electron density in the vicinity where NEIALs have been observed by previous studies is roughly between 5 and 30×1010 m−3. Broad-band extremely low frequency (BBELF wave activity is observed in situ by satellites and sounding rockets to occur with similar morphology, during active auroral conditions, associated with the poleward edge of the aurora and soft electron precipitation. The observations presented here suggest further investigation of the idea that NEIALs and BBELF wave activity are differently-observed aspects of the same wave phenomenon. If a connection between NEIALs and BBELF can be established with more data, this could provide a link between in situ measurements of downward current regions (DCRs and dynamic aurora, and ground-based observations of dark auroral structures and NEIALs. Identification of in situ processes, namely wave activity, in ground

  1. Theoretical Re-evaluations of Scaling Relations between SMBHs and Their Host Galaxies–2. Importance of AGN Feedback Suggested by Stellar Age–Velocity Dispersion Relation

    Directory of Open Access Journals (Sweden)

    Hikari Shirakata

    2017-09-01

    Full Text Available We present the galactic stellar age—velocity dispersion relation obtained from a semi-analytic model of galaxy formation. We divide galaxies into two populations: galaxies which have over-massive/under-massive black holes (BHs against the best-fitting BH mass—velocity dispersion relation. We find that galaxies with larger velocity dispersion have older stellar ages. We also find that galaxies with over-massive BHs have older stellar ages. These results are consistent with observational results obtained from Martín-Navarro et al. (2016. We tested the model with weak AGN feedback and find that galaxies with larger velocity dispersion have a younger stellar age.

  2. THEORETICAL APPROACHES IN INTERNATIONAL RELATIONS ...

    African Journals Online (AJOL)

    plt

    hard and soft power, to bandwagoning, buffering, binding and niche diplomacy. Case studies from different contexts have also demonstrated that strategies of regional powers cannot be defined in simple categorisations.87. This makes defence planning for regional powers such as South Africa one of the most challenging ...

  3. Fourier transform ion cyclotron resonance mass spectrometry: technique developments

    Science.gov (United States)

    Marshall, Alan G.; Schweikhard, Lutz

    1992-09-01

    In the three years since the 11th International Mass Spectrometry Conference, Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry has advanced both theoretically and experimentally with respect to ion formation and transfer to the ion trap, ion trap design and operation, ion excitation and detection, data reduction, and in chemical and analytical applications. In this short review, we shall describe several new ion sources for FT-ICR MS (e.g. high pressure, fast neutral beam, and continuous- flow atom bombardment), various new ion traps employing screens (e.g. for simultaneous trapping of positive and negative ions), guard wires (for improved isotopic abundance accuracy), and multiple sections. In addition, the ICR excitation and detection processes have recently been treated in quite full theoretical detail, leading to improved understanding of the origin and relative magnitudes of signals at multiples and combinations of the three fundamental ion frequencies: cyclotron, magnetron, and trapping. Recent chemical applications of FT-ICR MS have concentrated on ion/molecule chemistry (e.g. clusters, such as C60), whereas the primary analytical applications have come from laser desorption FT-ICR MS (e.g. polymers, surface analysis).

  4. Variations in Calcium and Alginate Ions Concentration in Relation to the Properties of Calcium Alginate Nanoparticles

    Directory of Open Access Journals (Sweden)

    Hamed Daemi

    2013-05-01

    Full Text Available Alginate belongs to a group of natural polymers called polysaccharides. They have carboxylic functional groups beside hydroxyls which are common in all polysaccharides. These materials show interesting properties due to theirfunctional groups. One of these properties is the ability of this polymer as a suitable carrier of protecting and transferring drugs and biomolecules. The particle sizes of these polymers are very important for their applications, so different techniques were used for preparation of these materials. In this way polymeric nanoparticles of calcium alginate which are excellent carriers in drug delivery systems were prepared by addition of calcium chloride solution to dilute solution of sodium alginate. Investigation of the size and distribution of nanoparticles were analyzed by SEM method. The concentration effects of both alginate and calcium ions on the size and distribution of  nanoparticles were studied in this research. Results showed that the size of nanoparticles obviously decreased with decreasing polymeric alginate concentration because of lower active sites in polymer chain. On the other hand, thesize and distribution of nanoparticles are significantly improved with increase of calcium cation concentrations. The mean particle size 40-70 nm and spherical shape are the main characteristics of the prepared nanoparticles.

  5. The Enigma of HIV/AIDS-related Stigma. A theoretical exploration of HIV/AIDS-related stigma in Sub Saharan Africa

    OpenAIRE

    Lorentzen, Kari; Morris, Stine

    2003-01-01

    29.4 million people are living with HIV/AIDS in Sub Saharan Africa. Despite this high prevalence, HIV/AIDS is a highly stigmatised disease. The United Nations Programme on HIV/AIDS recognize HIV/AIDS-related stigma as one of the greatest barriers to preventing further infections, and to providing adequate treatment, care and support for people living with HIV/AIDS. Stigma, under the slogan Live and let live , is also the focus of the World AIDS Campaign for 2002-2003. This...

  6. RELATION BETWEEN BASIC PHYSICAL CAPABILITIES AND THE THEORETIC KNOWLEDGE LAWS OF THE GAME WITH THE SUCCESS OF REFREEING OF FOOTBALL REFEREES

    Directory of Open Access Journals (Sweden)

    Rusmir Mrković

    2011-03-01

    Full Text Available The aim of this research is to establish a relation in-between the basic physical capabilities and the theoretic knowledge laws of the game with the success in refereeing of football referees of the Sarajevo Canton. The population from which samples were taken are football referees of the Sarajevo Canton, 90 of them, age span from 18- 45 years of age and who have met the criteria for getting a license to be referees in football matches in the next season at all levels of competition in Bosnia and Herzegovina. The sample of variables in this research covers areas of basic motorics (18, theoretic knowledge laws of the games (17 and the estimate of success in refereeing in football games (7 variables. The results of the final analysis show that the whole system of variables which in this research represent basic physical capabilities and the knowledge Laws of the game by the football referees of the Sarajevo Canton has a statistical connection with the system of variables which in this research makes the success of refereeing of football referees. Since football is an activity that has almost the most complexity (referees are a part of football, we can say that the selected system of variables has a relatively good connection for success and that these variables are very important in order for one referee to perform his task as good as possible at one match.. Of course during the training process attention should be given on the development of all basic physical capabilities, and not only one dimension of the physical area because in general we have to be physically and cognitively be present in order to finish the game at a high rhythm but making mistakes the least as possible

  7. Theoretical geodesy

    Directory of Open Access Journals (Sweden)

    Borkowski Andrzej

    2015-12-01

    Full Text Available The paper presents a summary of research activities concerning theoretical geodesy performed in Poland in the period of 2011-2014. It contains the results of research on new methods of the parameter estimation, a study on robustness properties of the M-estimation, control network and deformation analysis, and geodetic time series analysis. The main achievements in the geodetic parameter estimation involve a new model of the M-estimation with probabilistic models of geodetic observations, a new Shift-Msplit estimation, which allows to estimate a vector of parameter differences and the Shift-Msplit(+ that is a generalisation of Shift-Msplit estimation if the design matrix A of a functional model has not a full column rank. The new algorithms of the coordinates conversion between the Cartesian and geodetic coordinates, both on the rotational and triaxial ellipsoid can be mentioned as a highlights of the research of the last four years. New parameter estimation models developed have been adopted and successfully applied to the control network and deformation analysis.

  8. Outcome of revision arthroplasty for failed metal-on-metal total hip replacements; is there a relation with metal ions?

    Science.gov (United States)

    Iqbal, Hafiz J; Al-Azzani, Waheeb A K; Jackson-Taylor, Esther; Clatworthy, Elizabeth; John, Alun

    2017-05-12

    We aimed to assess the early outcome following revision arthroplasty for failed metal-on-metal (MoM) total hip replacements (THR) due to adverse reaction to metal debris (ARMD). We reviewed 106 consecutive revision arthroplasties. Case notes and radiological investigations were reviewed to assess the complications. Oxford Hip Score (OHS) and Euroqol (EQ-5D-3L) scores were used to assess the functional outcome and improvement of quality of life. At a mean follow-up of 20 months (12-48 months), the mean OHS was 28.7. Pain improved in 61% patients. A majority of patients were in level 2 for all the EQ-5D-3L dimensions. The overall complication rate was 16%. Survivorship free from further revision for any cause was 94.3% at 48 months. There was no correlation between pre-revision blood metal ions and the final outcome. Revision surgery for failed MoM hip replacement due to ARMD is associated with a relatively higher rate of complications and risk of chronic pain. There is poor correlation between serum metal ions and development of ARMD and outcome following revision surgery.

  9. In Pursuit of Theoretical Ground in Behavior Change Support Systems: Analysis of Peer-to-Peer Communication in a Health-Related Online Community.

    Science.gov (United States)

    Myneni, Sahiti; Cobb, Nathan; Cohen, Trevor

    2016-02-02

    Research studies involving health-related online communities have focused on examining network structure to understand mechanisms underlying behavior change. Content analysis of the messages exchanged in these communities has been limited to the "social support" perspective. However, existing behavior change theories suggest that message content plays a prominent role reflecting several sociocognitive factors that affect an individual's efforts to make a lifestyle change. An understanding of these factors is imperative to identify and harness the mechanisms of behavior change in the Health 2.0 era. The objective of this work is two-fold: (1) to harness digital communication data to capture essential meaning of communication and factors affecting a desired behavior change, and (2) to understand the applicability of existing behavior change theories to characterize peer-to-peer communication in online platforms. In this paper, we describe grounded theory-based qualitative analysis of digital communication in QuitNet, an online community promoting smoking cessation. A database of 16,492 de-identified public messages from 1456 users from March 1-April 30, 2007, was used in our study. We analyzed 795 messages using grounded theory techniques to ensure thematic saturation. This analysis enabled identification of key concepts contained in the messages exchanged by QuitNet members, allowing us to understand the sociobehavioral intricacies underlying an individual's efforts to cease smoking in a group setting. We further ascertained the relevance of the identified themes to theoretical constructs in existing behavior change theories (eg, Health Belief Model) and theoretically linked techniques of behavior change taxonomy. We identified 43 different concepts, which were then grouped under 12 themes based on analysis of 795 messages. Examples of concepts include "sleepiness," "pledge," "patch," "spouse," and "slip." Examples of themes include "traditions," "social support

  10. In Pursuit of Theoretical Ground in Behavior Change Support Systems: Analysis of Peer-to-Peer Communication in a Health-Related Online Community

    Science.gov (United States)

    Cobb, Nathan; Cohen, Trevor

    2016-01-01

    Background Research studies involving health-related online communities have focused on examining network structure to understand mechanisms underlying behavior change. Content analysis of the messages exchanged in these communities has been limited to the “social support” perspective. However, existing behavior change theories suggest that message content plays a prominent role reflecting several sociocognitive factors that affect an individual’s efforts to make a lifestyle change. An understanding of these factors is imperative to identify and harness the mechanisms of behavior change in the Health 2.0 era. Objective The objective of this work is two-fold: (1) to harness digital communication data to capture essential meaning of communication and factors affecting a desired behavior change, and (2) to understand the applicability of existing behavior change theories to characterize peer-to-peer communication in online platforms. Methods In this paper, we describe grounded theory–based qualitative analysis of digital communication in QuitNet, an online community promoting smoking cessation. A database of 16,492 de-identified public messages from 1456 users from March 1-April 30, 2007, was used in our study. We analyzed 795 messages using grounded theory techniques to ensure thematic saturation. This analysis enabled identification of key concepts contained in the messages exchanged by QuitNet members, allowing us to understand the sociobehavioral intricacies underlying an individual’s efforts to cease smoking in a group setting. We further ascertained the relevance of the identified themes to theoretical constructs in existing behavior change theories (eg, Health Belief Model) and theoretically linked techniques of behavior change taxonomy. Results We identified 43 different concepts, which were then grouped under 12 themes based on analysis of 795 messages. Examples of concepts include “sleepiness,” “pledge,” “patch,” “spouse,” and

  11. Quantifying behavioural determinants relating to health professional reporting of medication errors: a cross-sectional survey using the Theoretical Domains Framework.

    Science.gov (United States)

    Alqubaisi, Mai; Tonna, Antonella; Strath, Alison; Stewart, Derek

    2016-11-01

    The aims of this study were to quantify the behavioural determinants of health professional reporting of medication errors in the United Arab Emirates (UAE) and to explore any differences between respondents. A cross-sectional survey of patient-facing doctors, nurses and pharmacists within three major hospitals of Abu Dhabi, the UAE. An online questionnaire was developed based on the Theoretical Domains Framework (TDF, a framework of behaviour change theories). Principal component analysis (PCA) was used to identify components and internal reliability determined. Ethical approval was obtained from a UK university and all hospital ethics committees. Two hundred and ninety-four responses were received. Questionnaire items clustered into six components of knowledge and skills, feedback and support, action and impact, motivation, effort and emotions. Respondents generally gave positive responses for knowledge and skills, feedback and support and action and impact components. Responses were more neutral for the motivation and effort components. In terms of emotions, the component with the most negative scores, there were significant differences in terms of years registered as health professional (those registered longest most positive, p = 0.002) and age (older most positive, p Theoretical Domains Framework to quantify the behavioural determinants of health professional reporting of medication errors. • Questionnaire items relating to emotions surrounding reporting generated the most negative responses with significant differences in terms of years registered as health professional (those registered longest most positive) and age (older most positive) with no differences for gender and health profession. • Interventions based on behaviour change techniques mapped to emotions should be prioritised for development.

  12. Relevance of the proximity potential to light-ion scattering

    International Nuclear Information System (INIS)

    Tabor, S.L.; Goldberg, D.A.; Hurizenga, J.R.

    1978-01-01

    Because optical-model potentials are relatively well determined by light-ion elastic scattering, we have compared such potentials with the proximity potential, which was developed for heavy-ion reactions. After the real, nuclear potentials determined by p, d, 3 He, and α scattering at 30--35 MeV/amu are transformed into the universal proximity form they are rather similar to each other and are in rough agreement with a theoretical proximity potential

  13. Theoretical Molecular Biophysics

    CERN Document Server

    Scherer, Philipp

    2010-01-01

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

  14. Ion channeling

    International Nuclear Information System (INIS)

    Erramli, H.; Blondiaux, G.

    1994-01-01

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

  15. Transport coefficients of a hot QCD medium and their relative significance in heavy-ion collisions

    Science.gov (United States)

    Mitra, Sukanya; Chandra, Vinod

    2017-11-01

    The main focus of this article is to obtain various transport coefficients for a hot QCD medium that is likely to be produced while colliding two heavy nuclei ultra-relativistically. The technical approach adopted here is the semiclassical transport theory. The away-from-equilibrium linearized transport equation has been set up by employing the Chapman-Enskog technique from the kinetic theory of a many-particle system with a collision term that includes the binary collisions of quarks/antiquarks and gluons. In order to include the effects of a strongly interacting, thermal medium, a quasi-particle description of a realistic hot QCD equation of state has been employed through the equilibrium modeling of the momentum distributions of gluons and quarks with nontrivial dispersion relations while extending the model for finite but small quark chemical potential. The effective coupling for strong interaction has been redefined following the charge renormalization under the scheme of the quasi-particle model. The consolidated effects on transport coefficients are seen to have a significant impact on their temperature dependence. Finally, the relative significances of momentum and heat transfer, as well as the charge diffusion processes in hot QCD, have been investigated by studying the ratios of the respective transport coefficients indicating different physical laws.

  16. Method of assessing a lipid-related health risk based on ion mobility analysis of lipoproteins

    Science.gov (United States)

    Benner, W. Henry; Krauss, Ronald M.; Blanche, Patricia J.

    2010-12-14

    A medical diagnostic method and instrumentation system for analyzing noncovalently bonded agglomerated biological particles is described. The method and system comprises: a method of preparation for the biological particles; an electrospray generator; an alpha particle radiation source; a differential mobility analyzer; a particle counter; and data acquisition and analysis means. The medical device is useful for the assessment of human diseases, such as cardiac disease risk and hyperlipidemia, by rapid quantitative analysis of lipoprotein fraction densities. Initially, purification procedures are described to reduce an initial blood sample to an analytical input to the instrument. The measured sizes from the analytical sample are correlated with densities, resulting in a spectrum of lipoprotein densities. The lipoprotein density distribution can then be used to characterize cardiac and other lipid-related health risks.

  17. Intersectorial health-related policies: the use of a legal and theoretical framework to propose a typology to a case study in a Brazilian municipality

    Directory of Open Access Journals (Sweden)

    Beatriz Helena Tess

    2014-11-01

    Full Text Available This article analyzes intersectorial health-related policies (IHRP based on a case study performed in 2008-2009 that mapped the social policies of the city of Piracicaba, State of Sao Paulo, Brazil. The research strategy comprised quantitative and qualitative methodologies and converging information sources. Legal and theoretical conceptual frameworks were applied to the Piracicaba study results and served as the basis for proposing a typology of IHRP. Three types of IHRP were identified: health policies where the health sector is coordinator but needs non-health sectors to succeed; policies with a sector other than health as coordinator, but which needs health sector collaboration to succeed; and thirdly, genuine intersectorial policies, not led by any one sector but by a specifically-appointed intersectorial coordinator. The authors contend that political commitment of local authorities alone may not be enough to promote efficient intersectorial social policies. Comprehension of different types of IHRP and their interface mechanisms may contribute to greater efficiency and coverage of social policies that affect health equity and its social determinants positively. In the final analysis,, this will lead to more equitable health outcomes.

  18. Finite elements-based 2D theoretical analysis of the effect of IEX membrane thickness and salt solution residence time on the ion transport within a salinity gradient power reverse electrodialysis half cell pair

    OpenAIRE

    Etienne, Brauns

    2013-01-01

    Reverse electrodialysis electrical power generation is based on the transport of salt ions through ion conductive membranes. The ion flux, equivalent to an electric current, results from a salinity gradient, induced by two salt solutions at significantly different concentrations. Such equivalent electric current in combination with the corresponding electrochemical potential difference across the membrane, equivalent to an electric potential, results in a battery equivalency. While having a c...

  19. Statistical analysis of automatically detected ion density variations recorded by DEMETER and their relation to seismic activity

    Directory of Open Access Journals (Sweden)

    Michel Parrot

    2012-04-01

    Full Text Available

    Many examples of ionospheric perturbations observed during large seismic events were recorded by the low-altitude satellite DEMETER. However, there are also ionospheric variations without seismic activity. The present study is devoted to a statistical analysis of the night-time ion density variations. Software was implemented to detect variations in the data before earthquakes world-wide. Earthquakes with magnitudes >4.8 were selected and classified according to their magnitudes, depths and locations (land, close to the coast, or below the sea. For each earthquake, an automatic search for ion density variations was conducted from 15 days before the earthquake, when the track of the satellite orbit was at less than 1,500 km from the earthquake epicenter. The result of this first step provided the variations relative to the background in the vicinity of the epicenter for each 15 days before each earthquake. In the second step, comparisons were carried out between the largest variations over the 15 days and the earthquake magnitudes. The statistical analysis is based on calculation of the median values as a function of the various seismic parameters (magnitude, depth, location. A comparison was also carried out with two other databases, where on the one hand, the locations of the epicenters were randomly modified, and on the other hand, the longitudes of the epicenters were shifted. The results show that the intensities of the ionospheric perturbations are larger prior to the earthquakes than prior to random events, and that the perturbations increase with the earthquake magnitudes.


  20. 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

  1. Radiative electron capture by channeled ions

    International Nuclear Information System (INIS)

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

    1989-01-01

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

  2. Negative Ion Density Fronts

    International Nuclear Information System (INIS)

    Igor Kaganovich

    2000-01-01

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

  3. Enhancement of the deposition of ultrafine secondary organic aerosols by the negative air ion and the effect of relative humidity.

    Science.gov (United States)

    Yu, Kuo-Pin

    2012-11-01

    Deposition is an important process for the removal of aerosol particles. Negative air ion (NAI) generators can charge the ultrafine airborne particles and enhance their deposition rate. However, many NAI generators may also emit ozone and increase the concentration of particles in the presence of biogenic volatile organic compounds owing to the secondary organic aerosol (SOA) production. To validate the effectiveness of NAI generator the authors investigated the enhancement effect of an NAI generator on the deposition of the ultrafine SOAs generated from the ozonolysis of d-limonene in a test chamber under controlled ventilation rate and relative humidity (RH). The experimental results demonstrated that compared with other effects, including the gravity, particle eddy diffusion, and the Brownian diffusion, the effect of NAIs is the most dominate one on the deposition of SOA particles onto the wall surface in the near-wall region (generator could efficiently enhance the deposition rate by an enhancement factor ranging from 8.17 +/- 0.38 to 25.3 +/- 1.1, with a low ozone production rate. This NAI generator had better performance on the deposition of the SOAs with smaller particle sizes and it performed even better under higher RH. The enhancement effect of the NAI generator was related to its high NAI production and electric field strength.

  4. Acid-sensing ion channel (ASIC) 4 predominantly localizes to an early endosome-related organelle upon heterologous expression.

    Science.gov (United States)

    Schwartz, Verena; Friedrich, Katharina; Polleichtner, Georg; Gründer, Stefan

    2015-12-15

    Acid-sensing ion channels (ASICs) are voltage-independent proton-gated amiloride sensitive sodium channels, belonging to the DEG/ENaC gene family. Six different ASICs have been identified (ASIC1a, ASIC1b, ASIC2a, ASIC2b, ASIC3, ASIC4) that are activated by a drop in extracellular pH, either as homo- or heteromers. An exception is ASIC4, which is not activated by protons as a homomer and which does not contribute to functional heteromeric ASICs. Insensitivity of ASIC4 to protons and its comparatively low sequence identity to other ASICs (45%) raises the question whether ASIC4 may have different functions than other ASICs. In this study, we therefore investigated the subcellular localization of ASIC4 in heterologous cell lines, which revealed a surprising accumulation of the channel in early endosome-related vacuoles. Moreover, we identified an unique amino-terminal motif as important for forward-trafficking from the ER/Golgi to the early endosome-related compartment. Collectively, our results show that heterologously expressed ASIC4 predominantly resides in an intracellular endosomal compartment.

  5. 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.)

  6. Impact of He and H relative depth distributions on the result of sequential He+ and H+ ion implantation and annealing in silicon

    Science.gov (United States)

    Cherkashin, N.; Daghbouj, N.; Seine, G.; Claverie, A.

    2018-04-01

    Sequential He++H+ ion implantation, being more effective than the sole implantation of H+ or He+, is used by many to transfer thin layers of silicon onto different substrates. However, due to the poor understanding of the basic mechanisms involved in such a process, the implantation parameters to be used for the efficient delamination of a superficial layer are still subject to debate. In this work, by using various experimental techniques, we have studied the influence of the He and H relative depth-distributions imposed by the ion energies onto the result of the sequential implantation and annealing of the same fluence of He and H ions. Analyzing the characteristics of the blister populations observed after annealing and deducing the composition of the gas they contain from FEM simulations, we show that the trapping efficiency of He atoms in platelets and blisters during annealing depends on the behavior of the vacancies generated by the two implants within the H-rich region before and after annealing. Maximum efficiency of the sequential ion implantation is obtained when the H-rich region is able to trap all implanted He ions, while the vacancies it generated are not available to favor the formation of V-rich complexes after implantation then He-filled nano-bubbles after annealing. A technological option is to implant He+ ions first at such an energy that the damage it generates is located on the deeper side of the H profile.

  7. Observation of the backward electrostatic ion cyclotron wave

    International Nuclear Information System (INIS)

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

    1984-12-01

    The backward branch of the electrostatic ion cyclotron wave has been observed, we believe, for the first time. The wave, which was driven by a phased antenna structure inserted in a neon plasma, exists in the parameter ranges 2T/sub i//m/sub i/ 2 Ω/sub i/. Double-tip probe interferomety data agree with the theoretical dispersion relation

  8. Silicene: Recent theoretical advances

    KAUST Repository

    Lew Yan Voon, L. C.

    2016-04-14

    Silicene is a two-dimensional allotrope of silicon with a puckered hexagonal structure closely related to the structure of graphene and that has been predicted to be stable. To date, it has been successfully grown in solution (functionalized) and on substrates. The goal of this review is to provide a summary of recent theoretical advances in the properties of both free-standing silicene as well as in interaction with molecules and substrates, and of proposed device applications.

  9. Theoretical high energy physics

    International Nuclear Information System (INIS)

    Lee, T.D.

    1990-05-01

    This report discusses progress on theoretical high energy physics at Columbia University in New York City. Some of the topics covered are: Chern-Simons gauge field theories; dynamical fermion QCD calculations; lattice gauge theory; the standard model of weak and electromagnetic interactions; Boson-fermion model of cuprate superconductors; S-channel theory of superconductivity and axial anomaly and its relation to spin in the parton model

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

    International Nuclear Information System (INIS)

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

    1996-01-01

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

  11. Dynamic ion implantation

    International Nuclear Information System (INIS)

    Oppenheim, I.F.C.

    1988-01-01

    The Dynamic Ion Implantation Technique consists of ion implantation of a film during the film-deposition process. This technique was investigated theoretically and experimentally with ions whose incident energy is of the order of a few times 100 keV. It was found to be a viable alternative low-temperature method for the preparation of thick zirconium nitride films (∼1 μm) with good mechanical properties. Theoretical modeling of the processes involved during dynamic ion implantation lead to analytical expressions for the ions' depth-profile distributions. Numerical evaluations of these equations indicated that the depth distributions of dynamically implanted ions are in general more uniform than those predicted by the model for ions implanted by more conventional techniques. Mechanical properties of stoichiometric RF sputter-deposited zirconium nitride films post implanted with krypton and rubidium ions were investigated. Scratch-adhesion critical load and Vickers microhardness of samples implanted with doses varying from 1 x 10 15 to 5 x 10 16 ions/cm 2 and energies ranging from 300 to 500 keV were studied. In general, best mechanical properties were observed for 300- keV krypton implantations

  12. Nonlinear Theoretical Tools for Fusion-related Microturbulence: Historical Evolution, and Recent Applications to Stochastic Magnetic Fields, Zonal-flow Dynamics, and Intermittency

    International Nuclear Information System (INIS)

    Krommes, J.A.

    2009-01-01

    Fusion physics poses an extremely challenging, practically complex problem that does not yield readily to simple paradigms. Nevertheless, various of the theoretical tools and conceptual advances emphasized at the KaufmanFest 2007 have motivated and/or found application to the development of fusion-related plasma turbulence theory. A brief historical commentary is given on some aspects of that specialty, with emphasis on the role (and limitations) of Hamiltonian/symplectic approaches, variational methods, oscillation-center theory, and nonlinear dynamics. It is shown how to extract a renormalized ponderomotive force from the statistical equations of plasma turbulence, and the possibility of a renormalized K-? theorem is discussed. An unusual application of quasilinear theory to the problem of plasma equilibria in the presence of stochastic magnetic fields is described. The modern problem of zonal-flow dynamics illustrates a confluence of several techniques, including (i) the application of nonlinear-dynamics methods, especially center-manifold theory, to the problem of the transition to plasma turbulence in the face of self-generated zonal flows; and (ii) the use of Hamiltonian formalism to determine the appropriate (Casimir) invariant to be used in a novel wave-kinetic analysis of systems of interacting zonal flows and drift waves. Recent progress in the theory of intermittent chaotic statistics and the generation of coherent structures from turbulence is mentioned, and an appeal is made for some new tools to cope with these interesting and difficult problems in nonlinear plasma physics. Finally, the important influence of the intellectually stimulating research environment fostered by Prof. Allan Kaufman on the author's thinking and teaching methodology is described.

  13. Nonlinear theoretical tools for fusion-related microturbulence: Historical evolution, and recent applications to stochastic magnetic fields, zonal-flow dynamics, and intermittency

    Science.gov (United States)

    Krommes, J. A.

    2009-05-01

    Fusion physics poses an extremely challenging, practically complex problem that does not yield readily to simple paradigms. Nevertheless, various of the theoretical tools and conceptual advances emphasized at the KaufmanFest 2007 have motivated and/or found application to the development of fusion-related plasma turbulence theory. A brief historical commentary is given on some aspects of that specialty, with emphasis on the role (and limitations) of Hamiltonian/symplectic approaches, variational methods, oscillation-center theory, and nonlinear dynamics. It is shown how to extract a renormalized ponderomotive force from the statistical equations of plasma turbulence, and the possibility of a renormalized K-χ theorem is discussed. An unusual application of quasilinear theory to the problem of plasma equilibria in the presence of stochastic magnetic fields is described. The modern problem of zonal-flow dynamics illustrates a confluence of several techniques, including (i) the application of nonlinear-dynamics methods, especially center-manifold theory, to the problem of the transition to plasma turbulence in the face of self-generated zonal flows; and (ii) the use of Hamiltonian formalism to determine the appropriate (Casimir) invariant to be used in a novel wave-kinetic analysis of systems of interacting zonal flows and drift waves. Recent progress in the theory of intermittent chaotic statistics and the generation of coherent structures from turbulence is mentioned, and an appeal is made for some new tools to cope with these interesting and difficult problems in nonlinear plasma physics. Finally, the important influence of the intellectually stimulating research environment fostered by Prof. Allan Kaufman on the author's thinking and teaching methodology is described.

  14. Nonlinear Theoretical Tools for Fusion-related Microturbulence: Historical Evolution, and Recent Applications to Stochastic Magnetic Fields, Zonal-flow Dynamics, and Intermittency

    Energy Technology Data Exchange (ETDEWEB)

    J.A. Krommes

    2009-05-19

    Fusion physics poses an extremely challenging, practically complex problem that does not yield readily to simple paradigms. Nevertheless, various of the theoretical tools and conceptual advances emphasized at the KaufmanFest 2007 have motivated and/or found application to the development of fusion-related plasma turbulence theory. A brief historical commentary is given on some aspects of that specialty, with emphasis on the role (and limitations) of Hamiltonian/symplectic approaches, variational methods, oscillation-center theory, and nonlinear dynamics. It is shown how to extract a renormalized ponderomotive force from the statistical equations of plasma turbulence, and the possibility of a renormalized K-χ theorem is discussed. An unusual application of quasilinear theory to the problem of plasma equilibria in the presence of stochastic magnetic fields is described. The modern problem of zonal-flow dynamics illustrates a confluence of several techniques, including (i) the application of nonlinear-dynamics methods, especially center-manifold theory, to the problem of the transition to plasma turbulence in the face of self-generated zonal flows; and (ii) the use of Hamiltonian formalism to determine the appropriate (Casimir) invariant to be used in a novel wave-kinetic analysis of systems of interacting zonal flows and drift waves. Recent progress in the theory of intermittent chaotic statistics and the generation of coherent structures from turbulence is mentioned, and an appeal is made for some new tools to cope with these interesting and difficult problems in nonlinear plasma physics. Finally, the important influence of the intellectually stimulating research environment fostered by Prof. Allan Kaufman on the author's thinking and teaching methodology is described.

  15. Effects of soil salinity on the content, composition, and ion binding capacity of glomalin-related soil protein (GRSP).

    Science.gov (United States)

    Zhang, Zhonghua; Wang, Qiong; Wang, Hua; Nie, Siming; Liang, Zhengwei

    2017-03-01

    Soil aggregation, an ecosystem function correlated with the concentration of glomalin-related soil protein (GRSP), is highly disturbed in saline soil. However, few studies have focused on differences in amount, composition, and ion binding capacity of GRSP in typical sodic-saline soils. In this study, a field study was performed in Songnen Plain. Combined indicators of soil salinity (Q value) were significant negatively correlated with GRSP concentration by Principal Component Analysis. Multiple linear regression models showed that soil salinity might account for 46%, 25% and 44% variation in total GRSP (T-GRSP), easily-extractable GRSP (EE-GRSP) and difficultly-extractable GRSP (DE-GRSP), respectively. Soil bulk density had most important impact on GRSP concentration, followed by the pH, soil EC had the weak influence. Comparative analysis was carried out between low-salinity and high-salinity soil. Purified T-GRSP of high-saline soil contained higher N content (13.13%), lower C content (43.41%) and lower functional groups relative content (e.g. CO and SiOSi). Purified T-GRSP of high-salinity soil had a greater binding capacity with calcium and phosphorus, the binding capacity could compensate the GRSP loss about 29.8% and 14.1%, respectively. Our findings suggested that sodic salinization of the soil led to a decrease in GRSP concentration and a change in the component percentages. This change in composition might be related to adaptation of fungi-plant systems to varied environments. The calcium and phosphorus binding capacity had a positive dependent of soil salinization, which was possible to develop ecological management or recovery technology in the future. Copyright © 2017 Elsevier B.V. All rights reserved.

  16. Ion bombardment modification of surfaces

    International Nuclear Information System (INIS)

    Auciello, O.

    1984-01-01

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

  17. Seasonal variation in productivity, water relations and ion contents of Atriplex halimus spp. schweinfurthii grown in Chott Zehrez wetland, Algeria

    Directory of Open Access Journals (Sweden)

    Bouzid Nedjimi

    2012-01-01

    Full Text Available A population of Atriplex halimus spp. schweinfurthii, a perennial halophyte of Algerian saline steppes, was studied for one year under field conditions in chott Zehrez wetland of Djelfa, Algeria. During the one year, the population was exposed to great variations in soil salinity, pH varied from 7.0 to 8.2, soil conductivity was highest (4.47 dSm−1 in summer and lowest (1.99 dSm−1 in autumn. Soil moisture was relatively low and varied from 7.66% in summer to 21.45% in winter. Plants in the winter and spring seasons showed better growth than the other two seasons. The contents of Na+ and K+ in plant were highest during the summer, however Ca2+ ion content in A. halimus tissues remained constant throughout most of the seasons. The high N was recorded in winter and spring seasons. The succulence remained unaffected during winter, spring and summer seasons and then declined during autumn. This indicates that plants minimize their water uptake during stress to achieve osmotic adjustment, which helps them to survive in chott ecosystem.

  18. Revealing the relation between the structure, Li-ion conductivity and solid state battery performance for the argyrodite Li6PS5Br solid electrolyte

    NARCIS (Netherlands)

    Yu, C.; Ganapathy, S.; van Eck, Ernst R H; van Eijck, L.; Basak, S.; Liu, Yanyan; Zhang, Long; Zandbergen, H.W.; Wagemaker, M.

    2017-01-01

    Based on its high Li-ion conductivity, argyrodite Li6PS5Br is a promising solid electrolyte for all-solid-state batteries. However, more understanding is required on the relation between the solid electrolyte conductivity and the solid-state battery performance with the argyrodite structure,

  19. Radiative double electron capture (RDEC) in ion-atom collisions

    Science.gov (United States)

    Simon, A.; Tanis, J. A.; Elkafrawy, T.; Warczak, A.

    2012-11-01

    Radiative double electron capture (RDEC) observed in collisions of bare ions with atoms is a charge exchange process, during which two target electrons are captured into a bound state of the projectile and a single photon is emitted. This process could be related to the time inverse of double photoionization. For the past twenty years it has been studied, both experimentally and theoretically. However, significant discrepancies between theoretical predictions of the RDEC cross section and experimental results were noted. Here, an overview of the investigation of the RDEC process is given and various theoretical predictions are compared with experimental results.

  20. The induction of genomic instability in related human lymphoblasts following exposure to Cs gamma radiation vs accelerated 56Fe Ions

    International Nuclear Information System (INIS)

    Evans, H.H.; Horng, M.-F.; Ricanati, M.; Diaz-Insua, M.

    2003-01-01

    Full text: The induction of genomic instability by exposure to Cs-137 gamma radiation and Fe-56 accelerated ions was investigated by measuring the frequency and characteristics of TK6 and WTK1 unstable clones isolated 36 generations after exposure. While the two cell lines are related, TK6 is more sensitive to radiation, has normal p53 expression, and is repair deficient. Clones surviving the radiation and respective controls were analyzed for 17 characteristics including chromosomal aberrations, growth defects, alterations in response to a second radiation and mutant frequencies at two different loci. Putative unstable clones were defined as those exhibiting a significant alteration in one or more characteristics as compared to the respective control medians. Over half of the unstable WTK1 clones and over 90% of the TK6 unstable clones surviving exposure to either radiation exhibited chromosomal instability, the major aberrations consisting of chromatid breaks and dicentric chromosomes formed by end-to-end fusions. Alterations in the other measured characteristics occurred much less often than cytogenetic alterations in the TK6 unstable clones. The phenotype of the WTK1 unstable clones was more diverse and complex than in the case of TK6 unstable clones. The phenotype of the TK6 unstable clones differed in the survivors of Cs-137 vs. Fe-56. In the clones surviving Cs-137, the aberrations consisted mainly of dicentric chromosomes, while clones surviving exposure to Fe-56 exhibited both breaks and dicentrics. The uniform prevalence of chromosomal aberrations in the unstable TK6 clones vs. the relatively diverse phenotype of the unstable WTK1 clones suggests that the deficiency in DNA double-strand break repair in TK6 cells may be accompanied by a deficiency in telomere maintenance that leads to telomere fusion, dicentric chromosomes, anaphase bridges, breakage and the occurrence of chromosomal instability in the majority of clones isolated following exposure

  1. Fully Kinetic Ion Models for Magnetized Plasma Simulations

    Science.gov (United States)

    Sturdevant, Benjamin J.

    This thesis focuses on the development of simulation models, based on fully resolving the gyro-motion of ions with the Lorentz force equations of motion, for studying low-frequency phenomena in well-magnetized plasma systems. Such models, known as fully kinetic ion models, offer formal simplicity over higher order gyrokinetic ion models and may provide an important validation tool or replacement for gyrokinetic ion models in applications where the gyrokinetic ordering assumptions are in question. Methods for dealing with the added difficulty of resolving the short time scales associated with the ion gyro-motion in fully kinetic ion models are explored with the use of graphics processing units (GPUs) and advanced time integration algorithms, including sub-cycling, orbit averaging and variational integrators. Theoretical work is performed to analyze the effects of the ion Bernstein modes, which are known to cause difficulties in simulations based on fully kinetic ion models. In addition, the first simulation results for the ion temperature gradient driven instability in toroidal geometry using a fully kinetic ion model are presented. Finally, during the course of this work, a method for analyzing the effects of a finite time step size and spatial grid in the delta-f approach to the particle-in-cell method was developed for the first time. This method was applied to an implicit time integration scheme and has revealed some unusual numerical properties related to the delta-f method.

  2. Production of amorphous metal layers using ion implantation and investigation of the related modification of some surface properties

    International Nuclear Information System (INIS)

    Hoang Dac Luc; Vu Hoang Lam.

    1993-01-01

    Amorphous layers were produced by implanting B + ions into Al at 50 keV. The modification of the electrochemical corrosion resistance and the mechanical strength of implanted specimen was investigated. (author). 2 refs, 1 tab, 2 figs

  3. Release of titanium ions from an implant surface and their effect on cytokine production related to alveolar bone resorption

    International Nuclear Information System (INIS)

    Wachi, Takanori; Shuto, Takahiro; Shinohara, Yoshinori; Matono, Yoshinari; Makihira, Seicho

    2015-01-01

    Although interest in peri-implant mucositis and peri-implantitis has recently been increasing, the mechanisms driving these diseases remain unknown. Here, the effects of titanium ions on the inflammation and bone resorption around an implant were investigated. First, the accumulated amount of Ti ions released into gingival and bone tissues from an implant exposed to sodium fluoride solution was measured using inductively coupled plasma mass spectrometry. Next, the cellular responses in gingival and bone tissues to Ti ions and/or Porphyromonas gingivalis-lipopolysaccharide (P. gingivalis-LPS) were assessed using a rat model. More Ti ions were detected in the gingival tissues around an implant after treatment with sodium fluoride (pH 4.2) than in its absence, which suggests that the fluoride corroded the implant surface under salivary buffering capacity. The injection of Ti ions (9 ppm) significantly increased the mRNA expression and protein accumulation of chemokine (C–C motif) ligand 2, as well as the ratio of receptor activator of nuclear factor-κB ligand to osteoprotegerin, in rat gingival tissues exposed to P. gingivalis-LPS in a synergistic manner. In addition, the enhanced localization of toll-like receptor 4, which is an LPS receptor, was observed in gingival epithelium loaded with Ti ions (9 ppm). These data suggest that Ti ions may be partly responsible for the infiltration of monocytes and osteoclast differentiation by increasing the sensitivity of gingival epithelial cells to microorganisms in the oral cavity. Therefore, Ti ions may be involved in the deteriorating effects of peri-implant mucositis, which can develop into peri-implantitis accompanied by alveolar bone resorption

  4. Luminescence Characteristics of Ni2+ Ion-Doped Glasses and Glass-Ceramics in Relation to Its Coordination Number

    Science.gov (United States)

    Khonthon, Sasithorn; Morimoto, Shigeki; Ohishi, Yasutake

    Ni2+ ions occupy the tetrahedral (4), trigonal bipyramid (5) and octahedral (6) sites in glasses and glass-ceramics. The color changes depending on coordination number, typically pink for tetrahedral site, brown for trigonal bipyramid and tetrahedral sites and green to blue for octahedral site, respectively. The broad near infrared (NIR) emission peaking at around 1220 nm was observed for octahedral Ni2+ ions. This emission is due to 3T2(F)→3A2(F) transition.

  5. This study has for objective to study the theoretical relation of the hydraulic jump by sill, evolving in an U-shaped channel, with a rough bed. Functional relations, in non-dimensional form, relating the jump characteristics, seeming the effect of the be

    Directory of Open Access Journals (Sweden)

    A. Ghomri

    2015-08-01

    Full Text Available This study has for objective to study the theoretical relation of the hydraulic jump by sill, evolving in an U-shaped channel, with a rough bed. Functional relations, in non-dimensional form, relating the jump characteristics, seeming the effect of the bed's roughness, are obtained. A comparative study with the hydraulic jump in U-shaped channel, with smooth bed is proposed.

  6. Simple Ion Transfer at Liquid|Liquid Interfaces

    Directory of Open Access Journals (Sweden)

    L. J. Sanchez Vallejo

    2012-01-01

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

  7. Department of Theoretical Physics - Overview

    International Nuclear Information System (INIS)

    Kwiecinski, J.

    2001-01-01

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

  8. Department of Theoretical Physics - Overview

    International Nuclear Information System (INIS)

    Kwiecinski, J.

    2002-01-01

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

  9. Department of Theoretical Physics - Overview

    International Nuclear Information System (INIS)

    Kwiecinski, J.

    2000-01-01

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

  10. Theoretical Kinetics Analysis for Ḣ Atom Addition to 1,3-Butadiene and Related Reactions on the Ċ4H7 Potential Energy Surface.

    Science.gov (United States)

    Li, Yang; Klippenstein, Stephen J; Zhou, Chong-Wen; Curran, Henry J

    2017-10-12

    The oxidation chemistry of the simplest conjugated hydrocarbon, 1,3-butadiene, can provide a first step in understanding the role of polyunsaturated hydrocarbons in combustion and, in particular, an understanding of their contribution toward soot formation. On the basis of our previous work on propene and the butene isomers (1-, 2-, and isobutene), it was found that the reaction kinetics of Ḣ-atom addition to the C═C double bond plays a significant role in fuel consumption kinetics and influences the predictions of high-temperature ignition delay times, product species concentrations, and flame speed measurements. In this study, the rate constants and thermodynamic properties for Ḣ-atom addition to 1,3-butadiene and related reactions on the Ċ 4 H 7 potential energy surface have been calculated using two different series of quantum chemical methods and two different kinetic codes. Excellent agreement is obtained between the two different kinetics codes. The calculated results including zero-point energies, single-point energies, rate constants, barrier heights, and thermochemistry are systematically compared among the two quantum chemical methods. 1-Methylallyl (Ċ 4 H 7 1-3) and 3-buten-1-yl (Ċ 4 H 7 1-4) radicals and C 2 H 4 + Ċ 2 H 3 are found to be the most important channels and reactivity-promoting products, respectively. We calculated that terminal addition is dominant (>80%) compared to internal Ḣ-atom addition at all temperatures in the range 298-2000 K. However, this dominance decreases with increasing temperature. The calculated rate constants for the bimolecular reaction C 4 H 6 + Ḣ → products and C 2 H 4 + Ċ 2 H 3 → products are in excellent agreement with both experimental and theoretical results from the literature. For selected C 4 species, the calculated thermochemical values are also in good agreement with literature data. In addition, the rate constants for H atom abstraction by Ḣ atoms have also been calculated, and it is

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

    International Nuclear Information System (INIS)

    Lehner, T.

    1982-02-01

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

  12. Institute for Theoretical Physics

    Energy Technology Data Exchange (ETDEWEB)

    Giddings, S.B.; Ooguri, H.; Peet, A.W.; Schwarz, J.H.

    1998-06-01

    String theory is the only serious candidate for a unified description of all known fundamental particles and interactions, including gravity, in a single theoretical framework. Over the past two years, activity in this subject has grown rapidly, thanks to dramatic advances in understanding the dynamics of supersymmetric field theories and string theories. The cornerstone of these new developments is the discovery of duality which relates apparently different string theories and transforms difficult strongly coupled problems of one theory into weakly coupled problems of another theory.

  13. Liquid chromatography, in combination with a quadrupole time-of-flight instrument, with sequential window acquisition of all theoretical fragment-ion spectra acquisition: validated quantification of 39 antidepressants in whole blood as part of a simultaneous screening and quantification procedure.

    Science.gov (United States)

    Roemmelt, Andreas T; Steuer, Andrea E; Kraemer, Thomas

    2015-09-15

    Sequential window acquisition of all theoretical fragment ion spectra (SWATH) is a data independent acquisition (DIA) method for very fast scanning quadrupole time-of-flight (QTOF) instruments. SWATH repeatedly cycles through 28 consecutive 20 Da precursor isolation windows detecting all precursor ions and fragments MS ALL like and yet fast enough to generate more than 10 data points over the chromatographic peak. It was already shown in previous publications that SWATH, despite its wide Q1 windows, allows the identification of different substances and that SWATH has a higher identification rate than data dependent acquisition approaches. The aim of this study was a proof of concept study whether these same data sets can also enable validated quantification according to international guidelines, exemplified for 39 antidepressants. The validation included recovery, matrix effects, process efficiency, ion suppression, and enhancement of coeluting ions, selectivity, accuracy, precision, and stability. The method using SWATH acquisition proved to be selective, sensitive, accurate, and precise enough for 33 out of the 39 antidepressants. The applicability of SWATH for screening and validated quantification in the same run was successfully tested with authentic whole blood samples containing different antidepressants and other drugs thus proving the QUAL/QUAN abilities of SWATH. In an additional systematic investigation, it could be shown that calibration curves injected a few days after or before the actual sample can be used for quantification with acceptable accuracy.

  14. Consideration of beam plasma ion-source

    International Nuclear Information System (INIS)

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

    1976-01-01

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

  15. Quantitative ion implantation

    International Nuclear Information System (INIS)

    Gries, W.H.

    1976-06-01

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

  16. Theoretical and experimental study of ions focusing systems in order to improve the ions beam brightness by suppressing aberration causes; Etude theorique et experimentale de la focalisation des ions afin d'ameliorer la brillance du faisceau ionique par la suppression des causes d'aberration

    Energy Technology Data Exchange (ETDEWEB)

    Faure, J

    1966-07-01

    It is shown that a beam brightness can be improved by an order of magnitude when the sources of aberrations are suppressed in the anode region source, as well as in the extraction region and in the electrostatic focusing system. A calculation was first set up to determine a simple focusing system. The aberration ratio due to this focusing system is smaller than 10 to 15 per cent. The experimental study was developed by using an ion source and its extraction system capable of producing an aberration free beam at an energy of 20 keV and an accelerating unit up to 190 keV that confirms that the qualities of a 35 mA beam produced by the said ion source are not spoiled when the beam goes through the focusing and accelerating system that was designed to be aberration free. (author) [French] Dans ce travail, on s'attache a demontrer que la brillance d'un faisceau peut etre amelioree d'un ordre de grandeur lorsque l'on supprime les causes d'aberration aussi bien a la sortie de la source, dans la zone d'extraction, que dans le systeme de focalisation electrostatique. Un calcul est, tout d'abord, mis au point pour determiner un systeme de focalisation simple. Cette focalisation n'entraine pas un taux d'aberrations superieur a 10 ou 15 pour cent. Puis l'etude experimentale conduit: a) a la realisation d'une source et de son systeme d'extraction fournissant un faisceau sans aberration a une energie de 20 keV. b) et a l'elaboration d'un petit accelerateur a 190 keV qui verifie que les proprietes d'un faisceau de 35 mA issu de la source ne sont pas affectees par la traversee des systemes focalisateur et accelerateur lorsque ceux-ci n'apportent pas d'aberration. (auteur)

  17. Evaluation of multiple reaction monitoring cubed for the analysis of tachykinin related peptides in rat spinal cord using a hybrid triple quadrupole-linear ion trap mass spectrometer.

    Science.gov (United States)

    Pailleux, Floriane; Beaudry, Francis

    2014-02-01

    Targeted peptide methods generally use HPLC-MS/MRM approaches. Although dependent on the instrumental resolution, interferences may occur while performing analysis of complex biological matrices. HPLC-MS/MRM(3) is a technique, which provides a significantly better selectivity, compared with HPLC-MS/MRM assay. HPLC-MS/MRM(3) allows the detection and quantitation by enriching standard MRM with secondary product ions that are generated within the linear ion trap. Substance P (SP) and neurokinin A (NKA) are tachykinin peptides playing a central role in pain transmission. The objective of this study was to verify whether HPLC-MS/MRM(3) could provide significant advantages over a more traditional HPLC-MS/MRM assay for the quantification of SP and NKA in rat spinal cord. The results suggest that reconstructed MRM(3) chromatograms display significant improvements with the nearly complete elimination of interfering peaks but the sensitivity (i.e. signal-to-noise ratio) was severely reduced. The precision (%CV) observed was between 3.5% and 24.1% using HPLC-MS/MRM and in the range of 4.3-13.1% with HPLC-MS/MRM(3), for SP and NKA. The observed accuracy was within 10% of the theoretical concentrations tested. HPLC-MS/MRM(3) may improve the assay sensitivity to detect difference between samples by reducing significantly the potential of interferences and therefore reduce instrumental errors. Copyright © 2014 Elsevier B.V. All rights reserved.

  18. Theoretical Study of a Spherical Plasma Focus

    Science.gov (United States)

    Ay, Yasar

    , electrodynamics, thermodynamics, and radiations emitted from the plasma focus, the discharge current wave form has been used to validate the model. A good agreement has been achieved between theoretical calculation and the experimental measurement of a similar spherical plasma focus device. The snowplow model with the help of the shock wave equations coupled to the circuit equations is used to predict the plasma and shock wave parameters by using the momentum and magnetic force equations. While these equations are used in the phases of the rundown phase I and II, the reflected shock phase with the necessary modification of the magnetic field calculation, and the constant reflected shock front velocity; the radiative phase additionally includes the effect of the radiations emitted from the plasma column (Bremsstrahlung, line and radiative recombination), and the joule heating with the plasma resistance. Neutron yield and the ion properties are calculated in the radiative phase. The parameters for the spherical plasma focus are 8.0 and 14.5 cm inner and outer electrode radii, respectively, 432 muF capacitor bank, 25 kV charging voltage, and 14.5 Torr DT gas pressure. A high discharge current of about 1.5 MA, a high neutron yield of 1.13 x 1013 neutrons, and a high plasma column-ion density of 1.61 x 1024 m --3 are achieved with the given parameters. The developed model is also used to investigate the effect of the gas pressure, discharge voltage, and the molecular mass of the gas on the maximum plasma temperature and pinch start time. It is found that the maximum plasma temperature can be obtained with a relatively shorter pinch start time using a relatively heavier gas with lower gas pressure and higher discharge voltage.

  19. Physics and radiobiology of heavy charged particles in relation to the use of ion beams for therapy

    International Nuclear Information System (INIS)

    Kraft, G.; Haberer, T.; Schardt, D.; Scholz, M.

    1993-07-01

    Heavy charged particles are the most advanced tool of an external subcutane radiotherapy of deep seated tumors. Small angular- and lateral-scattering and the increase of the energy deposition with penetration depth are the physical basis for a more efficient tumor targeting. High biological efficiency in the tumor is the prerequisite for a successful treatment of tumors radioresistant against sparsely ionizing radiation. The possibility to perform target conform irradiation and to control the achieved/actual distribution using PET techniques guarantees that biological highly efficient stepping particles can be restricted to the tumor volume only. Although the physical and radiobiological properties of ion beams are very favourable for therapy, the necessity to produce these particles in an accelerator restricts a general application of heavy ions up to now. Presently the heavy ion accelerator SIS at GSI is the only source of heavy ion beams, sufficient in energy and intensity for therapy. A therapy unit is in preparation at GSI, the status of this project is given at the end of the paper. (orig.)

  20. Relation between the ion flux, gas phase composition, and wall conditions in chlorine plasma etching of silicon

    International Nuclear Information System (INIS)

    Ullal, Saurabh J.; Kim, Tae Won; Vahedi, Vahid; Aydil, Eray S.

    2003-01-01

    Transients in plasma composition and positive ion flux due to changing chamber wall conditions during Cl 2 plasma etching of Si were studied using multiple plasma and surface diagnostics. In presence of Si and O containing species in the gas phase a glassy silicon oxychloride film coats the chamber walls over a time scale determined by the concentrations of the Si and O containing deposition precursors. This time scale can be a few minutes as in the case of Si etching with Cl 2 plasma, where the concentration of silicon chloride etching products can be high, or hours as in the case of a Cl 2 plasma maintained in absence of Si wafer, where the Si and O can only come from very slow etching of a quartz window. In either case, SiCl x (1≤x≤4) and Cl concentrations in the gas phase and the total ion flux impinging on the wafer surface increase as the chamber walls are coated with this glassy film. The increase in SiCl x and Cl concentrations are primarily due to lower loss probability of these species by recombination on the chamber walls. The ion flux increases primarily due to higher SiCl x concentration in the discharge. During etching of Si, increases in Cl concentration and ion flux through the mechanism described above increases the etching and SiCl x production rates. This strong coupling among the discharge properties, the wall conditions, and etching rate lead to transients in plasma operation

  1. Negative ion formation and neutralization processes, (1)

    International Nuclear Information System (INIS)

    Sugiura, Toshio

    1982-01-01

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

  2. Test of special relativity theory by means of laser spectroscopy on relativistic 7Li+ ions in the ESR

    International Nuclear Information System (INIS)

    Botermann, Benjamin

    2012-01-01

    The invariance under Lorentz transformation of the laws of physics is a fundamental postulate of modern physics and all theories of the fundamental interactions have been stated in a covariant form. Although the theory of Special Relativity (SR) has been tested and confirmed with high accuracy in a large number of experiments, improved tests are of fundamental interest due to the far-reaching relevance of this postulate. Additionally modern attempts of a unified description of the four fundamental interactions point to possible violations of Lorentz invariance. In this context experiments of the Ives-Stilwell type for a test of time dilation play an important role. High resolution laser spectroscopy is applied on relativistic particle beams to investigate the validity of the relativistic Doppler formula - and therefore of the time dilation factor γ. In the course of this thesis an Ives-Stilwell experiment was performed with 7 Li + ions at a velocity of 34 % of the speed of light, which were stored at the experimental storage ring (ESR) of the GSI Helmholtzzentrum fuer Schwerionenforschung. The techniques of Λ- as well as saturation spectroscopy were employed on the 1s2s 3 S 1 →1s2p 3 P 2 transition. By a computer based analysis of the fluorescence detection system and utilization of appropriate edge filters the signal to noise ratio was decisively improved and the application of an additional pump laser allowed for the observation of a saturation signal for the first time. The frequency stability of both laser systems was specified by means of a frequency comb to obtain the highest possible accuracy. The data from the beam times were analyzed in the frameworks of the Robertson-Mansouri-Sexl test theory (RMS) and the Standard Model Extension (SME) and the corresponding upper limits of the relevant test parameters of the assigned theories were calculated. The upper limit of the parameter α was improved by a factor of 4 compared to earlier measurements performed

  3. Quantum electrodynamical effects in heavy highly-charged ions

    International Nuclear Information System (INIS)

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

    2003-01-01

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

  4. Characterizing Ion Flows Across a Dipolarization Front

    Science.gov (United States)

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

    2017-12-01

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

  5. EQ3NR, a computer program for geochemical aqueous speciation-solubility calculations: Theoretical manual, user`s guide, and related documentation (Version 7.0); Part 3

    Energy Technology Data Exchange (ETDEWEB)

    Wolery, T.J.

    1992-09-14

    EQ3NR is an aqueous solution speciation-solubility modeling code. It is part of the EQ3/6 software package for geochemical modeling. It computes the thermodynamic state of an aqueous solution by determining the distribution of chemical species, including simple ions, ion pairs, and complexes, using standard state thermodynamic data and various equations which describe the thermodynamic activity coefficients of these species. The input to the code describes the aqueous solution in terms of analytical data, including total (analytical) concentrations of dissolved components and such other parameters as the pH, pHCl, Eh, pe, and oxygen fugacity. The input may also include a desired electrical balancing adjustment and various constraints which impose equilibrium with special pure minerals, solid solution end-member components (of specified mole fractions), and gases (of specified fugacities). The code evaluates the degree of disequilibrium in terms of the saturation index (SI = 1og Q/K) and the thermodynamic affinity (A = {minus}2.303 RT log Q/K) for various reactions, such as mineral dissolution or oxidation-reduction in the aqueous solution itself. Individual values of Eh, pe, oxygen fugacity, and Ah (redox affinity) are computed for aqueous redox couples. Equilibrium fugacities are computed for gas species. The code is highly flexible in dealing with various parameters as either model inputs or outputs. The user can specify modification or substitution of equilibrium constants at run time by using options on the input file.

  6. Relation between the swelling and the disordering in ionic crystals irradiated by fast heavy ions; Relation entre le gonflement et la creation de defauts dans les cristaux ioniques irradies par des ions lourds rapides

    Energy Technology Data Exchange (ETDEWEB)

    Boccanfuso, M

    2001-12-01

    When fast heavy ions penetrate in matter, they slow down essentially by depositing their energy on the electrons. This can lead to strong electronic excitation densities in the solid and then to structural modifications. In this work, calcium fluoride (CaF{sub 2}) was used to look further into the damage induced by irradiation with fast heavy ions in ionic crystals. Four techniques were mainly employed to characterise this damage. These techniques of analysis are wide angle X-ray diffraction, surface profilometry, Rutherford backscattering spectrometry and UV-visible optical absorption spectroscopy. The results of this work show that CaF{sub 2} answers in a multiple way to the electronic excitations. For stopping powers higher than approximately 5 keV/nm, a polygonization seems to occur. This causes a structural disorder, a swelling of 0.27 % and the formation of fractures in the material. A second damage mechanism is caused above approximately 13 keV/nm and results in a loss of the initial crystalline structure. However, optical centres appear whatever the ion stopping power, which indicates that these defects cannot be the cause of the two above mentioned damage mechanisms. According to a thermal spike model, the two thresholds can be linked to melting and sublimation energy of the material, respectively. (author)

  7. in heavy-ion collisions

    Indian Academy of Sciences (India)

    2015-05-06

    May 6, 2015 ... the 'Big Bang', and has now been (re-)created as the hottest matter ever in laboratory by heavy-ion collisions ('Little Bang') at the Relativistic Heavy Ion Collider (RHIC) as well as at the Large Hadron Collider (LHC). To experimentally measure and theoretically understand the various properties of the QGP ...

  8. On Collisionless Damping of Ion Acoustic Waves

    DEFF Research Database (Denmark)

    Jensen, Vagn Orla; Petersen, P.I.

    1973-01-01

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

  9. Theoretical study of the electron paramagnetic resonance ...

    Indian Academy of Sciences (India)

    Abstract. The electron paramagnetic resonance (EPR) parameters (the g factors, hy- perfine structure constants and the superhyperfine parameters) for the tetragonal Ir2+ centre in NaCl are theoretically investigated from the perturbation formulas of these parameters for a 5d7 ion in tetragonally elongated octahedra.

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

    International Nuclear Information System (INIS)

    Nelson, A.C.

    1980-11-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Nelson, A.C.

    1980-11-01

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

  12. Direct evaluation of radiobiological parameters from clinical data in the case of ion beam therapy: an alternative approach to the relative biological effectiveness

    International Nuclear Information System (INIS)

    Cometto, A; Russo, G; Giordanengo, S; Marchetto, F; Cirio, R; Attili, A; Bourhaleb, F; Milian, F M

    2014-01-01

    The relative biological effectiveness (RBE) concept is commonly used in treatment planning for ion beam therapy. Whether models based on in vitro/in vivo RBE data can be used to predict human response to treatments is an open issue. In this work an alternative method, based on an effective radiobiological parameterization directly derived from clinical data, is presented. The method has been applied to the analysis of prostate cancer trials with protons and carbon ions. Prostate cancer trials with proton and carbon ion beams reporting 5 year-local control (LC5) and grade 2 (G2) or higher genitourinary toxicity rates (TOX) were selected from literature to test the method. Treatment simulations were performed on a representative subset of patients to produce dose and linear energy transfer distribution, which were used as explicative physical variables for the radiobiological modelling. Two models were taken into consideration: the microdosimetric kinetic model (MKM) and a linear model (LM). The radiobiological parameters of the LM and MKM were obtained by coupling them with the tumor control probability and normal tissue complication probability models to fit the LC5 and TOX data through likelihood maximization. The model ranking was based on the Akaike information criterion. Results showed large confidence intervals due to the limited variety of available treatment schedules. RBE values, such as RBE = 1.1 for protons in the treated volume, were derived as a by-product of the method, showing a consistency with current approaches. Carbon ion RBE values were also derived, showing lower values than those assumed for the original treatment planning in the target region, whereas higher values were found in the bladder. Most importantly, this work shows the possibility to infer the radiobiological parametrization for proton and carbon ion treatment directly from clinical data. (paper)

  13. Direct evaluation of radiobiological parameters from clinical data in the case of ion beam therapy: an alternative approach to the relative biological effectiveness.

    Science.gov (United States)

    Cometto, A; Russo, G; Bourhaleb, F; Milian, F M; Giordanengo, S; Marchetto, F; Cirio, R; Attili, A

    2014-12-07

    The relative biological effectiveness (RBE) concept is commonly used in treatment planning for ion beam therapy. Whether models based on in vitro/in vivo RBE data can be used to predict human response to treatments is an open issue. In this work an alternative method, based on an effective radiobiological parameterization directly derived from clinical data, is presented. The method has been applied to the analysis of prostate cancer trials with protons and carbon ions.Prostate cancer trials with proton and carbon ion beams reporting 5 year-local control (LC5) and grade 2 (G2) or higher genitourinary toxicity rates (TOX) were selected from literature to test the method. Treatment simulations were performed on a representative subset of patients to produce dose and linear energy transfer distribution, which were used as explicative physical variables for the radiobiological modelling. Two models were taken into consideration: the microdosimetric kinetic model (MKM) and a linear model (LM). The radiobiological parameters of the LM and MKM were obtained by coupling them with the tumor control probability and normal tissue complication probability models to fit the LC5 and TOX data through likelihood maximization. The model ranking was based on the Akaike information criterion.Results showed large confidence intervals due to the limited variety of available treatment schedules. RBE values, such as RBE = 1.1 for protons in the treated volume, were derived as a by-product of the method, showing a consistency with current approaches. Carbon ion RBE values were also derived, showing lower values than those assumed for the original treatment planning in the target region, whereas higher values were found in the bladder. Most importantly, this work shows the possibility to infer the radiobiological parametrization for proton and carbon ion treatment directly from clinical data.

  14. Theoretical level energies and transition data for 4p64d4, 4p64d34f and 4p54d5 configurations of W34+ ion

    Science.gov (United States)

    Karpuškienė, R.; Bogdanovich, P.; Kisielius, R.

    2017-05-01

    The ab initio quasirelativistic approach developed specifically for the calculation of spectral parameters of highly charged ions was used to derive transition data for the tungsten ion W34+. The configuration interaction method was applied to include electron correlation effects. The relativistic effects were taken into account in the Breit-Pauli approximation. The level energies, radiative lifetimes τ, Landé g-factors are determined for the ground configuration 4p64d4 and two excited configurations 4p64d34f and 4p54d5. The radiative transition wavelengths λ and emission transition probabilities A for the electric dipole, electric quadrupole, electric octupole, magnetic dipole, and magnetic quadrupole transitions among the levels of these configurations are produced.

  15. Relation between heat of vaporization, ion transport, molar volume, and cation-anion binding energy for ionic liquids.

    Science.gov (United States)

    Borodin, Oleg

    2009-09-10

    A number of correlations between heat of vaporization (H(vap)), cation-anion binding energy (E(+/-)), molar volume (V(m)), self-diffusion coefficient (D), and ionic conductivity for 29 ionic liquids have been investigated using molecular dynamics (MD) simulations that employed accurate and validated many-body polarizable force fields. A significant correlation between D and H(vap) has been found, while the best correlation was found for -log(DV(m)) vs H(vap) + 0.28E(+/-). A combination of enthalpy of vaporization and a fraction of the cation-anion binding energy was suggested as a measure of the effective cohesive energy for ionic liquids. A deviation of some ILs from the reported master curve is explained based upon ion packing and proposed diffusion pathways. No general correlations were found between the ion diffusion coefficient and molecular volume or the diffusion coefficient and cation/anion binding energy.

  16. Theoretical Study of Si(x)Ge(y)Li(z)- (x=4-10, y=1-10, z=0-10) Clusters for Designing of Novel Nanostructured Materials to be Utilized as Anodes for Lithium-Ion Batteries

    Science.gov (United States)

    2015-03-16

    as anodes for Lithium-ion batteries Final Report Nancy Perez-Peralta and Mario Sanchez-Vazquez Abstract In order to find out if silicon ...capacity (372 mA h g -1 ) together with its rate capability and long life. Silicon has recently become very popular as a potential anode material for...However, silicon anodes have limited applications because of the large volume change upon lithium cations insertion or extraction. Silicon nanowires

  17. Theoretical investigation of the more suitable rare earth to achieve high gain in waveguide based on silica containing silicon nanograins doped with either Nd³+ or Er³+ ions.

    Science.gov (United States)

    Fafin, Alexandre; Cardin, Julien; Dufour, Christian; Gourbilleau, Fabrice

    2014-05-19

    We present a comparative study of the gain achievement in a waveguide whose active layer is constituted by a silica matrix containing silicon nanograins acting as sensitizer of either neodymium ions (Nd3+) or erbium ions (Er3+). By means of an auxiliary differential equation and finite difference time domain (ADE-FDTD) approach that we developed, we investigate the steady states regime of both rare earths ions and silicon nanograins levels populations as well as the electromagnetic field for different pumping powers ranging from 1 to 104 mW/mm2. Moreover, the achievable gain has been estimated in this pumping range. The Nd3+ doped waveguide shows a higher gross gain per unit length at 1064 nm (up to 30 dB/cm) than the one with Er3+ doped active layer at 1532 nm (up to 2 dB/cm). Taking into account the experimental background losses we demonstrate that a significant positive net gain can only be achieved with the Nd3+ doped waveguide.

  18. SOLAR-WIND ION-DRIVEN X-RAY EMISSION FROM COMETARY AND PLANETARY ATMOSPHERES: MEASUREMENTS AND THEORETICAL PREDICTIONS OF CHARGE-EXCHANGE CROSS-SECTIONS AND EMISSION SPECTRA FOR O{sup 6+} + H{sub 2}O, CO, CO{sub 2}, CH{sub 4}, N{sub 2}, NO, N{sub 2}O, AND Ar

    Energy Technology Data Exchange (ETDEWEB)

    Machacek, J. R. [Atomic and Molecular Physics Laboratory, Research School of Physics and Engineering, The Australian National University, Canberra 2601 (Australia); Mahapatra, D. P. [Department of Physics, Utkal University, Bhubaneswar 751004 (India); Schultz, D. R. [Department of Physics, Univ. of North Texas, Denton, TX 76203 (United States); Ralchenko, Yu. [Atomic Spectroscopy Group, National Institute of Standards and Technology, Gaithersburg, MD 20899-8422 (United States); Moradmand, A.; El Ghazaly, M. O. A.; Chutjian, A. [Astrophysics and Space Sciences Section, Jet Propulsion Laboratory/Caltech, Pasadena, CA 91109 (United States)

    2015-08-10

    Relevant to modeling and understanding X-ray emission from cometary and planetary atmospheres, total cross-sections for 1.17 and 2.33 keV/u O{sup 6+} colliding with H{sub 2}O, CO, CO{sub 2}, CH{sub 4}, N{sub 2}, NO, N{sub 2}O, and Ar have been measured for the processes of single, double, and triple charge exchanges. Using these measurements as benchmarks, synthetic emission spectra spanning the X-ray, UV, and visible range have been calculated based on theoretical treatment of the transfer of between one and six electrons from the target neutrals to the projectile ion, followed by radiative and non-radiative decay of the highly excited states produced in these collisions. The results help add to the base of knowledge required to simulate ion-neutral processes in astrophysical environments; refine the present understanding of these fundamental atomic processes; and guide future observations, laboratory measurements, and theoretical predictions.

  19. Theoretical high energy physics

    International Nuclear Information System (INIS)

    Lee, T.D.

    1993-01-01

    Brief reports are given on the work of several professors. The following areas are included: quantum chromodynamics calculations using numerical lattice gauge theory and a high-speed parallel computer; the ''spin wave'' description of bosonic particles moving on a lattice with same-site exclusion; a high-temperature expansion to 13th order for the O(4)-symmetric φ 4 model on a four-dimensional F 4 lattice; spin waves and lattice bosons; superconductivity of C 60 ; meson-meson interferometry in heavy-ion collisions; baryon number violation in the Standard Model in high-energy collisions; hard thermal loops in QCD; electromagnetic interactions of anyons; the relation between Bose-Einstein and BCS condensations; Euclidean wormholes with topology S 1 x S 2 x R; vacuum decay and symmetry breaking by radiative corrections; inflationary solutions to the cosmological horizon and flatness problems; and magnetically charged black holes

  20. Department of Theoretical Physics - Overview

    International Nuclear Information System (INIS)

    Kwiecinski, J.

    1999-01-01

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

  1. Comparison of human Ether-à-go-go related gene screening assays based on IonWorks Quattro and thallium flux.

    Science.gov (United States)

    Bridal, Terry R; Margulis, Michael; Wang, Xin; Donio, Michael; Sorota, Steve

    2010-12-01

    In vitro screens using cellular preparations expressing human Ether-à-go-go related gene (hERG) potassium channels have become an intrinsic tool for evaluating cardiac liability of compounds during early preclinical stage development. Although hERG channel blocking effects are most reliably evaluated using the low-throughput, manual patch clamp technique, methods and technologies that yield hERG activity data in multiwell format are required to address increased throughput requirements. In most cases, multiwell approaches to measuring hERG activity involve achieving a reasonable balance between throughput and data fidelity. Here we compared two functional multiwell hERG assays: a fluorescence-based fluorometric imaging plate reader (FLIPR(®)) screen measuring thallium (Tl(+)) influx through hERG channels and an automated patch clamp assay using an IonWorks Quattro(®). Mean Z' values for FLIPR-Tl(+) and IonWorks Quattro assays were similar, 0.57 ± 0.09 (±SD; n = 10) versus 0.63 ± 0.11 (n = 12), respectively. IC₅₀ determinations for a set of 17 reference compounds were used to evaluate potency shifts relative to conventional voltage clamp data. The reference compound set included members that are known to exert severe potency shifts in multiwell assays. Mean potency shift values for FLIPR-Tl(+) and IonWorks Quattro assays were 117- and 8-fold, respectively. On the basis of reduced potency shifts and low data variability, we conclude that the IonWorks Quattro screen was a better predictor of hERG activity in conventional whole-cell patch clamp than the Tl(+) influx assay.

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

    DEFF Research Database (Denmark)

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

    2011-01-01

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

  3. Investigations of electrostatic ion waves in a collisionless plasma

    International Nuclear Information System (INIS)

    Michelsen, P.

    1980-06-01

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

  4. Study on the hydrogen negative ion in low pressure discharges

    International Nuclear Information System (INIS)

    Bruneteau, A.M.

    1983-07-01

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

  5. Monoenergetic ion beams from ultrathin foils irradiated by ultrahigh-contrast circularly polarized laser pulses

    Directory of Open Access Journals (Sweden)

    O. Klimo

    2008-03-01

    Full Text Available Acceleration of ions from ultrathin foils irradiated by intense circularly polarized laser pulses is investigated using one- and two-dimensional particle simulations. A circularly polarized laser wave heats the electrons much less efficiently than the wave of linear polarization and the ion acceleration process takes place on the front side of the foil. The ballistic evolution of the foil becomes important after all ions contained in the foil have been accelerated. In the ongoing acceleration process, the whole foil is accelerated as a dense compact bunch of quasineutral plasma implying that the energy spectrum of ions is quasimonoenergetic. Because of the ballistic evolution, the velocity spread of an accelerated ion beam is conserved while the average velocity of ions may be further increased. This offers the possibility to control the parameters of the accelerated ion beam. The ion acceleration process is described by the momentum transfer from the laser beam to the foil and it might be fairly efficient in terms of the energy transferred to the heavy ions even if the foil contains a comparable number of light ions or some surface contaminants. Two-dimensional simulations confirm the formation of the quasimonoenergetic spectrum of ions and relatively good collimation of the ion bunch, however the spatial distribution of the laser intensity poses constraints on the maximum velocity of the ion beam. The present ion acceleration mechanism might be suitable for obtaining a dense high energy beam of quasimonoenergetic heavy ions which can be subsequently applied in nuclear physics experiments. Our simulations are complemented by a simple theoretical model which provides the insights on how to control the energy, number, and energy spread of accelerated ions.

  6. Electron-ion recombination at low energy

    International Nuclear Information System (INIS)

    Andersen, L.H.

    1993-01-01

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

  7. Depth profiles, projected ranges, and secondary ion mass spectrometry relative sensitivity factors for more than 50 elements from hydrogen to uranium implanted into metals

    International Nuclear Information System (INIS)

    Wilson, R.G.; Stevie, F.A.; Lux, G.E.; Kirschbaum, C.L.; Frank, S.; Pallix, J.

    1992-01-01

    More than 50 elements from hydrogen to uranium were implanted into beryllium, aluminum, titanium, nickel, tungsten and gold at energies up to 0.6 MeV and at fluences from 3x10 13 to 5x10 15 cm -2 to create standards appropriate for depth profiling using secondary ion mass spectrometry (SIMS). SIMS depth profiling was performed for these combinations using both oxygen and cesium primary ions and positive and negative secondary ions respectively. SIMS relative sensitivity factors (RSFs) were determined from these data to allow quantification of impurity densities and depth profiles in these metals and possibly other metals through the use of systematics. Implantation ranges were determined from the experimental profiles, and are compared with the corresponding results of TRIM89/91 and Implant Sciences Profile Code calculations. The agreement between the two calculations and between both calculations and most of the experimental results is within 15%-20%. The experimental error is about 15%. This work establishes a quantified SIMS methodology for measuring impurity densities and implantation depth profiles in metals. (orig.)

  8. Numerical simulation and experimental validation of the three-dimensional flow field and relative analyte concentration distribution in an atmospheric pressure ion source.

    Science.gov (United States)

    Poehler, Thorsten; Kunte, Robert; Hoenen, Herwart; Jeschke, Peter; Wissdorf, Walter; Brockmann, Klaus J; Benter, Thorsten

    2011-11-01

    In this study, the validation and analysis of steady state numerical simulations of the gas flows within a multi-purpose ion source (MPIS) are presented. The experimental results were obtained with particle image velocimetry (PIV) measurements in a non-scaled MPIS. Two-dimensional time-averaged velocity and turbulent kinetic energy distributions are presented for two dry gas volume flow rates. The numerical results of the validation simulations are in very good agreement with the experimental data. All significant flow features have been correctly predicted within the accuracy of the experiments. For technical reasons, the experiments were conducted at room temperature. Thus, numerical simulations of ionization conditions at two operating points of the MPIS are also presented. It is clearly shown that the dry gas volume flow rate has the most significant impact on the overall flow pattern within the APLI source; far less critical is the (larger) nebulization gas flow. In addition to the approximate solution of Reynolds-Averaged Navier-Stokes equations, a transport equation for the relative analyte concentration has been solved. The results yield information on the three-dimensional analyte distribution within the source. It becomes evident that for ion transport into the MS ion transfer capillary, electromagnetic forces are at least as important as fluid dynamic forces. However, only the fluid dynamics determines the three-dimensional distribution of analyte gas. Thus, local flow phenomena in close proximity to the spray shield are strongly impacting on the ionization efficiency.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1996-01-01

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

  10. The relative biological effectiveness for carbon and oxygen ion beams using the raster-scanning technique in hepatocellular carcinoma cell lines.

    Directory of Open Access Journals (Sweden)

    Daniel Habermehl

    Full Text Available BACKGROUND: Aim of this study was to evaluate the relative biological effectiveness (RBE of carbon (12C and oxygen ion (16O-irradiation applied in the raster-scanning technique at the Heidelberg Ion beam Therapy center (HIT based on clonogenic survival in hepatocellular carcinoma cell lines compared to photon irradiation. METHODS: Four human HCC lines Hep3B, PLC, HepG2 and HUH7 were irradiated with photons, 12C and 16O using a customized experimental setting at HIT for in-vitro trials. Cells were irradiated with increasing physical photon single doses of 0, 2, 4 and 6 Gy and heavy ion-single doses of 0, 0.125, 0.5, 1, 2, 3 Gy (12C and 16O. SOBP-penetration depth and extension was 35 mm +/-4 mm and 36 mm +/-5 mm for carbon ions and oxygen ions respectively. Mean energy level and mean linear energy transfer (LET were 130 MeV/u and 112 keV/um for 12C, and 154 MeV/u and 146 keV/um for 16O. Clonogenic survival was computated and relative biological effectiveness (RBE values were defined. RESULTS: For all cell lines and both particle modalities α- and β-values were determined. As expected, α-values were significantly higher for 12C and 16O than for photons, reflecting a steeper decline of the initial slope of the survival curves for high-LET beams. RBE-values were in the range of 2.1-3.3 and 1.9-3.1 for 12C and 16O, respectively. CONCLUSION: Both irradiation with 12C and 16O using the raster-scanning technique leads to an enhanced RBE in HCC cell lines. No relevant differences between achieved RBE-values for 12C and 16O were found. Results of this work will further influence biological-adapted treatment planning for HCC patients that will undergo particle therapy with 12C or 16O.

  11. Theoretical Analysis of the Relative Significance of Thermodynamic and Kinetic Dispersion in the dc and ac Voltammetry of Surface-Confined Molecules

    KAUST Repository

    Morris, Graham P.

    2015-05-05

    © 2015 American Chemical Society. Commonly, significant discrepancies are reported in theoretical and experimental comparisons of dc voltammograms derived from a monolayer or close to monolayer coverage of redox-active surface-confined molecules. For example, broader-than-predicted voltammetric wave shapes are attributed to the thermodynamic or kinetic dispersion derived from distributions in reversible potentials (E0) and electrode kinetics (k0), respectively. The recent availability of experimentally estimated distributions of E0 and k0 values derived from the analysis of data for small numbers of surface-confined modified azurin metalloprotein molecules now allows more realistic modeling to be undertaken, assuming the same distributions apply under conditions of high surface coverage relevant to voltammetric experiments. In this work, modeling based on conventional and stochastic kinetic theory is considered, and the computationally far more efficient conventional model is shown to be equivalent to the stochastic one when large numbers of molecules are present. Perhaps unexpectedly, when experimentally determined distributions of E0 and k0 are input into the model, thermodynamic dispersion is found to be unimportant and only kinetic dispersion contributes significantly to the broadening of dc voltammograms. Simulations of ac voltammetric experiments lead to the conclusion that the ac method, particularly when the analysis of kinetically very sensitive higher-order harmonics is undertaken, are far more sensitive to kinetic dispersion than the dc method. ac methods are therefore concluded to provide a potentially superior strategy for addressing the inverse problem of determining the k0 distribution that could give rise to the apparent anomalies in surface-confined voltammetry.

  12. A novel biological 'twin-father' temporal paradox of General Relativity in a Gödel universe - Where reproductive biology meets theoretical physics.

    Science.gov (United States)

    Ashrafian, Hutan

    2018-03-01

    Several temporal paradoxes exist in physics. These include General Relativity's grandfather and ontological paradoxes and Special Relativity's Langevin-Einstein twin-paradox. General relativity paradoxes can exist due to a Gödel universe that follows Gödel's closed timelike curves solution to Einstein's field equations. A novel biological temporal paradox of General Relativity is proposed based on reproductive biology's phenomenon of heteropaternal fecundation. Herein, dizygotic twins from two different fathers are the result of concomitant fertilization during one menstrual cycle. In this case an Oedipus-like individual exposed to a Gödel closed timelike curve would sire a child during his maternal fertilization cycle. As a consequence of heteropaternal superfecundation, he would father his own dizygotic twin and would therefore generate a new class of autofraternal superfecundation, and by doing so creating a 'twin-father' temporal paradox. Copyright © 2017 Elsevier Ltd. All rights reserved.

  13. Ion beam assisted film growth

    CERN Document Server

    Itoh, T

    2012-01-01

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

  14. Relative Biological Effectiveness of Energetic Heavy Ions for Intestinal Tumorigenesis Shows Male Preponderance and Radiation Type and Energy Dependence in APC{sup 1638N/+} Mice

    Energy Technology Data Exchange (ETDEWEB)

    Suman, Shubhankar; Kumar, Santosh; Moon, Bo-Hyun; Strawn, Steve J.; Thakor, Hemang; Fan, Ziling [Department of Biochemistry and Molecular & Cellular Biology and Lombardi Comprehensive Cancer Center, Georgetown University, Washington, District of Columbia (United States); Shay, Jerry W. [Department of Cell Biology, UT Southwestern Medical Center, Dallas, Texas (United States); Fornace, Albert J. [Department of Biochemistry and Molecular & Cellular Biology and Lombardi Comprehensive Cancer Center, Georgetown University, Washington, District of Columbia (United States); Center of Excellence in Genomic Medicine Research (CEGMR), King Abdulaziz University, Jeddah (Saudi Arabia); Datta, Kamal, E-mail: kd257@georgetown.edu [Department of Biochemistry and Molecular & Cellular Biology and Lombardi Comprehensive Cancer Center, Georgetown University, Washington, District of Columbia (United States)

    2016-05-01

    Purpose: There are uncertainties associated with the prediction of colorectal cancer (CRC) risk from highly energetic heavy ion (HZE) radiation. We undertook a comprehensive assessment of intestinal and colonic tumorigenesis induced after exposure to high linear energy transfer (high-LET) HZE radiation spanning a range of doses and LET in a CRC mouse model and compared the results with the effects of low-LET γ radiation. Methods and Materials: Male and female APC{sup 1638N/+} mice (n=20 mice per group) were whole-body exposed to sham-radiation, γ rays, {sup 12}C, {sup 28}Si, or {sup 56}Fe radiation. For the >1 Gy HZE dose, we used γ-ray equitoxic doses calculated using relative biological effectiveness (RBE) determined previously. The mice were euthanized 150 days after irradiation, and intestinal and colon tumor frequency was scored. Results: The highest number of tumors was observed after {sup 28}Si, followed by {sup 56}Fe and {sup 12}C radiation, and tumorigenesis showed a male preponderance, especially after {sup 28}Si. Analysis showed greater tumorigenesis per unit of radiation (per cGy) at lower doses, suggesting either radiation-induced elimination of target cells or tumorigenesis reaching a saturation point at higher doses. Calculation of RBE for intestinal and colon tumorigenesis showed the highest value with {sup 28}Si, and lower doses showed greater RBE relative to higher doses. Conclusions: We have demonstrated that the RBE of heavy ion radiation-induced intestinal and colon tumorigenesis is related to ion energy, LET, gender, and peak RBE is observed at an LET of 69 keV/μm. Our study has implications for understanding risk to astronauts undertaking long duration space missions.

  15. Relative Biological Effectiveness of Energetic Heavy Ions for Intestinal Tumorigenesis Shows Male Preponderance and Radiation Type and Energy Dependence in APC(1638N/+) Mice.

    Science.gov (United States)

    Suman, Shubhankar; Kumar, Santosh; Moon, Bo-Hyun; Strawn, Steve J; Thakor, Hemang; Fan, Ziling; Shay, Jerry W; Fornace, Albert J; Datta, Kamal

    2016-05-01

    There are uncertainties associated with the prediction of colorectal cancer (CRC) risk from highly energetic heavy ion (HZE) radiation. We undertook a comprehensive assessment of intestinal and colonic tumorigenesis induced after exposure to high linear energy transfer (high-LET) HZE radiation spanning a range of doses and LET in a CRC mouse model and compared the results with the effects of low-LET γ radiation. Male and female APC(1638N/+) mice (n=20 mice per group) were whole-body exposed to sham-radiation, γ rays, (12)C, (28)Si, or (56)Fe radiation. For the >1 Gy HZE dose, we used γ-ray equitoxic doses calculated using relative biological effectiveness (RBE) determined previously. The mice were euthanized 150 days after irradiation, and intestinal and colon tumor frequency was scored. The highest number of tumors was observed after (28)Si, followed by (56)Fe and (12)C radiation, and tumorigenesis showed a male preponderance, especially after (28)Si. Analysis showed greater tumorigenesis per unit of radiation (per cGy) at lower doses, suggesting either radiation-induced elimination of target cells or tumorigenesis reaching a saturation point at higher doses. Calculation of RBE for intestinal and colon tumorigenesis showed the highest value with (28)Si, and lower doses showed greater RBE relative to higher doses. We have demonstrated that the RBE of heavy ion radiation-induced intestinal and colon tumorigenesis is related to ion energy, LET, gender, and peak RBE is observed at an LET of 69 keV/μm. Our study has implications for understanding risk to astronauts undertaking long duration space missions. Copyright © 2016 Elsevier Inc. All rights reserved.

  16. Relative Biological Effectiveness of Energetic Heavy Ions for Intestinal Tumorigenesis Shows Male Preponderance and Radiation Type and Energy Dependence in APC1638N/+ Mice

    International Nuclear Information System (INIS)

    Suman, Shubhankar; Kumar, Santosh; Moon, Bo-Hyun; Strawn, Steve J.; Thakor, Hemang; Fan, Ziling; Shay, Jerry W.; Fornace, Albert J.; Datta, Kamal

    2016-01-01

    Purpose: There are uncertainties associated with the prediction of colorectal cancer (CRC) risk from highly energetic heavy ion (HZE) radiation. We undertook a comprehensive assessment of intestinal and colonic tumorigenesis induced after exposure to high linear energy transfer (high-LET) HZE radiation spanning a range of doses and LET in a CRC mouse model and compared the results with the effects of low-LET γ radiation. Methods and Materials: Male and female APC 1638N/+ mice (n=20 mice per group) were whole-body exposed to sham-radiation, γ rays, 12 C, 28 Si, or 56 Fe radiation. For the >1 Gy HZE dose, we used γ-ray equitoxic doses calculated using relative biological effectiveness (RBE) determined previously. The mice were euthanized 150 days after irradiation, and intestinal and colon tumor frequency was scored. Results: The highest number of tumors was observed after 28 Si, followed by 56 Fe and 12 C radiation, and tumorigenesis showed a male preponderance, especially after 28 Si. Analysis showed greater tumorigenesis per unit of radiation (per cGy) at lower doses, suggesting either radiation-induced elimination of target cells or tumorigenesis reaching a saturation point at higher doses. Calculation of RBE for intestinal and colon tumorigenesis showed the highest value with 28 Si, and lower doses showed greater RBE relative to higher doses. Conclusions: We have demonstrated that the RBE of heavy ion radiation-induced intestinal and colon tumorigenesis is related to ion energy, LET, gender, and peak RBE is observed at an LET of 69 keV/μm. Our study has implications for understanding risk to astronauts undertaking long duration space missions.

  17. Details for Manuscript Number SSM-D-07-01631R1 “HIV-Related Stigma: Adapting a Theoretical Framework for Use in India”

    OpenAIRE

    Steward, Wayne T.; Herek, Gregory M; Ramakrishna, Jayashree; Bharat, Shalini; Chandy, Sara; Wrubel, Judith; Ekstrand, Maria L

    2008-01-01

    Stigma complicates the treatment of HIV worldwide. We examined whether a multi-component framework, initially consisting of enacted, felt normative, and internalized forms of individual stigma experiences, could be used to understand HIV-related stigma in Southern India. In Study 1, qualitative interviews with a convenience sample of 16 people living with HIV revealed instances of all three types of stigma. Experiences of discrimination (enacted stigma) were reported relatively infrequently. ...

  18. Mediators of the Relation between Childhood Sexual Abuse and Women’s Sexual Risk Behavior: A Comparison of Two Theoretical Frameworks

    Science.gov (United States)

    Senn, Theresa E.; Carey, Michael P.; Coury-Doniger, Patricia

    2012-01-01

    Childhood sexual abuse (CSA) is associated with sexual risk behavior in adulthood, but little research has investigated processes that might mediate this relation. The purpose of this study was to investigate whether constructs suggested by the traumagenic dynamics (TD) model (a theory of the effects of CSA) or constructs suggested by the Information-Motivation-Behavioral skills (IMB) model (a theory of the antecedents of sexual risk behavior) better mediated the relation between CSA and sexual risk behavior in adulthood. Participants were 481 women attending an STI clinic (66% African American) who completed a computerized survey as well as behavioral simulations assessing condom application and sexual assertiveness skills. Forty-five percent of the sample met criteria for CSA and CSA was associated with sexual risk behavior in adulthood. In multiple mediator models, the TD constructs mediated the relation between CSA and the number of sexual partners whereas the IMB constructs mediated the relation between CSA and unprotected sex. In addition, the TD constructs better mediated the relation between CSA and the number of sexual partners; the TD and IMB constructs did not differ in their ability to mediate the relation between CSA and unprotected sex. Sexual risk reduction interventions for women who were sexually abused should target not only the constructs from health behavior models (e.g., motivation and skills to reduce sexual risk), but also constructs that are specific to sexual abuse (e.g., traumatic sexualization and guilt). PMID:22282323

  19. Cell organisation, sulphur metabolism and ion transport-related genes are differentially expressed in Paracoccidioides brasiliensis mycelium and yeast cells

    Directory of Open Access Journals (Sweden)

    Passos Geraldo AS

    2006-08-01

    Full Text Available Abstract Background Mycelium-to-yeast transition in the human host is essential for pathogenicity by the fungus Paracoccidioides brasiliensis and both cell types are therefore critical to the establishment of paracoccidioidomycosis (PCM, a systemic mycosis endemic to Latin America. The infected population is of about 10 million individuals, 2% of whom will eventually develop the disease. Previously, transcriptome analysis of mycelium and yeast cells resulted in the assembly of 6,022 sequence groups. Gene expression analysis, using both in silico EST subtraction and cDNA microarray, revealed genes that were differential to yeast or mycelium, and we discussed those involved in sugar metabolism. To advance our understanding of molecular mechanisms of dimorphic transition, we performed an extended analysis of gene expression profiles using the methods mentioned above. Results In this work, continuous data mining revealed 66 new differentially expressed sequences that were MIPS(Munich Information Center for Protein Sequences-categorised according to the cellular process in which they are presumably involved. Two well represented classes were chosen for further analysis: (i control of cell organisation – cell wall, membrane and cytoskeleton, whose representatives were hex (encoding for a hexagonal peroxisome protein, bgl (encoding for a 1,3-β-glucosidase in mycelium cells; and ags (an α-1,3-glucan synthase, cda (a chitin deacetylase and vrp (a verprolin in yeast cells; (ii ion metabolism and transport – two genes putatively implicated in ion transport were confirmed to be highly expressed in mycelium cells – isc and ktp, respectively an iron-sulphur cluster-like protein and a cation transporter; and a putative P-type cation pump (pct in yeast. Also, several enzymes from the cysteine de novo biosynthesis pathway were shown to be up regulated in the yeast form, including ATP sulphurylase, APS kinase and also PAPS reductase. Conclusion Taken

  20. Theoretical Framework. The Bartlesville System.

    Science.gov (United States)

    Roberts, Tommy L.; And Others

    The theoretical framework underlying the Total Guidance Information Support System is discussed under the following topics: (1) Review of Literature, (2) A Brief History of Guidance and Counseling, (3) Philosophies of Guidance, (4) Decision-Making in Relation to Guidance, (5) The Origins of Information Theory, (6) Various Uses of Information…

  1. Theoretical Issues in Environmental Psychology

    Science.gov (United States)

    Proshansky, Harold M.

    1974-01-01

    Author addressed a central task in the development of an interdisciplinary field of inquiry into manenvironment relations: namely, theory development. He decried the lack of comprehensive theoretical reasoning that has characterized environmental research and suggested directions for expanded conceptual work. (Editor/RK)

  2. Ion-Gel-Gated Graphene Optical Modulator with Hysteretic Behavior.

    Science.gov (United States)

    Kim, Jin Tae; Choi, Hongkyw; Choi, Yongsuk; Cho, Jeong Ho

    2018-01-17

    We propose a graphene-based optical modulator and comprehensively investigate its photonic characteristics by electrically controlling the device with an ion-gel top-gate dielectric. The density of the electrically driven charge carriers in the ion-gel gate dielectric plays a key role in tuning the optical output power of the device. The charge density at the ion-gel-graphene interface is tuned electrically, and the chemical potential of graphene is then changed to control its light absorption strength. The optical behavior of the ion-gel gate dielectric exhibits a large hysteresis which originates from the inherent nature of the ionic gel and the graphene-ion-gel interface and a slow polarization response time of ions. The photonic device is applicable to both TE- and TM-polarized light waves, covering two entire optical communication bands, the O-band (1.26-1.36 μm) and the C-band (1.52-1.565 μm). The experimental results are in good agreement with theoretically simulated predictions. The temporal behavior of the ion-gel-graphene-integrated optical modulator reveals a long-term modulation state because of the relatively low mobility of the ions in the ion-gel solution and formation of the electric double layer in the graphene-ion-gel interface. Fast dynamic recovery is observed by applying an opposite voltage gate pulse. This study paves the way to the understanding of the operational principles and future applications of ion-gel-gated graphene optical devices in photonics.

  3. Use of a hand-portable gas chromatograph-toroidal ion trap mass spectrometer for self-chemical ionization identification of degradation products related to O-ethyl S-(2-diisopropylaminoethyl) methyl phosphonothiolate (VX)

    International Nuclear Information System (INIS)

    Smith, Philip A.; Lepage, Carmela R. Jackson; Savage, Paul B.; Bowerbank, Christopher R.; Lee, Edgar D.; Lukacs, Michael J.

    2011-01-01

    The chemical warfare agent O-ethyl S-(2-diisopropylaminoethyl) methyl phosphonothiolate (VX) and many related degradation products produce poorly diagnostic electron ionization (EI) mass spectra by transmission quadrupole mass spectrometry. Thus, chemical ionization (CI) is often used for these analytes. In this work, pseudomolecular ([M+H] + ) ion formation from self-chemical ionization (self-CI) was examined for four VX degradation products containing the diisopropylamine functional group. A person-portable toroidal ion trap mass spectrometer with a gas chromatographic inlet was used with EI, and both fixed-duration and feedback-controlled ionization time. With feedback-controlled ionization, ion cooling (reaction) times and ion formation target values were varied. Evidence for protonation of analytes was observed under all conditions, except for the largest analyte, bis(diisopropylaminoethyl)disulfide which yielded [M+H] + ions only with increased fixed ionization or ion cooling times. Analysis of triethylamine-d 15 provided evidence that [M+H] + production was likely due to self-CI. Analysis of a degraded VX sample where lengthened ion storage and feedback-controlled ionization time were used resulted in detection of [M+H] + ions for VX and several relevant degradation products. Dimer ions were also observed for two phosphonate compounds detected in this sample.

  4. DNA-based Nanoconstructs for the Detection of Ions and Biomolecules with Related Raman/SERS Signature Studies

    Science.gov (United States)

    Brenneman, Kimber L.

    The utilization of DNA aptamers and semiconductor quantum dots (QDs) for the detection of ions and biomolecules was investigated. In recent years, there have been many studies based on the use of DNA and RNA aptamers, which are single stranded oligonucleotides capable of binding to biomolecules, other molecules, and ions. In many of these cases, the conformational changes of these DNA and RNA aptamers are suitable to use fluorescence resonant energy transfer (FRET) or nanometal surface energy transfer (NSET) techniques to detect such analytes. Coupled with this growth in such uses of aptamers, there has been an expanded use of semiconductor quantum dots as brighter, longer-lasting alternatives to fluorescent dyes in labeling and detection techniques of interest in biomedicine and environmental monitoring. Thrombin binding aptamer (TBA) and a zinc aptamer were used to detect mercury, lead, zinc, and cadmium. These probes were tested in a liquid assay as well as on a filter paper coupon. Biomolecules were also studied and detected using surface-enhanced Raman spectroscopy (SERS), including DNA aptamers and C-reactive protein (CRP). Raman spectroscopy is a useful tool for sensor development, label-free detection, and has the potential for remote sensing. Raman spectra provide information on the vibrational modes or phonons, between and within molecules. Therefore, unique spectral fingerprints for single molecules can be obtained. SERS is accomplished through the use of substrates with nanometer scale geometries made of metals with many free electrons, such as silver, gold, or copper. In this research silver SERS substrates were used to study the SERS signature of biomolecules that typically produce very weak Raman signals.

  5. 12th International workshop on Inelastic Ion-Surface Collisions.Final report

    International Nuclear Information System (INIS)

    Rabalais, J.W.; Nordlander, P.

    1999-01-01

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

  6. Theoretical solid state physics

    International Nuclear Information System (INIS)

    Anon.

    1977-01-01

    Research activities at ORNL in theoretical solid state physics are described. Topics covered include: surface studies; particle-solid interactions; electronic and magnetic properties; and lattice dynamics

  7. Mechanics lectures on theoretical physics

    CERN Document Server

    Sommerfeld, Arnold Johannes Wilhelm

    1952-01-01

    Mechanics: Lectures on Theoretical Physics, Volume I covers a general course on theoretical physics. The book discusses the mechanics of a particle; the mechanics of systems; the principle of virtual work; and d'alembert's principle. The text also describes oscillation problems; the kinematics, statics, and dynamics of a rigid body; the theory of relative motion; and the integral variational principles of mechanics. Lagrange's equations for generalized coordinates and the theory of Hamilton are also considered. Physicists, mathematicians, and students taking Physics courses will find the book

  8. From heavy ions to exotic atoms

    OpenAIRE

    Indelicato , Paul; Trassinelli , Martino

    2005-01-01

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

  9. Coulomb implosion mechanism of negative ion acceleration in laser plasmas

    OpenAIRE

    Nakamura, T.; Fukuda, Y.; Yogo, A.; Tampo, M.; Kando, M.; Hayashi, Y.; Kameshima, T.; Pirozhkov, A. S.; Esirkepov, T. Zh.; Pikuz, T. A.; Faenov, A. Ya.; Daido, H.; Bulanov, S. V.

    2008-01-01

    Coulomb implosion mechanism of the negatively charged ion acceleration in laser plasmas is proposed. When a cluster target is irradiated by an intense laser pulse and the Coulomb explosion of positively charged ions occurs, the negative ions are accelerated inward. The maximum energy of negative ions is several times lower than that of positive ions. The theoretical description and Particle-in-Cell simulation of the Coulomb implosion mechanism and the evidence of the negative ion acceleration...

  10. Lithium-ion batteries

    CERN Document Server

    Yoshio, Masaki; Kozawa, Akiya

    2010-01-01

    This book is a compilation of up-to-date information relative to Li-Ion technology. It provides the reader with a single source covering all important aspects of Li-Ion battery operations. It fills the gap between the old original Li-Ion technology and present state of the technology that has developed into a high state of practice. The book is designed to provide a single source for an up-to-date description of the technology associated with the Li-Ion battery industry. It will be useful to researchers interested in energy conversion for the direct conversion of chemical energy into electrica

  11. Chromosome Aberrations by Heavy Ions

    Science.gov (United States)

    Ballarini, Francesca; Ottolenghi, Andrea

    It is well known that mammalian cells exposed to ionizing radiation can show different types of chromosome aberrations (CAs) including dicentrics, translocations, rings, deletions and complex exchanges. Chromosome aberrations are a particularly relevant endpoint in radiobiology, because they play a fundamental role in the pathways leading either to cell death, or to cell conversion to malignancy. In particular, reciprocal translocations involving pairs of specific genes are strongly correlated (and probably also causally-related) with specific tumour types; a typical example is the BCR-ABL translocation for Chronic Myeloid Leukaemia. Furthermore, aberrations can be used for applications in biodosimetry and more generally as biomarkers of exposure and risk, that is the case for cancer patients monitored during Carbon-ion therapy and astronauts exposed to space radiation. Indeed hadron therapy and astronauts' exposure to space radiation represent two of the few scenarios where human beings can be exposed to heavy ions. After a brief introduction on the main general features of chromosome aberrations, in this work we will address key aspects of the current knowledge on chromosome aberration induction, both from an experimental and from a theoretical point of view. More specifically, in vitro data will be summarized and discussed, outlining important issues such as the role of interphase death/mitotic delay and that of complex-exchange scoring. Some available in vivo data on cancer patients and astronauts will be also reported, together with possible interpretation problems. Finally, two of the few available models of chromosome aberration induction by ionizing radiation (including heavy ions) will be described and compared, focusing on the different assumptions adopted by the authors and on how these models can deal with heavy ions.

  12. Theoretical Physics Division

    International Nuclear Information System (INIS)

    This report is a survey of the studies done in the Theoretical Physics Division of the Nuclear Physics Institute; the subjects studied in theoretical nuclear physics were the few-nucleon problem, nuclear structure, nuclear reactions, weak interactions, intermediate energy and high energy physics. In this last field, the subjects studied were field theory, group theory, symmetry and strong interactions [fr

  13. A perturbation of DC electric field caused by light ion adhesion to aerosols during the growth in seismic-related atmospheric radioactivity

    Directory of Open Access Journals (Sweden)

    V. M. Sorokin

    2007-01-01

    Full Text Available The influence of variations in conductivity and external electric current variations in the lower atmosphere on DC electric field over a seismic region is investigated. The external current is formed with the occurrence of convective upward transport of charged aerosols and their gravitational sedimentation in the atmosphere. This effect is related with the occurrence of ionization source due to seismic-related emanation of radon and other radioactive elements into the lower atmosphere. An increase in atmosphere radioactivity level results in the appearance of additional sources of ionization, and altitude dependence of the ion formation rate is calculated. Ionization source varies the atmospheric conductivity and the external current through appearance of ions with equilibrium number density and their adhesion to aerosols. We have calculated the perturbation of conductivity and external electric current as a function of altitude. Variation of conductivity and external current in the lower atmosphere leads to a perturbation of electric current which flows in the global atmosphere-ionosphere circuit. Finally, perturbations of DC electric field both on the Earth's surface and in the ionosphere are estimated.

  14. Quadrupole Ion Traps

    Indian Academy of Sciences (India)

    elimination of transit-time broadening making it possible to do precision spectroscopic measurements on these ions. Several important experiments with single electron or ion have been undertaken to address problems related to basic physics, such as the measurement of the electron radius, precision measurements of ...

  15. Effect of alkali metal ions on the pyrrole and pyridine π-electron systems in pyrrole-2-carboxylate and pyridine-2-carboxylate molecules: FT-IR, FT-Raman, NMR and theoretical studies

    Science.gov (United States)

    Świderski, G.; Wojtulewski, S.; Kalinowska, M.; Świsłocka, R.; Lewandowski, W.

    2011-05-01

    The FT-IR, FT-Raman and 1H and 13C NMR spectra of pyrrole-2-carboxylic acid (PCA) and lithium, sodium, potassium, rubidium and caesium pyrrole-2-carboxylates were recorded, assigned and compared in the Li → Na → K → Rb → Cs salt series. The effect of alkali metal ions on the electronic system of ligands was discussed. The obtained results were compared with previously reported ones for pyridine-2-carboxylic acid and alkali metal pyridine-2-carboxylates. Calculations for pyrrole-2-carboxylic acid and Li, Na, K pyrrole-2-carboxylates in B3LYP/6-311++G ** level and Møller-Plesset method in MP2/6-311++G ** level were made. Bond lengths, angles and dipole moments as well as aromaticity indices (HOMA, EN, GEO, I 6) for the optimized structures of pyrrole-2-carboxylic acid (PCA) and lithium, sodium, potassium pyrrole-2-carboxylates were also calculated. The degree of perturbation of the aromatic system of ligand under the influence of metals in the Li → Cs series was investigated with the use of statistical methods (linear correlation), calculated aromaticity indices and Mulliken, NBO and ChelpG population analysis method. Additionally, the Bader theory (AIM) was applied to setting the characteristic of the bond critical points what confirmed the influence of alkali metals on the pyrrole ring.

  16. Lithium ion batteries (NMC/graphite) cycling at 80 °C: Different electrolytes and related degradation mechanism

    Science.gov (United States)

    Genieser, R.; Ferrari, S.; Loveridge, M.; Beattie, S. D.; Beanland, R.; Amari, H.; West, G.; Bhagat, R.

    2018-01-01

    A comprehensive study on high temperature cycling (80 °C) of industrial manufactured Li-ion pouch cells (NMC-111/Graphite) filled with different electrolytes is introduced. Ageing processes such as capacity fade, resistance increase and gas generation are reduced by the choice of appropriate electrolyte formulations. However, even by using additive formulations designed for elevated temperatures a large resistance increase is observed after 200 cycles and more (which does not happen at 55 °C). Symmetrical EIS (Electrochemical Impedance Spectroscopy) shows that the cathodic charge transfer resistance is the main reason for this behaviour. Nonetheless most of the active Li is still available when cycling with suitable additives. No change of the cathode crystalline structure or a growth of the cathodic surface reconstruction layer is observed post cycling at 80 °C. Therefore a disintegration of NMC secondary particles is believed to be the main reason of the cell failure. A separation of single grains is leading to new decomposition and reconstruction layers between primary particles and an increased charge transfer resistance. Further approaches to improve the high temperature cycle stability of NMC based materials should therefore be aimed at the cathode particles morphology in combination with similar electrolyte formulations as used in this study.

  17. Theoretical calculations of the relative pKa values of some selected aromatic arsonic acids in water using density functional theory

    OpenAIRE

    Behzad Khalili; Mehdi Rimaz

    2016-01-01

    With the focus on calculating the equilibrium constant (Ka) of arsonic acids (RAsO(OH)2) in aqueous media, the behavior of both neutral and negatively charged species of some arsonic acids have been considered through the isodesmic reaction scheme with polarized continuum model of solvation. The relative pKa values of a number of arsonic acids were calculated using density functional theory (DFT), with methylarsonic acid (CH3AsO(OH)2) used as a reference molecule. Various basis sets such as (...

  18. Theoretical study of influence of belt tension of intermediate belt conveyor drive on value of zone of relative slip of traction and carrying belts

    Science.gov (United States)

    Goncharov, K. A.; Grishin, A. V.

    2017-10-01

    The issue of the influence of tension of the traction belt of intermediate drive of the multi-drive belt conveyor on the value of zones of relative rest and sliding of the traction and carrying belts is considered. A variety of values of proportional band of tractive effort regulation of the intermediate drive of belt conveyor while it is being controlled by the tensioning device was obtained in percentage terms. Recommendations on the control of the intermediate drive of belt conveyor by means of the tensioning device when starting and productivity changes are provided.

  19. Simulation of surface evolution during ion bombardment

    International Nuclear Information System (INIS)

    Katardjiev, I.V.

    1988-01-01

    Some theoretical aspects of surface topography evolution during ion beam erosion are discussed. In particular, the theory of characteristics is considered in some detail and its limitations pointed out. Further theoretical development based on the Huygens principle of wave propagation is discussed also with respect to numerical evaluation of surface evolution. A new numerical algorithm based on the contemporary theoretical concepts of surface and edge propagation is proposed and compared with existing numerical models and theoretical expectations

  20. Prompt loss of beam ions in KSTAR plasmas

    Directory of Open Access Journals (Sweden)

    Jun Young Kim

    2016-10-01

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

  1. Theoretical and experimental studies on wide-band-gap p-type conductive BaCuSeF and related compounds

    Science.gov (United States)

    Sakakima, Hiroshi; Nishitani, Mikihiko; Yamamoto, Koichi; Wada, Takahiro

    2015-08-01

    BaCuSeF and related compounds, MCuQF (M = Ba, Sr; Q = Se, S), are known to show p-type conduction. The formation energies of the Cu vacancy ΔH[VCu] in a MCuQF system were computed by first-principles calculation with a generalized gradient approximation (GGA) of the Perdew-Burke-Ernzerhof (PBE) functional as an electron exchange and correlation functional. The density of states (DOS) of BaCuSeF was calculated with the hybrid functional of Heyd-Scuseria-Ernzerhof (HSE) 06. ΔH[VCu] was found to be very small under both the Cu- and Q-rich conditions, which probably contributes to p-type conduction. The electronic structure of BaCuSeF was studied by X-ray photoelectron spectroscopy (XPS) with UV photoelectron yield spectroscopy (UVPYS) and photoemission yield spectroscopy (PYS). The determined depth of the top of the valence band relative to the vacuum level was about 4.9 eV. This value is desirable for applications in compound semiconductor thin-film tandem solar cells since the absorbers of polycrystalline thin-film solar cells, such as CdTe and Cu(In,Ga)Se2, are p-type semiconductors. The DOS of BaCuSeF calculated with the HSE06 functional was almost consistent with the XPS spectrum.

  2. Ionization of RNA-uracil by highly charged carbon ions

    Science.gov (United States)

    Champion, C.; Galassi, M. E.; Fojón, O.; Lekadir, H.; Hanssen, J.; Rivarola, R. D.; Weck, P. F.; Agnihotri, A. N.; Nandi, S.; Tribedi, L. C.

    2012-07-01

    We present a theoretical description of highly charged carbon ion-induced ionization of isolated RNA-uracil molecules. A comparison between recent experimental and theoretical total cross sections is provided.

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

    Directory of Open Access Journals (Sweden)

    Vadim eVolkov

    2015-10-01

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

  4. Ion beam therapy fundamentals, technology, clinical applications

    CERN Document Server

    2012-01-01

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

  5. Information Theoretic Shape Matching.

    Science.gov (United States)

    Hasanbelliu, Erion; Giraldo, Luis Sanchez; Príncipe, José C

    2014-12-01

    In this paper, we describe two related algorithms that provide both rigid and non-rigid point set registration with different computational complexity and accuracy. The first algorithm utilizes a nonlinear similarity measure known as correntropy. The measure combines second and high order moments in its decision statistic showing improvements especially in the presence of impulsive noise. The algorithm assumes that the correspondence between the point sets is known, which is determined with the surprise metric. The second algorithm mitigates the need to establish a correspondence by representing the point sets as probability density functions (PDF). The registration problem is then treated as a distribution alignment. The method utilizes the Cauchy-Schwarz divergence to measure the similarity/distance between the point sets and recover the spatial transformation function needed to register them. Both algorithms utilize information theoretic descriptors; however, correntropy works at the realizations level, whereas Cauchy-Schwarz divergence works at the PDF level. This allows correntropy to be less computationally expensive, and for correct correspondence, more accurate. The two algorithms are robust against noise and outliers and perform well under varying levels of distortion. They outperform several well-known and state-of-the-art methods for point set registration.

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

    Directory of Open Access Journals (Sweden)

    Hideki Kobayashi

    2017-01-01

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

  7. Metal Ion Imbalance-Related Oxidative Stress Is Involved in the Mechanisms of Liver Injury in a Rat Model of Chronic Aluminum Exposure.

    Science.gov (United States)

    Yang, Yang; Wang, Hong; Guo, Yuanxin; Lei, Wenjuan; Wang, Jianfeng; Hu, Xinyue; Yang, Junqing; He, Qin

    2016-09-01

    The objective of the study is to investigate the effects of chronic aluminum overload on rat liver function and its induction of pathological changes in metal ion levels and oxidative stress in hepatic tissues. Wistar rats were intragastrically administered aluminum gluconate (200 mg Al(3+)/Kg) once a day, 5 days a week, for 20 weeks. HE staining was used to visualize pathological changes in rat liver tissue. A biochemical method was adopted to detect ALT, AST, ALP, and GGT levels, as well as liver SOD activity and blood plasma MDA content. A plasma atomic emission spectrophotometer was used to detect Al, Mn, Fe, Zn, and Cu ion contents in liver tissue. Our results showed obvious vacuolar degeneration, granular degeneration, and spotty necrosis in chronic Al-overload rat hepatocytes. The levels of ALT, AST, ALP, and GGT were significantly increased. Liver SOD activity was significantly decreased, and MDA content was significantly increased. In Al-overload rat liver, Al, Mn, Fe, and Cu contents were significantly increased, and in Al-overload rat serum, Mn, Fe, Zn, and Cu contents were significantly decreased. However, the Al level in Al-overload rat serum was not significantly different from that in control rat serum. These results suggest that chronic aluminum overload causes obvious damage to rat liver and causes imbalances in Al, Mn, Fe, Zn, and Cu levels in rat liver and serum. Metal ion imbalance-related oxidative stress may be involved in the mechanism of chronic liver injury caused by aluminum overload.

  8. Ion temperature gradient driven turbulence with strong trapped ion resonance

    Energy Technology Data Exchange (ETDEWEB)

    Kosuga, Y., E-mail: kosuga@riam.kyushu-u.ac.jp [Institute for Advanced Study, Kyushu University, Fukuoka (Japan); Research Institute for Applied Mechanics, Kyushu University, Fukuoka (Japan); Itoh, S.-I. [Research Center for Plasma Turbulence, Kyushu University, Fukuoka (Japan); Research Institute for Applied Mechanics, Kyushu University, Fukuoka (Japan); Diamond, P. H. [CASS and CMTFO, University of California at San Diego, La Jolla, California 92093 (United States); WCI Center for Fusion Theory, National Fusion Research Institute, Daejeon (Korea, Republic of); Itoh, K. [National Institute for Fusion Science, Gifu (Japan); Research Center for Plasma Turbulence, Kyushu University, Fukuoka (Japan); Lesur, M. [Research Institute for Applied Mechanics, Kyushu University, Fukuoka (Japan)

    2014-10-15

    A theory to describe basic characterization of ion temperature gradient driven turbulence with strong trapped ion resonance is presented. The role of trapped ion granulations, clusters of trapped ions correlated by precession resonance, is the focus. Microscopically, the presence of trapped ion granulations leads to a sharp (logarithmic) divergence of two point phase space density correlation at small scales. Macroscopically, trapped ion granulations excite potential fluctuations that do not satisfy dispersion relation and so broaden frequency spectrum. The line width from emission due only to trapped ion granulations is calculated. The result shows that the line width depends on ion free energy and electron dissipation, which implies that non-adiabatic electrons are essential to recover non-trivial dynamics of trapped ion granulations. Relevant testable predictions are summarized.

  9. Theoretical Calculations of Atomic Data for Spectroscopy

    Science.gov (United States)

    Bautista, Manuel A.

    2000-01-01

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

  10. Theoretical nuclear structure. Progress report for 1997

    International Nuclear Information System (INIS)

    Nazarewicz, W.; Strayer, M.R.

    1997-01-01

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

  11. Theoretical predictions for alpha particle spectroscopic strengths

    International Nuclear Information System (INIS)

    Draayer, J.P.

    1975-01-01

    Multinucleon transfers induced in heavy-ion reactions of the type ( 6 Li,d) furnish a selective probe with which to study the interplay between rotational and clustering phenomena so characteristic of the structure of the light sd-shell nuclei. For these nuclei, theoretical predictions for inter-band as well as intra-band transfer strengths can be made using recently tabulated results for angular momentum dependent SU 3 inclusion R 3 relative spectroscopic strengths and angular momentum independent SU 6 inclusion SU 3 coefficients of fractional parentage. The pure SU 3 (oscillator)-SU 4 (supermultiplet) symmetry limit agrees well with results obtained using available eigenfunctions determined in large shell model calculations. In particular, the scalar nature of a transferred ''alpha''-cluster insures that the effect of spatial symmetry admixtures in the initial and final states of the target and residual nuclei are minimized. Sum rule quantities provide a measure of the probable effects of symmetry breaking. Strength variations within a band are expected; transfers to core excited states are often favored. Results extracted from exact finite range DWBA analyses of ( 6 Li,d) data on 16 , 18 O, 20 , 21 , 22 Ne, 24 , 25 Mg show some anomalies in our understanding of the structure and/or reaction mechanisms. (18 figures) (U.S.)

  12. Theoretical calculations of the relative pKa values of some selected aromatic arsonic acids in water using density functional theory

    Directory of Open Access Journals (Sweden)

    Behzad Khalili

    2016-01-01

    Full Text Available With the focus on calculating the equilibrium constant (Ka of arsonic acids (RAsO(OH2 in aqueous media, the behavior of both neutral and negatively charged species of some arsonic acids have been considered through the isodesmic reaction scheme with polarized continuum model of solvation. The relative pKa values of a number of arsonic acids were calculated using density functional theory (DFT, with methylarsonic acid (CH3AsO(OH2 used as a reference molecule. Various basis sets such as (6-31G(d, 6-31+G(d, 6-311++G(d,p and 6-311++G(2d,2p in conjunction with B3LYP computational method were examined. Finally the latter one was found to give better results. The results of applied B3LYP 6-311++G(2d,2p method for pKa values of 25 arsonic acids in aqueous media showed good agreement with corresponding experimental pKa values. In this level of theory the average error was less than 0.3 pKa units. The type of substituent affected the acid strength, with electron withdrawing substituents lowering the pKa and electron releasing groups increasing it.

  13. EQ6, a computer program for reaction path modeling of aqueous geochemical systems: Theoretical manual, user`s guide, and related documentation (Version 7.0); Part 4

    Energy Technology Data Exchange (ETDEWEB)

    Wolery, T.J.; Daveler, S.A.

    1992-10-09

    EQ6 is a FORTRAN computer program in the EQ3/6 software package (Wolery, 1979). It calculates reaction paths (chemical evolution) in reacting water-rock and water-rock-waste systems. Speciation in aqueous solution is an integral part of these calculations. EQ6 computes models of titration processes (including fluid mixing), irreversible reaction in closed systems, irreversible reaction in some simple kinds of open systems, and heating or cooling processes, as well as solve ``single-point`` thermodynamic equilibrium problems. A reaction path calculation normally involves a sequence of thermodynamic equilibrium calculations. Chemical evolution is driven by a set of irreversible reactions (i.e., reactions out of equilibrium) and/or changes in temperature and/or pressure. These irreversible reactions usually represent the dissolution or precipitation of minerals or other solids. The code computes the appearance and disappearance of phases in solubility equilibrium with the water. It finds the identities of these phases automatically. The user may specify which potential phases are allowed to form and which are not. There is an option to fix the fugacities of specified gas species, simulating contact with a large external reservoir. Rate laws for irreversible reactions may be either relative rates or actual rates. If any actual rates are used, the calculation has a time frame. Several forms for actual rate laws are programmed into the code. EQ6 is presently able to model both mineral dissolution and growth kinetics.

  14. EQ6, a computer program for reaction path modeling of aqueous geochemical systems: Theoretical manual, user's guide, and related documentation (Version 7.0)

    International Nuclear Information System (INIS)

    Wolery, T.J.; Daveler, S.A.

    1992-01-01

    EQ6 is a FORTRAN computer program in the EQ3/6 software package (Wolery, 1979). It calculates reaction paths (chemical evolution) in reacting water-rock and water-rock-waste systems. Speciation in aqueous solution is an integral part of these calculations. EQ6 computes models of titration processes (including fluid mixing), irreversible reaction in closed systems, irreversible reaction in some simple kinds of open systems, and heating or cooling processes, as well as solve ''single-point'' thermodynamic equilibrium problems. A reaction path calculation normally involves a sequence of thermodynamic equilibrium calculations. Chemical evolution is driven by a set of irreversible reactions (i.e., reactions out of equilibrium) and/or changes in temperature and/or pressure. These irreversible reactions usually represent the dissolution or precipitation of minerals or other solids. The code computes the appearance and disappearance of phases in solubility equilibrium with the water. It finds the identities of these phases automatically. The user may specify which potential phases are allowed to form and which are not. There is an option to fix the fugacities of specified gas species, simulating contact with a large external reservoir. Rate laws for irreversible reactions may be either relative rates or actual rates. If any actual rates are used, the calculation has a time frame. Several forms for actual rate laws are programmed into the code. EQ6 is presently able to model both mineral dissolution and growth kinetics

  15. Theoretical nuclear physics

    CERN Document Server

    Blatt, John M

    1979-01-01

    A classic work by two leading physicists and scientific educators endures as an uncommonly clear and cogent investigation and correlation of key aspects of theoretical nuclear physics. It is probably the most widely adopted book on the subject. The authors approach the subject as ""the theoretical concepts, methods, and considerations which have been devised in order to interpret the experimental material and to advance our ability to predict and control nuclear phenomena.""The present volume does not pretend to cover all aspects of theoretical nuclear physics. Its coverage is restricted to

  16. Studies of electron cyclotron resonance ion source plasma physics

    International Nuclear Information System (INIS)

    Tarvainen, O.

    2005-01-01

    This thesis consists of an introduction to the plasma physics of electron cyclotron resonance ion sources (ECRIS) and a review of the results obtained by the author and co-workers including discussion of related work by others. The thesis begins with a theoretical discussion dealing with plasma physics relevant for the production of highly charged ions in ECR ion source plasmas. This is followed by an overview of different techniques, such as gas mixing and double frequency heating, that can be used to improve the performance of this type of ion source. The experimental part of the work consists of studies related to ECRIS plasma physics. The effect of the gas mixing technique on the production efficiency of different ion beams was studied with both gaseous and solid materials. It was observed that gas mixing improves the confinement of the heavier element while the confinement of the lighter element is reduced. When the effect of gas mixing on MIVOC-plasmas was studied with several mixing gases it was observed that applying this technique can reduce the inevitable carbon contamination by a significant factor. In order to understand the different plasma processes taking place in ECRIS plasmas, a series of plasma potential and emittance measurements was carried out. An instrument, which can be used to measure the plasma potential in a single measurement without disturbing the plasma, was developed for this work. Studying the plasma potential of ECR ion sources is important not only because it helps to understand different plasma processes, but also because the information can be used as an input parameter for beam transport simulations and ion source extraction design. The experiments performed have revealed clear dependencies of the plasma potential on certain source parameters such as the amount of carbon contamination accumulated on the walls of the plasma chamber during a MIVOC-run. It was also observed that gas mixing affects not only the production efficiency

  17. Heavy ion inertial fusion

    International Nuclear Information System (INIS)

    Keefe, D.; Sessler, A.M.

    1980-01-01

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

  18. Monte Carlo simulation of the relative biological effectiveness and DNA damage from a 400 MeV/u carbon ion beam in water.

    Science.gov (United States)

    Ou, Haifeng; Zhang, Bin; Zhao, Shujun

    2018-06-01

    A 400 MeV/u carbon ion beam incident on a water phantom was simulated with GATE/Geant4 to calculate the energy spectra of 12 C and its fragments at various depths. Based on the energy spectra, the DNA double strand break (DSB) yields from 12 C and its fragments were calculated with Monte Carlo Damage Simulation (MCDS) code. The relative biological effectiveness (RBE) distributions for 12 C and its fragments were calculated from the DSB yields. The DNA damages from each type of the particles and their contribution to the total DNA damages at various depths were calculated from the DSB yields and dose distributions. These characteristics of 12 C and its fragments are important for understanding the corresponding RBEs and the DNA damages. The purpose of this work was to obtain the RBEs and the DNA damage distributions of carbon ions and their fragments in beams used in radiotherapy by means of simulating the macroscopic phantom and microscopic cells. The simulation method can be easily extended by changing some parameters. Copyright © 2018 Elsevier Ltd. All rights reserved.

  19. Effect of exogenous metal ions and mechanical stress on rice processed in thermal-solid enzymatic reaction system related to further alcoholic fermentation efficiency.

    Science.gov (United States)

    Xu, Enbo; Wu, Zhengzong; Jiao, Aiquan; Jin, Zhengyu

    2018-02-01

    Metal-rich thermal-solid enzymatic processing of rice combined with yeast fermentation was investigated. 8 Metal ions were exogenously supplied at 0.05, 0.5 and 5mmol/100g (MG) rice prior to static high pressure enzymatic cooking (HPEC) and dynamic enzymatic extrusion cooking (EEC). Treated rice and its fermentation efficiency (FE) were characterized by rapid viscosity analyzer (RVA), UV-Vis, FT-IR and atomic absorption spectrophotometer (AAS). The optimum pH range of enzyme in solid system (>4.9) was broader than in a liquid system (>5.5). Cations decreased enzymatic activity in HPEC probably due to metal-induced aggregation of rice matrix with reduced reacting area as well as strengthened structure of starch/polysaccharides modified by metals. While using the EEC with mechanical mixing/shearing, relative activity was activated to 110 and 120% by Mg 2+ (0.05-0.5MG) and Ca 2+ (0.05-5MG), respectively. Furthermore, the effectiveness of residual ions to promote further FE was found to follow the order: Ca 2+ >K + >Zn 2+ >Mg 2+ >Mn 2+ >Na + ≈Control>Fe 2+ >Cu 2+ , individually. Copyright © 2017 Elsevier Ltd. All rights reserved.

  20. Theoretical physics division

    International Nuclear Information System (INIS)

    Anon.

    1980-01-01

    Research activities of the theoretical physics division for 1979 are described. Short summaries are given of specific research work in the following fields: nuclear structure, nuclear reactions, intermediate energy physics, elementary particles [fr

  1. Theoretical Computer Science

    DEFF Research Database (Denmark)

    2002-01-01

    The proceedings contains 8 papers from the Conference on Theoretical Computer Science. Topics discussed include: query by committee, linear separation and random walks; hardness results for neural network approximation problems; a geometric approach to leveraging weak learners; mind change...

  2. Theoretical physics division

    International Nuclear Information System (INIS)

    Anon.

    The studies in 1977 are reviewed. In theoretical nuclear physics: nuclear structure, nuclear reactions, intermediate energy physics; in elementary particle physics: field theory, strong interactions dynamics, nucleon-nucleon interactions, new particles, current algebra, symmetries and quarks are studied [fr

  3. Ion trajectories quadrupole mass filters

    International Nuclear Information System (INIS)

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

    1994-01-01

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

  4. Pseudohalide Tectons within the Coordination Sphere of the Uranyl Ion: Experimental and Theoretical Study of C-H···O, C-H···S, and Chalcogenide Noncovalent Interactions.

    Science.gov (United States)

    Nuzzo, Stefano; Twamley, Brendan; Platts, James A; Baker, Robert J

    2018-03-15

    A series of uranyl thiocyanate and selenocyanate of the type [R 4 N] 3 [UO 2 (NCS) 5 ] (R 4 = n Bu 4 , Me 3 Bz, Et 3 Bz), [Ph 4 P][UO 2 (NCS) 3 (NO 3 )] and [R 4 N] 3 [UO 2 (NCSe) 5 ] (R 4 = Me 4 , n Pr 4 , Et 3 Bz) have been prepared and structurally characterized. The resulting noncovalent interactions have been examined and compared to other examples in the literature. The nature of these interactions is determined by the cation so that when the alkyl groups are small, chalcogenide···chalcogenide interactions are present, but this "switches off" when R = n Pr and charge assisted U═O···H-C and S(e)···H-C hydrogen bonding remain the dominant interaction. Increasing the size of the chain to n Bu results in only S···H-C interactions. The spectroscopic implications of these chalcogenide interactions have been explored in the vibrational and photophysical properties of the series [R 4 N] 3 [UO 2 (NCS) 5 ] (R 4 = Me 4 , Et 4 , n Pr 4 , n Bu 4 , Me 3 Bz, Et 3 Bz), [R 4 N] 3 [UO 2 (NCSe) 5 ] (R 4 = Me 4 , n Pr 4 , Et 3 Bz) and [Et 4 N] 4 [UO 2 (NCSe) 5 ][NCSe]. The data suggest that U═O···H-C interactions are weak and do not perturb the uranyl moiety. While the chalcogenide interactions do not influence the photophysical properties, a coupling of the U═O and δ(NCS) or δ(NCSe) vibrational modes is observed in the 77 K solid state emission spectra. A theoretical examination of representative examples of Se···Se, C-H···Se, and C-H···O═U by molecular electrostatic potentials and NBO and AIM methodologies gives a deeper understanding of these weak interactions. C-H···Se are individually weak but C-H···O═U interactions are even weaker, supporting the idea that the -yl oxo's are weak Lewis bases. An Atoms in Molecules study suggests that the chalcogenide interaction is similar to lone pair···π or fluorine···fluorine interactions. An oxidation of the NCS ligands to form [(UO 2 )(SO 4 ) 2 (H 2 O) 4 ]·3H 2 O was also noted.

  5. Quantifying the binding strength of salicylaldoxime-uranyl complexes relative to competing salicylaldoxime-transition metal ion complexes in aqueous solution: a combined experimental and computational study.

    Science.gov (United States)

    Mehio, Nada; Ivanov, Alexander S; Williams, Neil J; Mayes, Richard T; Bryantsev, Vyacheslav S; Hancock, Robert D; Dai, Sheng

    2016-05-31

    The design of new ligands and investigation of UO2(2+) complexations are an essential aspect of reducing the cost of extracting uranium from seawater, improving the sorption efficiency for uranium and the selectivity for uranium over competing ions (such as the transition metal cations). The binding strengths of salicylaldoxime-UO2(2+) complexes were quantified for the first time and compared with the binding strengths of salicylic acid-UO2(2+) and representative amidoxime-UO2(2+) complexes. We found that the binding strengths of salicylaldoxime-UO2(2+) complexes are ∼2-4 log β2 units greater in magnitude than their corresponding salicylic acid-UO2(2+) and representative amidoxime-UO2(2+) complexes; moreover, the selectivity of salicylaldoxime towards the UO2(2+) cation over competing Cu(2+) and Fe(3+) cations is far greater than those reported for salicylic acid and glutarimidedioxime in the literature. The higher UO2(2+) selectivity can likely be attributed to the different coordination modes observed for salicylaldoxime-UO2(2+) and salicylaldoxime-transition metal complexes. Density functional theory calculations indicate that salicylaldoxime can coordinate with UO2(2+) as a dianion species formed by η(2) coordination of the aldoximate and monodentate binding of the phenolate group. In contrast, salicylaldoxime coordinates with transition metal cations as a monoanion species via a chelate formed between phenolate and the oxime N; the complexes are stabilized via hydrogen bonding interactions between the oxime OH group and phenolate. By coupling the experimentally determined thermodynamic constants and the results of theoretical computations, we are able to derive a number of ligand design principles to further improve the UO2(2+) cation affinity, and thus further increase the selectivity of salicylaldoxime derivatives.

  6. Theoretical Perspectives on the Internationalization of Firms

    DEFF Research Database (Denmark)

    Rask, Morten; Håkonsson, Dorthe Døjbak; Strandskov, Jesper

    2008-01-01

    assumptions. With the purpose of clarifying the potential for integration of partial theories and fragments in a more logically connected theoretical area, this article offers a meta-theoretical overview of four perspectives within international business economics: Research and its related background, basic...

  7. A course in theoretical physics

    CERN Document Server

    Shepherd, P J

    2013-01-01

    This book is a comprehensive account of five extended modules covering the key branches of twentieth-century theoretical physics, taught by the author over a period of three decades to students on bachelor and master university degree courses in both physics and theoretical physics. The modules cover nonrelativistic quantum mechanics, thermal and statistical physics, many-body theory, classical field theory (including special relativity and electromagnetism), and, finally, relativistic quantum mechanics and gauge theories of quark and lepton interactions, all presented in a single, self-contained volume. In a number of universities, much of the material covered (for example, on Einstein’s general theory of relativity, on the BCS theory of superconductivity, and on the Standard Model, including the theory underlying the prediction of the Higgs boson) is taught in postgraduate courses to beginning PhD students. A distinctive feature of the book is that full, step-by-step mathematical proofs of all essentia...

  8. Ion Colliders

    CERN Document Server

    Fischer, W

    2014-01-01

    High-energy ion colliders are large research tools in nuclear physics to study the Quark-Gluon-Plasma (QGP). The range of collision energy and high luminosity are important design and operational considerations. The experiments also expect flexibility with frequent changes in the collision energy, detector fields, and ion species. Ion species range from protons, including polarized protons in RHIC, to heavy nuclei like gold, lead and uranium. Asymmetric collision combinations (e.g. protons against heavy ions) are also essential. For the creation, acceleration, and storage of bright intense ion beams, limits are set by space charge, charge change, and intrabeam scattering effects, as well as beam losses due to a variety of other phenomena. Currently, there are two operating ion colliders, the Relativistic Heavy Ion Collider (RHIC) at BNL, and the Large Hadron Collider (LHC) at CERN.

  9. Ion ring compressor as a high-current ion accelerator

    International Nuclear Information System (INIS)

    Fleischmann, H.H.

    1977-01-01

    The acceleration of large amounts of protons to several hundred MeV by adiabatic magnetic compression of low-energy ion rings are discussed. This method is to be used in the Ion Ring Compressor approach to thermonuclear fusion. Results from present experimental and theoretical investigations and estimates indicate good overall chances for a technical and economic feasibility of such a system. The method of acceleration might be used to generate efficiently the rather large amounts of several hundred MeV hydrogen ions that will be needed in any economically significant electronuclear breeding scheme

  10. The Possible Role of Smoking and Mild Inflammation on Iron, Copper Ions and Related Metalloproteins in Male Volunteers Working in Radiation Field

    International Nuclear Information System (INIS)

    Bahgat, M.M.; Amer, M.M.; Michael, M.I.; El Daly, E.S.

    2009-01-01

    Oxidative stress implies that cells have intact pro-oxidant/anti-oxidant systems that continuously generate and detoxify oxidants during normal aerobic metabolism. When additional oxidative events occur, the pro-oxidant systems out balance the anti-oxidant, potentially producing oxidative damage to lipids, proteins, carbohydrates, and nucleic acids ultimately leading to cell death in severe oxidative stress. A disturbance in pro-oxidant/anti-oxidant systems results from a myriad of different oxidative challenges, including radiation, metabolism of environmental pollutants and administered drugs and immune system response to disease or infection. Forty male volunteers have participated in this study to evaluate the effect of smoking and mild infection on ferric and copper ions, related metalloproteins and glutathione peroxidase in males working in the radiation fields. The results denoted that those two stress ors added further imbalance in the pro oxidant-antioxidant status

  11. Recent US target-physics-related research in heavy-ion inertial fusion: simulations for tamped targets and for disk experiments in accelerator test facilities

    Energy Technology Data Exchange (ETDEWEB)

    Mark, J.W.K.

    1982-03-22

    Calculations suggest that experiments relating to disk heating, as well as beam deposition, focusing and transport can be performed within the context of current design proposals for accelerator test-facilities. Since the test-facilities have lower ion kinetic energy and beam pulse power as compared to reactor drivers, we achieve high-beam intensities at the focal spot by using short focal distance and properly designed beam optics. In this regard, the low beam emittance of suggested multi-beam designs are very useful. Possibly even higher focal spot brightness could be obtained by plasma lenses which involve external fields on the beam which is stripped to a higher charge state by passing through a plasma cell. Preliminary results suggest that intensities approx. 10/sup 13/ - 10/sup 14/ W/cm/sup 2/ are achievable. Given these intensities, deposition experiments with heating of disks to greater than a million degrees Kelvin (100 eV) are expected.

  12. Recent US target-physics-related research in heavy-ion inertial fusion: simulations for tamped targets and for disk experiments in accelerator test facilities

    International Nuclear Information System (INIS)

    Mark, J.W.K.

    1982-01-01

    Calculations suggest that experiments relating to disk heating, as well as beam deposition, focusing and transport can be performed within the context of current design proposals for accelerator test-facilities. Since the test-facilities have lower ion kinetic energy and beam pulse power as compared to reactor drivers, we achieve high-beam intensities at the focal spot by using short focal distance and properly designed beam optics. In this regard, the low beam emittance of suggested multi-beam designs are very useful. Possibly even higher focal spot brightness could be obtained by plasma lenses which involve external fields on the beam which is stripped to a higher charge state by passing through a plasma cell. Preliminary results suggest that intensities approx. 10 13 - 10 14 W/cm 2 are achievable. Given these intensities, deposition experiments with heating of disks to greater than a million degrees Kelvin (100 eV) are expected

  13. Intense negative heavy ion sources

    Science.gov (United States)

    Mori, Yoshiharu; Takagi, Akira; Ikegami, Kiyoshi; Ueno, Akira; Fukumoto, Sadayoshi

    1990-08-01

    Negative ion sources based on plasma-surface interactions (BLAKE ion source) have been developed at KEK for producing negative heavy ions. The first negative heavy ion source (BLAKE-II) was developed by modifying the ordinary negative hydrogen ion source with converter (BLAKE-I) placed into the plasma. It generates various species of negative heavy ions with intense beam currents. For example, a more than 10 mA Au- ion beam was obtained from the ion source. Recently, the large scaled negative heavy ion source (BLAKE-III) has been developed and in the preliminary test experiment, more than 100 mA Cu- ion beam has been stably obtained with a 10% duty factor in pulsed operation. The BLAKE-II ion source was attached to the BNL 15 MV and Tsukuba University TANDEM accelerators and large current negative heavy ion beams were successfully accelerated in pulsed mode operation. Also, it was found that the space charge effect should be carefully considered for such a large current acceleration in a tandem accelerator, especially at the injection beam line and low energy end. In order to examine the negative ion formation process fundamentally, negative ion production probability related on sputtered particle velocity was measured and the results showed exponential dependence of the production probability on particle velocity as Norskov and Lindquist's theory predicted.

  14. Theoretical Division progress report

    International Nuclear Information System (INIS)

    Cooper, N.G.

    1979-04-01

    This report presents highlights of activities in the Theoretical (T) Division from October 1976-January 1979. The report is divided into three parts. Part I presents an overview of the Division: its unique function at the Los Alamos Scientific Laboratory (LASL) and within the scientific community as a whole; the organization of personnel; the main areas of research; and a survey of recent T-Division initiatives. This overview is followed by a survey of the 13 groups within the Division, their main responsibilities, interests, and expertise, consulting activities, and recent scientific accomplisments. The remainder of the report, Parts II and III, is devoted to articles on selected research activities. Recent efforts on topics of immediate interest to energy and weapons programs at LASL and elsewhere are described in Part II, Major National Programs. Separate articles present T-Divison contributions to weapons research, reactor safety and reactor physics research, fusion research, laser isotope separation, and other energy research. Each article is a compilation of independent projects within T Division, all related to but addressing different aspects of the major program. Part III is organized by subject discipline, and describes recent scientific advances of fundamental interest. An introduction, defining the scope and general nature of T-Division efforts within a given discipline, is followed by articles on the research topics selected. The reporting is done by the scientists involved in the research, and an attempt is made to communicate to a general audience. Some data are given incidentally; more technical presentations of the research accomplished may be found among the 47 pages of references. 110 figures, 5 tables

  15. Electron-impact excitation of ions

    International Nuclear Information System (INIS)

    Crandall, D.H.

    1981-01-01

    A review of electron-ion beam experiments is given. Techniques, difficulties, and present trends in this area are discussed. Measured cross sections are compared with theoretical results and the current level of agreement is assessed. 74 references

  16. Analysis of S-adenosylmethionine and related sulfur metabolites in bacterial isolates of Pseudomonas aeruginosa (BAA-47) by liquid chromatography/electrospray ionization coupled to a hybrid linear quadrupole ion trap and Fourier transform ion cyclotron resonance mass spectrometry.

    Science.gov (United States)

    Cataldi, Tommaso R I; Bianco, Giuliana; Abate, Salvatore; Mattia, Daniela

    2009-11-01

    A comprehensive and highly selective method for detecting in bacterial supernatants a modified sulfur nucleoside, S-adenosyl-L-methionine (SAM), and its metabolites, i.e., S-adenosylhomocysteine (SAH), adenosine (Ado), 5'-deoxy-5'-methylthioadenosine (MTA), adenine (Ade), S-adenosyl-methioninamine (dcSAM), homocysteine (Hcy) and methionine (Met), was developed. The method is based on reversed-phase liquid chromatography with positive electrospray ionization (ESI+) coupled to a hybrid linear quadrupole ion trap (LTQ) and 7-T Fourier transform ion cyclotron resonance mass spectrometry (FTICRMS). A gradient elution was employed with a binary solvent of 0.05 M ammonium formate at pH 4 and acetonitrile. The assay involves a simultaneous cleanup of cell-free bacterial broths by solid-phase extraction and trace enrichment of metabolites with a 50-fold concentration factor by using immobilized phenylboronic and anion-exchange cartridges. While the quantitative determination of SAM was performed using stable-isotope-labeled SAM-d3 as an internal standard, in the case of Met and Ade, Met-13C and Ade-15N2 were employed as isotope-labeled internal standards, respectively. This method enabled the identification of SAM and its metabolites in cell-free culture of Pseudomonas aeruginosa grown in Davis minimal broth (formulation without sulphur organic compounds), with routine sub-ppm mass accuracies (-0.27 +/- 0.68 ppm). The resulting contents of S(C)S(S)-SAM, S(S)-dcSAM, MTA, Ado and Met in the free-cell supernatant of P. aeruginosa was 56.4 +/- 2.1 nM, 32.2 +/- 2.2 nM, 0.91 +/- 0.10 nM, 19.6 +/- 1.2 nM and 1.93 +/- 0.02 microM (mean +/- SD, n = 4 extractions), respectively. We report also the baseline separation (Rs > or = 1.5) of both diastereoisomeric forms of SAM (S(C)S(S) and S(C)R(S)) and dcSAM (S(S) and R(S)), which can be very useful to establish the relationship between the biologically active versus the inactive species, S(C)S(S)/S(C)R(S) and S(S)/R(S) of SAM and dc

  17. Graph Theory and Ion and Molecular Aggregation in Aqueous Solutions.

    Science.gov (United States)

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

    2018-04-20

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

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

    Science.gov (United States)

    Schneider, Ch; Porras, Diego; Schaetz, Tobias

    2012-02-01

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

  19. Some theoretical issues relating to the

    Directory of Open Access Journals (Sweden)

    Juan Ormeño Karzulovic

    2010-06-01

    Full Text Available En este artículo quiero criticar la idea de que la "memoria" deba ser considerada, ante todo o exclusivamente, como una "práctica social discursiva", que aparece en algunos discursos socioconstruccionistas. Asimismo, quiero defender la tesis de que el concepto "memoria" requiere de las actitudes mentales y las condiciones de verdad del lenguaje para ser correctamente entendido y usado en la psicología social con pleno derecho. Por ello, además, abogo por un entendimiento más amplio de lo que está implicado en el concepto de "práctica social".

  20. Information Theoretic Subspace Clustering.

    Science.gov (United States)

    He, Ran; Wang, Liang; Sun, Zhenan; Zhang, Yingya; Li, Bo

    2016-12-01

    This paper addresses the problem of grouping the data points sampled from a union of multiple subspaces in the presence of outliers. Information theoretic objective functions are proposed to combine structured low-rank representations (LRRs) to capture the global structure of data and information theoretic measures to handle outliers. In theoretical part, we point out that group sparsity-induced measures ( l 2,1 -norm, l α -norm, and correntropy) can be justified from the viewpoint of half-quadratic (HQ) optimization, which facilitates both convergence study and algorithmic development. In particular, a general formulation is accordingly proposed to unify HQ-based group sparsity methods into a common framework. In algorithmic part, we develop information theoretic subspace clustering methods via correntropy. With the help of Parzen window estimation, correntropy is used to handle either outliers under any distributions or sample-specific errors in data. Pairwise link constraints are further treated as a prior structure of LRRs. Based on the HQ framework, iterative algorithms are developed to solve the nonconvex information theoretic loss functions. Experimental results on three benchmark databases show that our methods can further improve the robustness of LRR subspace clustering and outperform other state-of-the-art subspace clustering methods.

  1. Identification of stopping ions in a silicon Timepix detector

    Science.gov (United States)

    Stoffle, Nicholas; Pinsky, Lawrence

    2018-02-01

    Timepix detectors are increasingly used in space-based applications. Such detectors are low power, low mass, and provide a wealth of information necessary for characterizing the ionizing radiation environment in space for both humans and hardware. Stopping ions are shown to contribute to the energy loss spectrum in a thin, pixelated, Timepix detector, and this energy loss is shown to contribute to the LET spectrum near 14 keV/micron. Bulk data also indicates the presence of Hydrogen isotopes in the energy loss spectra. Individual track analysis can be used to identify the stopping ions and the related energy and isotope through comparison with theoretical energy loss curves. While this calculation is specific to the Timepix, the impact of stopping ions on other instruments can be estimated using the insight gained from this approach.

  2. High current ion sources

    International Nuclear Information System (INIS)

    Brown, I.G.

    1989-06-01

    The concept of high current ion source is both relative and evolutionary. Within the domain of one particular kind of ion source technology a current of microamperers might be 'high', while in another area a current of 10 Amperes could 'low'. Even within the domain of a single ion source type, what is considered high current performance today is routinely eclipsed by better performance and higher current output within a short period of time. Within their fields of application, there is a large number of kinds of ion sources that can justifiably be called high current. Thus, as a very limited example only, PIGs, Freemen sources, ECR sources, duoplasmatrons, field emission sources, and a great many more all have their high current variants. High current ion beams of gaseous and metallic species can be generated in a number of different ways. Ion sources of the kind developed at various laboratories around the world for the production of intense neutral beams for controlled fusion experiments are used to form large area proton deuteron beams of may tens of Amperes, and this technology can be used for other applications also. There has been significant progress in recent years in the use of microwave ion sources for high current ion beam generation, and this method is likely to find wide application in various different field application. Finally, high current beams of metal ions can be produced using metal vapor vacuum arc ion source technology. After a brief consideration of high current ion source design concepts, these three particular methods are reviewed in this paper

  3. Theoretical research relating to excitation spectrum of furan. Application of integral direct coupled cluster linear response (direct CCLR) method; Furan no reiki supekutoru ni kansuru ronriteki kenkyu. Integral-direct Coupled Cluster Linear Response (direct CCLR) ho no tekiyo

    Energy Technology Data Exchange (ETDEWEB)

    Shigemitsu, Yasuhiro. [Nagasaki Industrial Technology Center, Nagasaki (Japan)

    1999-07-01

    heoretical researches relating to excitation spectrum of furan have been carried out for many years, and they reveal the problems that should be solved in order to predict highly reliable excitation energy. In general, it is difficult to uniformly obtain highly reliable calculation results for all excitation states since different excitation states show different electronic correlative effects. Means for obtaining the electron states in ground state and excited state and calculating the energy difference thereof is the mainstream of the theoretical calculation of the excitation energy. CASSCF/CASPT 2 developed by Roos et al. is a typical method excellent in quantitative description. Recently, the comparison between direct CCLR and CASSCF/CASPT 2 as examples for calculating the excitation spectrum of furan was carried out by using the same ground function. For Rydberg excitation, CC3, CAS, CASPT 2 show good agreement with each other. (NEDO)

  4. 0.5 to 6 MeV Ar ion induced X-ray emission in view to analytical application

    International Nuclear Information System (INIS)

    Tenorio Castilleros, M.D.

    1979-01-01

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

  5. Ion colliders

    International Nuclear Information System (INIS)

    Fischer, W.

    2010-01-01

    Ion colliders are research tools for high-energy nuclear physics, and are used to test the theory of Quantum Chromo Dynamics (QCD). The collisions of fully stripped high-energy ions create matter of a temperature and density that existed only microseconds after the Big Bang. Ion colliders can reach higher densities and temperatures than fixed target experiments although at a much lower luminosity. The first ion collider was the CERN Intersecting Storage Ring (ISR), which collided light ions (77Asb1, 81Bou1). The BNL Relativistic Heavy Ion Collider (RHIC) is in operation since 2000 and has collided a number of species at numerous energies. The CERN Large Hadron Collider (LHC) started the heavy ion program in 2010. Table 1 shows all previous and the currently planned running modes for ISR, RHIC, and LHC. All three machines also collide protons, which are spin-polarized in RHIC. Ion colliders differ from proton or antiproton colliders in a number of ways: the preparation of the ions in the source and the pre-injector chain is limited by other effects than for protons; frequent changes in the collision energy and particle species, including asymmetric species, are typical; and the interaction of ions with each other and accelerator components is different from protons, which has implications for collision products, collimation, the beam dump, and intercepting instrumentation devices such a profile monitors. In the preparation for the collider use the charge state Z of the ions is successively increased to minimize the effects of space charge, intrabeam scattering (IBS), charge change effects (electron capture and stripping), and ion-impact desorption after beam loss. Low charge states reduce space charge, intrabeam scattering, and electron capture effects. High charge states reduce electron stripping, and make bending and acceleration more effective. Electron stripping at higher energies is generally more efficient. Table 2 shows the charge states and energies in the

  6. Ion colliders

    Energy Technology Data Exchange (ETDEWEB)

    Fischer, W.

    2011-12-01

    Ion colliders are research tools for high-energy nuclear physics, and are used to test the theory of Quantum Chromo Dynamics (QCD). The collisions of fully stripped high-energy ions create matter of a temperature and density that existed only microseconds after the Big Bang. Ion colliders can reach higher densities and temperatures than fixed target experiments although at a much lower luminosity. The first ion collider was the CERN Intersecting Storage Ring (ISR), which collided light ions [77Asb1, 81Bou1]. The BNL Relativistic Heavy Ion Collider (RHIC) is in operation since 2000 and has collided a number of species at numerous energies. The CERN Large Hadron Collider (LHC) started the heavy ion program in 2010. Table 1 shows all previous and the currently planned running modes for ISR, RHIC, and LHC. All three machines also collide protons, which are spin-polarized in RHIC. Ion colliders differ from proton or antiproton colliders in a number of ways: the preparation of the ions in the source and the pre-injector chain is limited by other effects than for protons; frequent changes in the collision energy and particle species, including asymmetric species, are typical; and the interaction of ions with each other and accelerator components is different from protons, which has implications for collision products, collimation, the beam dump, and intercepting instrumentation devices such a profile monitors. In the preparation for the collider use the charge state Z of the ions is successively increased to minimize the effects of space charge, intrabeam scattering (IBS), charge change effects (electron capture and stripping), and ion-impact desorption after beam loss. Low charge states reduce space charge, intrabeam scattering, and electron capture effects. High charge states reduce electron stripping, and make bending and acceleration more effective. Electron stripping at higher energies is generally more efficient. Table 2 shows the charge states and energies in the

  7. Topics in Theoretical Physics

    Energy Technology Data Exchange (ETDEWEB)

    Cohen, Andrew [Boston Univ., MA (United States); Schmaltz, Martin [Boston Univ., MA (United States); Katz, Emmanuel [Boston Univ., MA (United States); Rebbi, Claudio [Boston Univ., MA (United States); Glashow, Sheldon [Boston Univ., MA (United States); Brower, Richard [Boston Univ., MA (United States); Pi, So-Young [Boston Univ., MA (United States)

    2016-09-30

    This award supported a broadly based research effort in theoretical particle physics, including research aimed at uncovering the laws of nature at short (subatomic) and long (cosmological) distances. These theoretical developments apply to experiments in laboratories such as CERN, the facility that operates the Large Hadron Collider outside Geneva, as well as to cosmological investigations done using telescopes and satellites. The results reported here apply to physics beyond the so-called Standard Model of particle physics; physics of high energy collisions such as those observed at the Large Hadron Collider; theoretical and mathematical tools and frameworks for describing the laws of nature at short distances; cosmology and astrophysics; and analytic and computational methods to solve theories of short distance physics. Some specific research accomplishments include + Theories of the electroweak interactions, the forces that give rise to many forms of radioactive decay; + Physics of the recently discovered Higgs boson. + Models and phenomenology of dark matter, the mysterious component of the universe, that has so far been detected only by its gravitational effects. + High energy particles in astrophysics and cosmology. + Algorithmic research and Computational methods for physics of and beyond the Standard Model. + Theory and applications of relativity and its possible limitations. + Topological effects in field theory and cosmology. + Conformally invariant systems and AdS/CFT. This award also supported significant training of students and postdoctoral fellows to lead the research effort in particle theory for the coming decades. These students and fellows worked closely with other members of the group as well as theoretical and experimental colleagues throughout the physics community. Many of the research projects funded by this grant arose in response to recently obtained experimental results in the areas of particle physics and cosmology. We describe a few of

  8. Frequency threshold for ion beam formation in expanding RF plasma

    Science.gov (United States)

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

    2008-11-01

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

  9. Evaluation of the relative thermoluminescence efficiency of LiF:Mg,Ti and LiF:Mg,Cu,P TL detectors to low-energy heavy ions

    DEFF Research Database (Denmark)

    Gieszczyk, W.; Bilski, P.; Olko, P.

    2013-01-01

    and xenon ion beams, at energies ranging from 5.0 to 9.3 MeV/n. Supra- and sublinear response was found, for the MTS-N and MCP-N, respectively, similarly as observed for γ-rays. However, the level of nonlinearity of response of studied detectors is strongly reduced by increasing values of the ion ionization...... density (no supralinearity for Xe ions, for MTS-N, within calculated uncertainties). The growth of high-temperature TL peaks, with increasing ionization density, was observed for MCP-N, what was not previously reported. At the whole range of applied energies higher efficiencies were noted for MTS......-N, for all ion species. A decrease of the efficiency with decrease of the ion energy was confirmed, for both types of studied detectors. At a given energy, higher efficiency was observed for lighter ions, because of the lower ionization density. Significantly higher decrease of the efficiency was measured...

  10. Ni(ii) ions cleave and inactivate human alpha-1 antitrypsin hydrolytically, implicating nickel exposure as a contributing factor in pathologies related to antitrypsin deficiency.

    Science.gov (United States)

    Wezynfeld, Nina Ewa; Bonna, Arkadiusz; Bal, Wojciech; Frączyk, Tomasz

    2015-04-01

    Human alpha-1 antitrypsin (AAT) is an abundant serum protein present at a concentration of 1.0-1.5 g L(-1). AAT deficiency is a genetic disease that manifests with emphysema and liver cirrhosis due to the accumulation of a misfolded AAT mutant in hepatocytes. Lung AAT amount is inversely correlated with chronic obstructive pulmonary disease (COPD), a serious and often deadly condition, with increasing frequency in the aging population. Exposure to cigarette smoke and products of fossil fuel combustion aggravates AAT deficiency and COPD according to mechanisms that are not fully understood. Taking into account that these fumes contain particles that can release nickel to human airways and skin, we decided to investigate interactions of AAT with Ni(ii) ions within the paradigm of Ni(ii)-dependent peptide bond hydrolysis. We studied AAT protein derived from human blood using HPLC, SDS-PAGE, and mass spectrometry. These studies were aided by spectroscopic experiments on model peptides. As a result, we identified three hydrolysis sites in AAT. Two of them are present in the N-terminal part of the molecule next to each other (before Thr-13 and Ser-14 residues) and effectively form one N-terminal cleavage site. The single C-terminal cleavage site is located before Ser-285. The N-terminal hydrolysis was more efficient than the C-terminal one, but both abolished the ability of AAT to inhibit trypsin in an additive manner. Nickel ions bound to hydrolysis products demonstrated an ability to generate ROS. These results implicate Ni(ii) exposure as a contributing factor in AAT-related pathologies.

  11. Theoretical Thinking vs Theorization in Translation

    OpenAIRE

    Mine Yazıcı

    2015-01-01

    Since translation concerns all disciplines, we may ask whether it is possible to conduct theoretical research peculiar to translations, or to what extent theoretical thinking is possible in a field of study which has a nexus of complex relations with other disciplines. We can answer these questions if we understand why we have a recourse to theorization in translation. Since the defining feature of theory as a complex set of relations overlaps with the concept of translation, they both involv...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1990-01-01

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

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

    International Nuclear Information System (INIS)

    Guasp, J.

    1995-01-01

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

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

    International Nuclear Information System (INIS)

    Guasp, J.

    1995-09-01

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

  15. Determination of the Relative Amount of Fluorine in Uranium Oxyfluoride Particles using Secondary Ion Mass Spectrometry and Optical Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kips, R; Kristo, M J; Hutcheon, I D; Amonette, J; Wang, Z; Johnson, T; Gerlach, D; Olsen, K B

    2009-05-29

    Both nuclear forensics and environmental sampling depend upon laboratory analysis of nuclear material that has often been exposed to the environment after it has been produced. It is therefore important to understand how those environmental conditions might have changed the chemical composition of the material over time, particularly for chemically sensitive compounds. In the specific case of uranium enrichment facilities, uranium-bearing particles stem from small releases of uranium hexafluoride, a highly reactive gas that hydrolyzes upon contact with moisture from the air to form uranium oxyfluoride (UO{sub 2}F{sub 2}) particles. The uranium isotopic composition of those particles is used by the International Atomic Energy Agency (IAEA) to verify whether a facility is compliant with its declarations. The present study, however, aims to demonstrate how knowledge of time-dependent changes in chemical composition, particle morphology and molecular structure can contribute to an even more reliable interpretation of the analytical results. We prepared a set of uranium oxyfluoride particles at the Institute for Reference Materials and Measurements (IRMM, European Commission, Belgium) and followed changes in their composition, morphology and structure with time to see if we could use these properties to place boundaries on the particle exposure time in the environment. Because the rate of change is affected by exposure to UV-light, humidity levels and elevated temperatures, the samples were subjected to varying conditions of those three parameters. The NanoSIMS at LLNL was found to be the optimal tool to measure the relative amount of fluorine in individual uranium oxyfluoride particles. At PNNL, cryogenic laser-induced time-resolved U(VI) fluorescence microspectroscopy (CLIFS) was used to monitor changes in the molecular structure.

  16. Theoretical Chemistry Symposium 2006

    Indian Academy of Sciences (India)

    WINTEC

    This special issue of the Journal of Chemical Sciences contains 29 original papers presented at the Theoretical Chemistry Symposium (TCS 2006) held at Bharathi- dasan University during December 11–13, 2006. Earlier meetings on this theme were organized in various parts of the country viz. Chandigarh (1986), IIT ...

  17. Theoretical Computer Science

    DEFF Research Database (Denmark)

    2002-01-01

    The proceedings contains 8 papers from the Conference on Theoretical Computer Science. Topics discussed include: query by committee, linear separation and random walks; hardness results for neural network approximation problems; a geometric approach to leveraging weak learners; mind change...... complexity of learning logic programs and avoiding coding tricks by hyperrobust learning....

  18. Riemann and Theoretical Physics

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 11; Issue 11. Riemann and Theoretical Physics. Joseph Samuel. General Article Volume 11 Issue 11 November 2006 pp 56-60. Fulltext. Click here to view fulltext PDF. Permanent link: http://www.ias.ac.in/article/fulltext/reso/011/11/0056-0060. Keywords.

  19. Ion temperature via laser scattering on ion Bernstein waves

    International Nuclear Information System (INIS)

    Wurden, G.A.; Ono, M.; Wong, K.L.

    1981-10-01

    Hydrogen ion temperature has been measured in a warm toroidal plasma with externally launched ion Bernstein waves detected by heterodyne CO 2 laser scattering. Radial scanning of the laser beam allows precise determination of k/sub perpendicular to/ for the finite ion Larmor radius wave (ω approx. less than or equal to 2Ω/sub i/). Knowledge of the magnetic field strength and ion concentration then give a radially resolved ion temperature from the dispersion relation. Probe measurements and Doppler broadening of ArII 4806A give excellent agreement

  20. 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.

  1. Some developments in polarized ion sources

    International Nuclear Information System (INIS)

    Witteveen, G.J.

    1979-01-01

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

  2. Targeted liquid chromatography quadrupole ion trap mass spectrometry analysis of tachykinin related peptides reveals significant expression differences in a rat model of neuropathic pain.

    Science.gov (United States)

    Pailleux, Floriane; Vachon, Pascal; Lemoine, Jérôme; Beaudry, Francis

    2013-08-01

    Animal models are widely used to perform basic scientific research in pain. The rodent chronic constriction injury (CCI) model is widely used to study neuropathic pain. Animals were tested prior and after CCI surgery using behavioral tests (von Frey filaments and Hargreaves test) to evaluate pain. The brain and the lumbar enlargement of the spinal cord were collected from neuropathic and normal animals. Tachykinin related peptides were analyzed by high performance liquid chromatography quadrupole ion trap mass spectrometry. Our results reveal that the β-tachykinin₅₈₋₇₁, SP and SP₃₋₁₁ up-regulation are closely related to pain behavior. The spinal β-tachykinin₅₈₋₇₁, SP and SP₃₋₁₁ concentrations were significantly up-regulated in neuropathic animals compared with normal animals (ptachykinin₅₈₋₇₁ and SP concentrations were significantly up-regulated (ptachykinin₅₈₋₇₁, SP₁₋₇ and SP₆₋₁₁ (p>0.05). The β-tachykinin₅₈₋₇₁, SP and C-terminal SP metabolites could potentially serve as biomarkers in early drug discovery. Copyright © 2013 Elsevier Ltd. All rights reserved.

  3. Plasma-surface interaction at sharp edges and corners during ion-assisted physical vapor deposition. Part I: Edge-related effects and their influence on coating morphology and composition

    International Nuclear Information System (INIS)

    Macak, E.B.; Muenz, W.-D.; Rodenburg, J.M.

    2003-01-01

    Ion-assisted physical vapor deposition (PVD) is a common industrial method for growing thin coatings of various interstitial nitride alloys. The interaction between the ions and three-dimensional nonflat samples during the deposition can, however, lead to unwanted local changes in the properties of the coating and thus its performance. We analyze the characteristics of the ion bombardment during ion-assisted PVD on sharp convex substrates and their effect on the growing coating. We show that the magnitude and the spatial extent of the edge-related changes are directly related to the characteristics of the plasma sheath around the biased edges. We examine the influence of the edge geometry and the deposition conditions. The edge-related effects are studied on the example of wedge-shaped samples coated with TiAlN/VN by closed-field unbalanced magnetron deposition process using high-flux low-energy Ar + -ion irradiation (J i /J me ∼4, E i =75-150 eV). The samples are analyzed by scanning electron microscopy and energy-dispersive x-ray spectroscopy. Significant changes in the morphology, thickness, and composition of the coatings are found in the edge region. In order to account for the changes, we apply a self-consistent model of the plasma sheath around wedge-shaped samples proposed by Watterson [J. Phys. D 22, 1300 (1989)], to our conditions. For a 30 deg. wedge coated at -150 V, the resputtering rate in the edge region is found to be increased by up to ten times as compared to flat substrate areas. The effect is due to the combined action of an increased ion flux and increased sputtering yield as a result of the nonperpendicular angle of incidence of ions in the edge region. The situation at sharp corners, where even more severe effects are observed, is analyzed and modeled in the companion article E. B. Macak et al., J. Appl. Phys. (2003) (Part II)

  4. Measurement of ultra-low ion energy of decelerated ion beam using a deflecting electric field

    Energy Technology Data Exchange (ETDEWEB)

    Thopan, P.; Suwannakachorn, D.; Tippawan, U. [Plasma and Beam Physics Research Facility, Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Yu, L.D., E-mail: yuld@thep-center.org [Plasma and Beam Physics Research Facility, Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Thailand Center of Excellence in Physics, Commission on Higher Education, 328 Si Ayutthaya Road, Bangkok 10400 (Thailand)

    2015-12-15

    In investigation on ultra-low-energy ion bombardment effect on DNA, an ion beam deceleration lens was developed for high-quality ultra-low-energy ion beam. Measurement of the ion energy after deceleration was necessary to confirm the ion beam really decelerated as theoretically predicted. In contrast to conventional methods, this work used a simple deflecting electrostatic field after the deceleration lens to bend the ion beam. The beam bending distance depended on the ion energy and was described and simulated. A system for the measurement of the ion beam energy was constructed. It consisted of a pair of parallel electrode plates to generate the deflecting electrical field, a copper rod measurement piece to detect ion beam current, a vernier caliper to mark the beam position, a stepping motor to translate the measurement rod, and a webcam-camera to read the beam bending distance. The entire system was installed after the ion-beam deceleration lens inside the large chamber of the bioengineering vertical ion beam line. Moving the measurement rod across the decelerated ion beam enabled to obtain beam profiles, from which the beam bending distance could be known and the ion beam energy could be calculated. The measurement results were in good agreement with theoretical and simulated results.

  5. ion irradiation

    Indian Academy of Sciences (India)

    Swift heavy ions interact predominantly through inelastic scattering while traversing any polymer medium and produce excited/ionized atoms. Here samples of the polycarbonate Makrofol of approximate thickness 20 m, spin coated on GaAs substrate were irradiated with 50 MeV Li ion (+3 charge state). Build-in ...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2004-06-16

    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{sup 2} was obtained under the same conditions that gave 57 45 mA/cm{sup 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{sup -} 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{sup 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.

  7. The Effect of Irradiation of Fe and Ar Ion on the Surface Morphology of Diamond Thin Film Related to the Magnetoresistance Property

    Directory of Open Access Journals (Sweden)

    Salim Mustofa

    2016-08-01

    Full Text Available The irradiation of Fe and Ar ion was applied on the surface of diamond/Si thin film to know its effect on the morphology of thin film.The magnetoresistance property was also studied. Ion irradiation treatment using Fe ion followed by argon ion at the energy of 70 keV and a dose of 1 x 1015 ion/cm2 have been conducted on the surface of two types of thin film, diamond/Si (111 and diamond/Si(100. Both thin films were made by using a CVD method, and the thickness of the thin film is 1000-nm. From simulations using the software called Stopping and Range of Ions in Matter (SRIM, it is known that Fe and Argon ion penetration into the surface of the thin film are respectively 512 and 603 Angstroms. After that the thin film sample was irradiated with ion Fe and Ar, and the property behavior of the morphological change of thin film were studied through Scanning Electron Microscopy (SEM and Atomic Force Microscopy (AFM. The grain size range of thin filmon diamond films / Si (100 was reduced from 115-322 nm to 147-169 nm, suggesting the effect of irradiation on the surface morphology. The magnetoresistance property is approximately 0.15% at room temperature and magnetic field external H = 0.8 Tesla.

  8. Theoretical atomic physics

    CERN Document Server

    Friedrich, Harald

    2017-01-01

    This expanded and updated well-established textbook contains an advanced presentation of quantum mechanics adapted to the requirements of modern atomic physics. It includes topics of current interest such as semiclassical theory, chaos, atom optics and Bose-Einstein condensation in atomic gases. In order to facilitate the consolidation of the material covered, various problems are included, together with complete solutions. The emphasis on theory enables the reader to appreciate the fundamental assumptions underlying standard theoretical constructs and to embark on independent research projects. The fourth edition of Theoretical Atomic Physics contains an updated treatment of the sections involving scattering theory and near-threshold phenomena manifest in the behaviour of cold atoms (and molecules). Special attention is given to the quantization of weakly bound states just below the continuum threshold and to low-energy scattering and quantum reflection just above. Particular emphasis is laid on the fundamen...

  9. Concluding theoretical remarks

    International Nuclear Information System (INIS)

    Ellis, J.

    1986-01-01

    My task in this talk is to review the happenings of this workshop from a theoretical perspective, and to emphasize lines for possible future research. My remarks are organized into a theoretical overview of the what, why, (mainly the hierarchy problem) how, (supersymmetry must be broken: softly or spontaneously, and if the latter, by means of a new U tilde(1) gauge group or through the chiral superfields) when (how heavy are supersymmetric partner particles in different types of theories) and where (can one find evidence for) supersymmetry. In the last part are discussed various ongoing and future searches for photinos γ tilde, gravitinos G tilde, the U vector boson, shiggses H tilde, squarks q tilde and sleptons l tilde, gluinos g tilde, winos W tilde and other gauginos, as well as hunts for indirect effects of supersymmetry, such as for example in baryon decay. Finally there is a little message of encouragement to our experimental colleagues, based on historical precedent. (orig.)

  10. Compendium of theoretical physics

    CERN Document Server

    Wachter, Armin

    2006-01-01

    Mechanics, Electrodynamics, Quantum Mechanics, and Statistical Mechanics and Thermodynamics comprise the canonical undergraduate curriculum of theoretical physics. In Compendium of Theoretical Physics, Armin Wachter and Henning Hoeber offer a concise, rigorous and structured overview that will be invaluable for students preparing for their qualifying examinations, readers needing a supplement to standard textbooks, and research or industrial physicists seeking a bridge between extensive textbooks and formula books. The authors take an axiomatic-deductive approach to each topic, starting the discussion of each theory with its fundamental equations. By subsequently deriving the various physical relationships and laws in logical rather than chronological order, and by using a consistent presentation and notation throughout, they emphasize the connections between the individual theories. The reader’s understanding is then reinforced with exercises, solutions and topic summaries. Unique Features: Every topic is ...

  11. MARKETING MIX THEORETICAL ASPECTS

    OpenAIRE

    Margarita Išoraitė

    2016-01-01

    Aim of article is to analyze marketing mix theoretical aspects. The article discusses that marketing mix is one of the main objectives of the marketing mix elements for setting objectives and marketing budget measures. The importance of each element depends not only on the company and its activities, but also on the competition and time. All marketing elements are interrelated and should be seen in the whole of their actions. Some items may have greater importance than others; it depends main...

  12. 3. Theoretical Physics Division

    International Nuclear Information System (INIS)

    For the period September 1980 - Aug 1981, the studies in theoretical physics divisions have been compiled under the following headings: in nuclear physics, nuclear structure, nuclear reactions and intermediate energies; in particle physics, NN and NantiN interactions, dual topological unitarization, quark model and quantum chromodynamics, classical and quantum field theories, non linear integrable equations and topological preons and Grand unified theories. A list of publications, lectures and meetings is included [fr

  13. Lithium ion storage between graphenes

    Directory of Open Access Journals (Sweden)

    Chan Yue

    2011-01-01

    Full Text Available Abstract In this article, we investigate the storage of lithium ions between two parallel graphene sheets using the continuous approximation and the 6-12 Lennard-Jones potential. The continuous approximation assumes that the carbon atoms can be replaced by a uniform distribution across the surface of the graphene sheets so that the total interaction potential can be approximated by performing surface integrations. The number of ion layers determines the major storage characteristics of the battery, and our results show three distinct ionic configurations, namely single, double, and triple ion forming layers between graphenes. The number densities of lithium ions between the two graphenes are estimated from existing semi-empirical molecular orbital calculations, and the graphene sheets giving rise to the triple ion layers admit the largest storage capacity at all temperatures, followed by a marginal decrease of storage capacity for the case of double ion layers. These two configurations exceed the maximum theoretical storage capacity of graphite. Further, on taking into account the charge-discharge property, the double ion layers are the most preferable choice for enhanced lithium storage. Although the single ion layer provides the least charge storage, it turns out to be the most stable configuration at all temperatures. One application of the present study is for the design of future high energy density alkali batteries using graphene sheets as anodes for which an analytical formulation might greatly facilitate rapid computational results.

  14. Theoretical developments in SUSY

    Energy Technology Data Exchange (ETDEWEB)

    Shifman, M. [University of Minnesota, William I. Fine Theoretical Physics Institute, Minneapolis, MN (United States)

    2009-01-15

    I am proud that I was personally acquainted with Julius Wess. We first met in 1999 when I was working on the Yuri Golfand Memorial Volume (The Many Faces of the Superworld, World Scientific, Singapore, 2000). I invited him to contribute, and he accepted this invitation with enthusiasm. After that, we met many times, mostly at various conferences in Germany and elsewhere. I was lucky to discuss with Julius questions of theoretical physics, and hear his recollections on how supersymmetry was born. In physics Julius was a visionary, who paved the way to generations of followers. In everyday life he was a kind and modest person, always ready to extend a helping hand to people who were in need of his help. I remember him telling me how concerned he was about the fate of theoretical physicists in Eastern Europe after the demise of communism. His ties with Israeli physicists bore a special character. I am honored by the opportunity to contribute an article to the Julius Wess Memorial Volume. I review theoretical developments of the recent years in non-perturbative supersymmetry. (orig.)

  15. Theoretical Developments in SUSY

    Science.gov (United States)

    Shifman, M.

    2009-01-01

    I am proud that I was personally acquainted with Julius Wess. We first met in 1999 when I was working on the Yuri Golfand Memorial Volume (The Many Faces of the Superworld, World Scientific, Singapore, 2000). I invited him to contribute, and he accepted this invitation with enthusiasm. After that, we met many times, mostly at various conferences in Germany and elsewhere. I was lucky to discuss with Julius questions of theoretical physics, and hear his recollections on how supersymmetry was born. In physics Julius was a visionary, who paved the way to generations of followers. In everyday life he was a kind and modest person, always ready to extend a helping hand to people who were in need of his help. I remember him telling me how concerned he was about the fate of theoretical physicists in Eastern Europe after the demise of communism. His ties with Israeli physicists bore a special character. I am honored by the opportunity to contribute an article to the Julius Wess Memorial Volume. I will review theoretical developments of the recent years in non-perturbative supersymmetry.

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

    Science.gov (United States)

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

    2018-04-23

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

  17. Confirmatory analysis method for zeranol, its metabolites and related mycotoxins in urine by liquid chromatography-negative ion electrospray tandem mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Bennekom, E.O. van; Brouwer, L.; Laurant, E.H.M.; Hooijerink, H.; Nielen, M.W.F

    2002-11-25

    The determination of the banned anabolic substance zeranol and the metabolites taleranol and zearalanone in bovine urine is complicated by the occurrence of the structurally-related mycotoxin zearalenone and the corresponding {alpha}- and {beta}-zearalenol metabolites which possess similar estrogenic properties. A liquid chromatography-negative ion electrospray tandem mass spectrometric method is presented for the confirmatory analysis of all six resorcylic acid lactones ('zeranols') in urine samples using deuterium-labelled internal standards. The method was validated as a confirmatory method for bovine urine samples according to new draft EU guidelines and showed good precision and linearity, and CC{alpha} and CC{beta} values of 0.02-0.30 and <1.0 ng ml{sup -1}, respectively. The applicability was demonstrated by comparing the results of an incurred sample with previous results on the same sample obtained by gas chromatography high resolution mass spectrometry. Preliminary data show that following a simple matrix solid phase dispersion clean-up, liver samples from poultry will be amenable to this method as well.

  18. Theoretical clarity is not “Manicheanism”

    DEFF Research Database (Denmark)

    Hjørland, Birger

    2011-01-01

    It is argued that in order to establish a new theoretical approach to information science it is necessary to express disagreement with some established views. The “social turn” in information science is not just exemplified in relation to the works of Marcia Bates but in relation to many different...... researchers in the field. Therefore it should not be taken personally, and the debate should focus on the substance. Marcia Bates has contributed considerably to information science. In spite of this some of her theoretical points of departure may be challenged. It is important to seek theoretical clarity...... and this may involve a degree of schematic confrontation that should not be confused with theoretical one-sidedness, “Manicheanism” or lack of respect....

  19. The 1989 progress report: theoretical Physics

    International Nuclear Information System (INIS)

    Laval, G.

    1989-01-01

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

  20. Theoretical nuclear structure and astrophysics at FAIR

    International Nuclear Information System (INIS)

    Rodríguez, Tomás R

    2014-01-01

    Next generation of radioactive ion beam facilities like FAIR will open a bright future for nuclear structure and nuclear astrophysics research. In particular, very exotic nuclei (mainly neutron rich) isotopes will be produced and a lot of new exciting experimental data will help to test and improve the current nuclear models. In addition, these data (masses, reaction cross sections, beta decay half-lives, etc.) combined with the development of better theoretical approaches will be used as the nuclear physics input for astrophysical simulations. In this presentation I will review some of the state-of-the-art nuclear structure methods and their applications.